Tests - by Species




Tests in the OpenKIM Repository

Each "test" is a specific property for a specific material system for a given material property class (e.g. the {111} surface energy of fcc Cu). Click for more information.

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Ac
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Ac__TE_050834249755_004 Cohesive energy versus lattice constant curve for bcc Ac v004
CohesiveEnergyVsLatticeConstant_diamond_Ac__TE_963524063708_004 Cohesive energy versus lattice constant curve for diamond Ac v004
CohesiveEnergyVsLatticeConstant_fcc_Ac__TE_067209321867_004 Cohesive energy versus lattice constant curve for fcc Ac v004
CohesiveEnergyVsLatticeConstant_sc_Ac__TE_219415807771_004 Cohesive energy versus lattice constant curve for sc Ac v004
ElasticConstantsCubic_bcc_Ac__TE_791391749243_006 Elastic constants for bcc Ac at zero temperature v006
ElasticConstantsCubic_diamond_Ac__TE_131828791317_001 Elastic constants for diamond Ac at zero temperature v001
ElasticConstantsCubic_fcc_Ac__TE_337313194876_006 Elastic constants for fcc Ac at zero temperature v006
ElasticConstantsCubic_sc_Ac__TE_877992095712_006 Elastic constants for sc Ac at zero temperature v006
ElasticConstantsHexagonal_hcp_Ac__TE_012650326727_004 Elastic constants for hcp Ac at zero temperature v004
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Actinium__TE_597964364715_000 Unconstrained equilibrium crystal structure and energy of Actinium expressed in CHARMM-GUI INTERFACE atom types and bonding v000
LatticeConstantCubicEnergy_bcc_Ac__TE_929921425793_007 Equilibrium zero-temperature lattice constant for bcc Ac v007
LatticeConstantCubicEnergy_diamond_Ac__TE_856625911340_007 Equilibrium zero-temperature lattice constant for diamond Ac v007
LatticeConstantCubicEnergy_fcc_Ac__TE_167170944316_007 Equilibrium zero-temperature lattice constant for fcc Ac v007
LatticeConstantCubicEnergy_sc_Ac__TE_413975143225_007 Equilibrium zero-temperature lattice constant for sc Ac v007
LatticeConstantHexagonalEnergy_hcp_Ac__TE_094108068829_005 Equilibrium lattice constants for hcp Ac v005
LinearThermalExpansionCoeff_fcc_Ac__TE_611064980563_002 Linear thermal expansion coefficient of fcc Ac at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Ac__TE_554395555112_004 Phonon dispersion relations for fcc Ac v004
StackingFaultFccCrystal_0bar_Ac__TE_567672586460_002 Stacking and twinning fault energies for fcc Ac v002
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ac__TE_053571950294_004 Broken-bond fit of high-symmetry surface energies in fcc Ac v004
VacancyFormationEnergyRelaxationVolume_fcc_Ac__TE_459886569229_001 Monovacancy formation energy and relaxation volume for fcc Ac
VacancyFormationMigration_fcc_Ac__TE_771023870349_001 Vacancy formation and migration energy for fcc Ac
Ag
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Ag__TE_776768886429_004 Cohesive energy versus lattice constant curve for bcc Ag v004
CohesiveEnergyVsLatticeConstant_diamond_Ag__TE_267703329770_004 Cohesive energy versus lattice constant curve for diamond Ag v004
CohesiveEnergyVsLatticeConstant_fcc_Ag__TE_295388173914_004 Cohesive energy versus lattice constant curve for fcc Ag v004
CohesiveEnergyVsLatticeConstant_sc_Ag__TE_229146981356_004 Cohesive energy versus lattice constant curve for sc Ag v004
DislocationCoreEnergyCubic_fcc_Ag_0p50p50_110__TE_057911926298_000 Dislocation core energy for fcc Ag computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 1, 0] v000
DislocationCoreEnergyCubic_fcc_Ag_0p50p50_1m12__TE_797567170218_000 Dislocation core energy for fcc Ag computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, -1, 2] v000
ElasticConstantsCubic_bcc_Ag__TE_800990874257_006 Elastic constants for bcc Ag at zero temperature v006
ElasticConstantsCubic_diamond_Ag__TE_427316224544_001 Elastic constants for diamond Ag at zero temperature v001
ElasticConstantsCubic_fcc_Ag__TE_058380161986_006 Elastic constants for fcc Ag at zero temperature v006
ElasticConstantsCubic_sc_Ag__TE_042440763055_006 Elastic constants for sc Ag at zero temperature v006
ElasticConstantsHexagonal_hcp_Ag__TE_568716778280_004 Elastic constants for hcp Ag at zero temperature v004
EquilibriumCrystalStructure_A2B11C4_hR34_167_c_cef_be_AgOTa__TE_737214925626_001 Equilibrium crystal structure and energy for AgOTa in AFLOW crystal prototype A2B11C4_hR34_167_c_cef_be v001
EquilibriumCrystalStructure_A2B3_cP10_224_b_d_AgO__TE_482879063541_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A2B3_cP10_224_b_d v002
EquilibriumCrystalStructure_A2B3_oF40_43_b_ab_AgO__TE_688808212627_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A2B3_oF40_43_b_ab v002
EquilibriumCrystalStructure_A2B_cP6_224_b_a_AgO__TE_603633842937_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A2B_cP6_224_b_a v002
EquilibriumCrystalStructure_A2B_hP3_164_d_a_AgO__TE_984062011706_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A2B_hP3_164_d_a v002
EquilibriumCrystalStructure_A2B_tI6_139_e_a_AgZr__TE_580675858509_002 Equilibrium crystal structure and energy for AgZr in AFLOW crystal prototype A2B_tI6_139_e_a v002
EquilibriumCrystalStructure_A3B4_mP14_14_ae_2e_AgO__TE_886292515942_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A3B4_mP14_14_ae_2e v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_AgPt__TE_411221961429_002 Equilibrium crystal structure and energy for AgPt in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_hP8_162_k_c_AgO__TE_074160167430_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A3B_hP8_162_k_c v002
EquilibriumCrystalStructure_A_cF4_225_a_Ag__TE_960680847270_002 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Ag__TE_902368553248_002 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_hP4_194_ac_Ag__TE_623825242062_002 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP4_194_ac v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_AgZr__TE_100353169113_002 Equilibrium crystal structure and energy for AgZr in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AgPt__TE_087834484653_002 Equilibrium crystal structure and energy for AgPt in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AgZr__TE_237176788523_002 Equilibrium crystal structure and energy for AgZr in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3C_hR10_161_a_b_a_AgOTa__TE_276761375880_001 Equilibrium crystal structure and energy for AgOTa in AFLOW crystal prototype AB3C_hR10_161_a_b_a v001
EquilibriumCrystalStructure_AB3C_hR10_167_a_e_b_AgOTa__TE_648757691734_001 Equilibrium crystal structure and energy for AgOTa in AFLOW crystal prototype AB3C_hR10_167_a_e_b v001
EquilibriumCrystalStructure_AB_cF8_216_a_c_AgO__TE_658026597165_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_mC8_15_a_e_AgO__TE_855356759796_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype AB_mC8_15_a_e v002
EquilibriumCrystalStructure_AB_mP8_14_ad_e_AgO__TE_302882425273_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype AB_mP8_14_ad_e v002
EquilibriumCrystalStructure_AB_tI32_88_cd_f_AgO__TE_645927723346_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype AB_tI32_88_cd_f v002
EquilibriumCrystalStructure_AB_tP4_129_c_c_AgZr__TE_429008975482_002 Equilibrium crystal structure and energy for AgZr in AFLOW crystal prototype AB_tP4_129_c_c v002
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Silver__TE_967841411038_000 Unconstrained equilibrium crystal structure and energy of Silver expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Silver__TE_314538851176_000 Unconstrained equilibrium crystal structure and energy of Silver expressed in PCFF-INTERFACE atom types and bonding v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ag__TE_599487327567_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ag v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ag__TE_991735270868_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ag v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ag__TE_921842941181_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ag v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ag__TE_912372587866_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ag v000
LatticeConstantCubicEnergy_bcc_Ag__TE_162589006162_007 Equilibrium zero-temperature lattice constant for bcc Ag v007
LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_007 Equilibrium zero-temperature lattice constant for diamond Ag v007
LatticeConstantCubicEnergy_fcc_Ag__TE_772075082810_007 Equilibrium zero-temperature lattice constant for fcc Ag v007
LatticeConstantCubicEnergy_sc_Ag__TE_222254896070_007 Equilibrium zero-temperature lattice constant for sc Ag v007
LatticeConstantHexagonalEnergy_hcp_Ag__TE_760885515687_005 Equilibrium lattice constants for hcp Ag v005
LinearThermalExpansionCoeff_fcc_Ag__TE_016048498506_002 Linear thermal expansion coefficient of fcc Ag at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Ag__TE_916421991486_004 Phonon dispersion relations for fcc Ag v004
StackingFaultFccCrystal_0bar_Ag__TE_802425246128_002 Stacking and twinning fault energies for fcc Ag v002
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ag__TE_069649486058_004 Broken-bond fit of high-symmetry surface energies in fcc Ag v004
VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_001 Monovacancy formation energy and relaxation volume for fcc Ag
VacancyFormationMigration_fcc_Ag__TE_930419041081_001 Vacancy formation and migration energy for fcc Ag
Al
Test Title
binary_alloy_elastic_constant_L12_AlNi3__TE_292837747871_000 Elastic constants of AlNi3 alloy in the L12 configuration
CohesiveEnergyVsLatticeConstant_bcc_Al__TE_320860761056_004 Cohesive energy versus lattice constant curve for bcc Al v004
CohesiveEnergyVsLatticeConstant_diamond_Al__TE_024193005713_004 Cohesive energy versus lattice constant curve for diamond Al v004
CohesiveEnergyVsLatticeConstant_fcc_Al__TE_380539271142_004 Cohesive energy versus lattice constant curve for fcc Al v004
CohesiveEnergyVsLatticeConstant_sc_Al__TE_549565909158_004 Cohesive energy versus lattice constant curve for sc Al v004
DislocationCoreEnergyCubic_fcc_Al_0p50p50_01m1__TE_685346507128_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [0, 1, -1] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_101__TE_298793802035_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 0, 1] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_110__TE_375766090666_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 1, 0] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_12m1__TE_358205467240_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 2, -1] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_13m2__TE_983697901686_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 3, -2] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_14m3__TE_829452103535_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 4, -3] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_15m4__TE_862215421614_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 5, -4] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_1m12__TE_359743349328_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, -1, 2] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_211__TE_649175099425_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [2, 1, 1] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_23m1__TE_409876834755_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [2, 3, -1] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_25m3__TE_332986418750_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [2, 5, -3] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_2m13__TE_391336218380_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [2, -1, 3] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_312__TE_627338264004_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, 1, 2] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_321__TE_497342291548_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, 2, 1] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_34m1__TE_419456257778_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, 4, -1] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_35m2__TE_962955305881_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, 5, -2] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_3m14__TE_247785916000_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, -1, 4] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_3m25__TE_680819956201_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, -2, 5] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_413__TE_549629314342_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [4, 1, 3] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_431__TE_001321907190_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [4, 3, 1] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_4m15__TE_902623833952_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [4, -1, 5] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_514__TE_773722512655_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [5, 1, 4] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_523__TE_578127001198_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [5, 2, 3] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_532__TE_047040839812_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [5, 3, 2] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_57m2__TE_203297550822_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [5, 7, -2] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_5m27__TE_992713108412_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [5, -2, 7] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_752__TE_040009201207_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [7, 5, 2] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_7m18__TE_739783202419_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [7, -1, 8] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_m11m2__TE_650336097388_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-1, 1, -2] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_m12m3__TE_829978698108_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-1, 2, -3] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_m13m4__TE_121337460944_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-1, 3, -4] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_m14m5__TE_181511564387_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-1, 4, -5] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_m17m8__TE_836282146909_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-1, 7, -8] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_m23m5__TE_649149087893_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-2, 3, -5] v000
DislocationCoreEnergyCubic_fcc_Al_0p50p50_m25m7__TE_574543762980_000 Dislocation core energy for fcc Al computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-2, 5, -7] v000
ElasticConstantsCubic_bcc_Al__TE_143620255826_006 Elastic constants for bcc Al at zero temperature v006
ElasticConstantsCubic_diamond_Al__TE_677832100573_001 Elastic constants for diamond Al at zero temperature v001
ElasticConstantsCubic_fcc_Al__TE_944469580177_006 Elastic constants for fcc Al at zero temperature v006
ElasticConstantsCubic_sc_Al__TE_566227372929_006 Elastic constants for sc Al at zero temperature v006
ElasticConstantsFirstStrainGradientNumerical_fcc_Al__TE_531821030293_000 Classical and first strain gradient elastic constants for fcc aluminum
ElasticConstantsHexagonal_hcp_Al__TE_064090254718_004 Elastic constants for hcp Al at zero temperature v004
EquilibriumCrystalStructure_A10B3_hP26_194_ahk_h_AlMn__TE_188364898751_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype A10B3_hP26_194_ahk_h v002
EquilibriumCrystalStructure_A10B_cF176_227_cfg_d_AlV__TE_323740066553_002 Equilibrium crystal structure and energy for AlV in AFLOW crystal prototype A10B_cF176_227_cfg_d v002
EquilibriumCrystalStructure_A11B4_aP15_2_a5i_2i_AlMn__TE_287373532778_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype A11B4_aP15_2_a5i_2i v002
EquilibriumCrystalStructure_A12B17_cI58_217_g_acg_AlMg__TE_719319890483_002 Equilibrium crystal structure and energy for AlMg in AFLOW crystal prototype A12B17_cI58_217_g_acg v002
EquilibriumCrystalStructure_A12B_cI26_204_g_a_AlMn__TE_587410593507_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype A12B_cI26_204_g_a v002
EquilibriumCrystalStructure_A12BC19_hP64_194_ab2fk_c_efh2k_AlCaO__TE_755412553249_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A12BC19_hP64_194_ab2fk_c_efh2k v001
EquilibriumCrystalStructure_A12BC27D4_hP44_147_2g_a_bd4g_2d_AlCaOSi__TE_048198231994_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A12BC27D4_hP44_147_2g_a_bd4g_2d v001
EquilibriumCrystalStructure_A13B4_oP102_31_17a11b_8a2b_AlCo__TE_373023624848_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype A13B4_oP102_31_17a11b_8a2b v002
EquilibriumCrystalStructure_A14B13_cI54_229_ef_ah_AlMg__TE_600340390354_002 Equilibrium crystal structure and energy for AlMg in AFLOW crystal prototype A14B13_cI54_229_ef_ah v002
EquilibriumCrystalStructure_A14B13_mC54_12_gh3ij_a2i2j_AlCa__TE_756836319246_001 Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A14B13_mC54_12_gh3ij_a2i2j v001
EquilibriumCrystalStructure_A16B7C6_cF116_225_2f_ad_e_AlNiTi__TE_710776990609_001 Equilibrium crystal structure and energy for AlNiTi in AFLOW crystal prototype A16B7C6_cF116_225_2f_ad_e v001
EquilibriumCrystalStructure_A19B4_cP138_200_efh2j2k2l_jk_AlMn__TE_616033237869_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype A19B4_cP138_200_efh2j2k2l_jk v002
EquilibriumCrystalStructure_A21B8_tI116_88_a5f_2f_AlPd__TE_376667022823_002 Equilibrium crystal structure and energy for AlPd in AFLOW crystal prototype A21B8_tI116_88_a5f_2f v002
EquilibriumCrystalStructure_A21B8_tI116_88_a5f_2f_AlPt__TE_723728311195_002 Equilibrium crystal structure and energy for AlPt in AFLOW crystal prototype A21B8_tI116_88_a5f_2f v002
EquilibriumCrystalStructure_A23B4_hP54_194_fh3k_ah_AlV__TE_760447050586_002 Equilibrium crystal structure and energy for AlV in AFLOW crystal prototype A23B4_hP54_194_fh3k_ah v002
EquilibriumCrystalStructure_A2B2C7D_tP24_113_e_e_cef_a_AlCaOSi__TE_286616190865_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2B2C7D_tP24_113_e_e_cef_a v001
EquilibriumCrystalStructure_A2B3_hR10_167_c_e_AlO__TE_909609001019_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_hR10_167_c_e v002
EquilibriumCrystalStructure_A2B3_hR5_166_c_ac_AlLi__TE_401052630781_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype A2B3_hR5_166_c_ac v002
EquilibriumCrystalStructure_A2B3_mC10_12_i_ai_AlO__TE_105933994061_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_mC10_12_i_ai v002
EquilibriumCrystalStructure_A2B3_mC20_12_2i_3i_AlO__TE_782207246136_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_mC20_12_2i_3i v002
EquilibriumCrystalStructure_A2B3_oC20_63_ac_cf_AlO__TE_419308996496_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_oC20_63_ac_cf v002
EquilibriumCrystalStructure_A2B3_oP20_60_d_cd_AlO__TE_540015969494_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_oP20_60_d_cd v002
EquilibriumCrystalStructure_A2B3_oP40_33_4a_6a_AlO__TE_125485218108_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_oP40_33_4a_6a v002
EquilibriumCrystalStructure_A2B3C12D3_cI160_230_a_c_h_d_AlCaOSi__TE_726841659909_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2B3C12D3_cI160_230_a_c_h_d v001
EquilibriumCrystalStructure_A2B3C2_oI14_71_e_af_f_AlCaSi__TE_002110047574_001 Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype A2B3C2_oI14_71_e_af_f v001
EquilibriumCrystalStructure_A2B3C3_aP16_2_2i_3i_3i_AlFeSi__TE_439204724690_001 Equilibrium crystal structure and energy for AlFeSi in AFLOW crystal prototype A2B3C3_aP16_2_2i_3i_3i v001
EquilibriumCrystalStructure_A2B3C4_oC36_63_f_cf_2cf_AlFeSi__TE_626648254497_001 Equilibrium crystal structure and energy for AlFeSi in AFLOW crystal prototype A2B3C4_oC36_63_f_cf_2cf v001
EquilibriumCrystalStructure_A2B3C5_mC20_12_i_ai_c2i_AlCTi__TE_175934699435_001 Equilibrium crystal structure and energy for AlCTi in AFLOW crystal prototype A2B3C5_mC20_12_i_ai_c2i v001
EquilibriumCrystalStructure_A2B3C6_cP33_221_cd_ag_fh_AlCaO__TE_679085264884_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2B3C6_cP33_221_cd_ag_fh v001
EquilibriumCrystalStructure_A2B5C_aP32_2_4i_10i_2i_AlOSi__TE_593017131292_001 Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_aP32_2_4i_10i_2i v001
EquilibriumCrystalStructure_A2B5C_mC32_15_f_e2f_c_AlOSi__TE_579458882692_001 Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_mC32_15_f_e2f_c v001
EquilibriumCrystalStructure_A2B5C_oC32_63_f_c2f_c_AlOSi__TE_119222726996_001 Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_oC32_63_f_c2f_c v001
EquilibriumCrystalStructure_A2B5C_oP32_58_eg_3gh_g_AlOSi__TE_168735777928_001 Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_oP32_58_eg_3gh_g v001
EquilibriumCrystalStructure_A2B_cF12_225_c_a_AlAu__TE_793170536912_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_AlO__TE_415879958980_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_AlPd__TE_153935986211_002 Equilibrium crystal structure and energy for AlPd in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_AlPt__TE_067864423237_002 Equilibrium crystal structure and energy for AlPt in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_AlCa__TE_764053418056_001 Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A2B_cF24_227_c_b v001
EquilibriumCrystalStructure_A2B_cF24_227_c_b_AlSm__TE_023994157393_002 Equilibrium crystal structure and energy for AlSm in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_AlU__TE_609711388342_002 Equilibrium crystal structure and energy for AlU in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_hP24_194_fgh_ef_AlU__TE_991637433783_002 Equilibrium crystal structure and energy for AlU in AFLOW crystal prototype A2B_hP24_194_fgh_ef v002
EquilibriumCrystalStructure_A2B_oC12_65_acg_h_AlTi__TE_354523957830_002 Equilibrium crystal structure and energy for AlTi in AFLOW crystal prototype A2B_oC12_65_acg_h v002
EquilibriumCrystalStructure_A2B_tI12_140_h_a_AlCu__TE_795022302988_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype A2B_tI12_140_h_a v002
EquilibriumCrystalStructure_A2B_tI24_141_2e_e_AlMg__TE_954301918596_002 Equilibrium crystal structure and energy for AlMg in AFLOW crystal prototype A2B_tI24_141_2e_e v002
EquilibriumCrystalStructure_A2B_tI24_141_2e_e_AlTi__TE_997206020641_002 Equilibrium crystal structure and energy for AlTi in AFLOW crystal prototype A2B_tI24_141_2e_e v002
EquilibriumCrystalStructure_A2B_tP3_123_e_a_AlCu__TE_780069591415_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype A2B_tP3_123_e_a v002
EquilibriumCrystalStructure_A2BC2_hP5_164_d_a_d_AlCaSi__TE_981171008277_001 Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype A2BC2_hP5_164_d_a_d v001
EquilibriumCrystalStructure_A2BC2_hP5_164_d_a_d_AlMgSi__TE_581718459499_001 Equilibrium crystal structure and energy for AlMgSi in AFLOW crystal prototype A2BC2_hP5_164_d_a_d v001
EquilibriumCrystalStructure_A2BC4_hP42_173_2c_a2b_4c_AlCaO__TE_975747407446_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_hP42_173_2c_a2b_4c v001
EquilibriumCrystalStructure_A2BC4_mP14_11_2e_e_4e_AlCaO__TE_217064445928_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_mP14_11_2e_e_4e v001
EquilibriumCrystalStructure_A2BC4_mP56_14_4e_2e_8e_AlCaO__TE_407849230210_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_mP56_14_4e_2e_8e v001
EquilibriumCrystalStructure_A2BC8D2_aP104_2_8i_4i_32i_8i_AlCaOSi__TE_768530464635_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2BC8D2_aP104_2_8i_4i_32i_8i v001
EquilibriumCrystalStructure_A2BC_oC16_63_f_c_c_AlCuMg__TE_361486192722_001 Equilibrium crystal structure and energy for AlCuMg in AFLOW crystal prototype A2BC_oC16_63_f_c_c v001
EquilibriumCrystalStructure_A30B23_hR53_148_5f_a2c3f_AlMg__TE_166495656448_002 Equilibrium crystal structure and energy for AlMg in AFLOW crystal prototype A30B23_hR53_148_5f_a2c3f v002
EquilibriumCrystalStructure_A3B2_hP10_164_abcd_2d_AlPt__TE_353687160343_002 Equilibrium crystal structure and energy for AlPt in AFLOW crystal prototype A3B2_hP10_164_abcd_2d v002
EquilibriumCrystalStructure_A3B2_hP5_164_ad_d_AlCu__TE_472812627644_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype A3B2_hP5_164_ad_d v002
EquilibriumCrystalStructure_A3B2_hP5_164_ad_d_AlNi__TE_316749760271_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B2_hP5_164_ad_d v002
EquilibriumCrystalStructure_A3B2_hP5_164_ad_d_AlPd__TE_530689092973_002 Equilibrium crystal structure and energy for AlPd in AFLOW crystal prototype A3B2_hP5_164_ad_d v002
EquilibriumCrystalStructure_A3B2_hP5_164_ad_d_AlPt__TE_765557728080_002 Equilibrium crystal structure and energy for AlPt in AFLOW crystal prototype A3B2_hP5_164_ad_d v002
EquilibriumCrystalStructure_A3B2C_cF96_227_f_e_c_AlFeSi__TE_313553038387_001 Equilibrium crystal structure and energy for AlFeSi in AFLOW crystal prototype A3B2C_cF96_227_f_e_c v001
EquilibriumCrystalStructure_A3B5_oC16_65_ah_bej_AlNi__TE_916164216045_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B5_oC16_65_ah_bej v002
EquilibriumCrystalStructure_A3B5_oP16_55_ah_cgh_AlPd__TE_054789856893_002 Equilibrium crystal structure and energy for AlPd in AFLOW crystal prototype A3B5_oP16_55_ah_cgh v002
EquilibriumCrystalStructure_A3B5_oP16_55_ah_cgh_AlPt__TE_982600135332_002 Equilibrium crystal structure and energy for AlPt in AFLOW crystal prototype A3B5_oP16_55_ah_cgh v002
EquilibriumCrystalStructure_A3B8_aP22_2_be2i_8i_AlCa__TE_044555675481_001 Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A3B8_aP22_2_be2i_8i v001
EquilibriumCrystalStructure_A3B8_hR44_167_bce_2c2f_AlAu__TE_034838111921_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype A3B8_hR44_167_bce_2c2f v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_AlLi__TE_587456284614_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_AlTi__TE_417998332537_002 Equilibrium crystal structure and energy for AlTi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_AlU__TE_991519300036_002 Equilibrium crystal structure and energy for AlU in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_AlV__TE_030506771421_002 Equilibrium crystal structure and energy for AlV in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_oP16_62_cd_c_AlNi__TE_412732671312_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B_oP16_62_cd_c v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_AlNb__TE_535247973269_002 Equilibrium crystal structure and energy for AlNb in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_AlTi__TE_201847116930_002 Equilibrium crystal structure and energy for AlTi in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_AlV__TE_014476582568_002 Equilibrium crystal structure and energy for AlV in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A3BC2_oP24_60_ad_c_d_AlFeSi__TE_515002025218_001 Equilibrium crystal structure and energy for AlFeSi in AFLOW crystal prototype A3BC2_oP24_60_ad_c_d v001
EquilibriumCrystalStructure_A45B7_mC104_12_a8i7j_cij_AlCr__TE_444969506738_002 Equilibrium crystal structure and energy for AlCr in AFLOW crystal prototype A45B7_mC104_12_a8i7j_cij v002
EquilibriumCrystalStructure_A45B7_mC104_12_a8i7j_cij_AlV__TE_402596683394_002 Equilibrium crystal structure and energy for AlV in AFLOW crystal prototype A45B7_mC104_12_a8i7j_cij v002
EquilibriumCrystalStructure_A4B19_aP46_1_8a_38a_AlSi__TE_802657742053_002 Equilibrium crystal structure and energy for AlSi in AFLOW crystal prototype A4B19_aP46_1_8a_38a v002
EquilibriumCrystalStructure_A4B19C15_oC152_63_h_c3f2g2h_aefg2h_AlMgZn__TE_635212050169_001 Equilibrium crystal structure and energy for AlMgZn in AFLOW crystal prototype A4B19C15_oC152_63_h_c3f2g2h_aefg2h v001
EquilibriumCrystalStructure_A4B2C3_hP18_194_ef_f_h_AlMgZn__TE_947006315503_001 Equilibrium crystal structure and energy for AlMgZn in AFLOW crystal prototype A4B2C3_hP18_194_ef_f_h v001
EquilibriumCrystalStructure_A4B3_cI112_230_af_g_AlNi__TE_273280345947_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A4B3_cI112_230_af_g v002
EquilibriumCrystalStructure_A4B3_hR7_166_2c_ac_AlC__TE_790528349269_002 Equilibrium crystal structure and energy for AlC in AFLOW crystal prototype A4B3_hR7_166_2c_ac v002
EquilibriumCrystalStructure_A4B9_cP52_215_ei_3efgi_AlCu__TE_886579160060_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype A4B9_cP52_215_ei_3efgi v002
EquilibriumCrystalStructure_A4B9_mC26_12_2i_a4i_AlLi__TE_249658631332_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype A4B9_mC26_12_2i_a4i v002
EquilibriumCrystalStructure_A4B_oI20_74_aeh_e_AlSm__TE_287799923935_002 Equilibrium crystal structure and energy for AlSm in AFLOW crystal prototype A4B_oI20_74_aeh_e v002
EquilibriumCrystalStructure_A4B_oI20_74_aeh_e_AlU__TE_601481576849_002 Equilibrium crystal structure and energy for AlU in AFLOW crystal prototype A4B_oI20_74_aeh_e v002
EquilibriumCrystalStructure_A4B_tI10_139_de_a_AlCa__TE_625761078954_001 Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A4B_tI10_139_de_a v001
EquilibriumCrystalStructure_A4B_tI10_139_de_a_AlSm__TE_696629182398_002 Equilibrium crystal structure and energy for AlSm in AFLOW crystal prototype A4B_tI10_139_de_a v002
EquilibriumCrystalStructure_A4BC7_mC48_15_2f_e_e3f_AlCaO__TE_544520449033_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A4BC7_mC48_15_2f_e_e3f v001
EquilibriumCrystalStructure_A5B2_hP28_194_ahk_ch_AlCo__TE_992676508790_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype A5B2_hP28_194_ahk_ch v002
EquilibriumCrystalStructure_A5B6C2_cP39_200_bfi_ek_g_AlCuMg__TE_407375971320_001 Equilibrium crystal structure and energy for AlCuMg in AFLOW crystal prototype A5B6C2_cP39_200_bfi_ek_g v001
EquilibriumCrystalStructure_A67B41_cP108_221_aeh2il_cfgm_AlMg__TE_245130600046_002 Equilibrium crystal structure and energy for AlMg in AFLOW crystal prototype A67B41_cP108_221_aeh2il_cfgm v002
EquilibriumCrystalStructure_A6B4C13_cI46_217_d_c_ag_AlCaO__TE_064674868768_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A6B4C13_cI46_217_d_c_ag v001
EquilibriumCrystalStructure_A6B5C14_oC100_36_2a2b_a2b_4a5b_AlCaO__TE_781202697604_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A6B5C14_oC100_36_2a2b_a2b_4a5b v001
EquilibriumCrystalStructure_A6B_oC28_63_efg_c_AlFe__TE_509369975681_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype A6B_oC28_63_efg_c v002
EquilibriumCrystalStructure_A6B_oC28_63_efg_c_AlMn__TE_051655404668_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype A6B_oC28_63_efg_c v002
EquilibriumCrystalStructure_A7B2C_tP40_128_egi_h_e_AlCuFe__TE_032013091685_001 Equilibrium crystal structure and energy for AlCuFe in AFLOW crystal prototype A7B2C_tP40_128_egi_h_e v001
EquilibriumCrystalStructure_A7B6C16_cI116_220_ac_d_ce_AlCaO__TE_265750543456_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A7B6C16_cI116_220_ac_d_ce v001
EquilibriumCrystalStructure_A8B5_cI52_217_cg_ce_AlFe__TE_747680491513_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype A8B5_cI52_217_cg_ce v002
EquilibriumCrystalStructure_A8B5_hR26_160_a3bc_a3b_AlCr__TE_803978351654_002 Equilibrium crystal structure and energy for AlCr in AFLOW crystal prototype A8B5_hR26_160_a3bc_a3b v002
EquilibriumCrystalStructure_A8BC3D6_hP18_189_agh_b_f_i_AlFeMgSi__TE_988195642596_001 Equilibrium crystal structure and energy for AlFeMgSi in AFLOW crystal prototype A8BC3D6_hP18_189_agh_b_f_i v001
EquilibriumCrystalStructure_A9B2_aP22_1_18a_4a_AlFe__TE_410668217719_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype A9B2_aP22_1_18a_4a v002
EquilibriumCrystalStructure_A9B2_mP22_14_a4e_e_AlCo__TE_345368281616_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype A9B2_mP22_14_a4e_e v002
EquilibriumCrystalStructure_A9BC3D5_hP18_189_fi_a_g_bh_AlFeMgSi__TE_381199609772_001 Equilibrium crystal structure and energy for AlFeMgSi in AFLOW crystal prototype A9BC3D5_hP18_189_fi_a_g_bh v001
EquilibriumCrystalStructure_A_cF4_225_a_Al__TE_761937896122_002 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Al__TE_258644009221_002 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_AB2_cF12_216_a_bc_AlTi__TE_343085985257_002 Equilibrium crystal structure and energy for AlTi in AFLOW crystal prototype AB2_cF12_216_a_bc v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_AlFe__TE_380424075406_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_AlAu__TE_883267449414_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_AlPd__TE_726522708136_002 Equilibrium crystal structure and energy for AlPd in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_AlPt__TE_822866821418_002 Equilibrium crystal structure and energy for AlPt in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_oP24_51_afj_cf2ij_AlPt__TE_583954008022_002 Equilibrium crystal structure and energy for AlPt in AFLOW crystal prototype AB2_oP24_51_afj_cf2ij v002
EquilibriumCrystalStructure_AB2_oP30_58_a2g_5g_AlAu__TE_275666455943_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB2_oP30_58_a2g_5g v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_AlAu__TE_968005658810_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_AlCr__TE_619144939788_002 Equilibrium crystal structure and energy for AlCr in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB2_tP30_136_ai_fij_AlNb__TE_980946200456_002 Equilibrium crystal structure and energy for AlNb in AFLOW crystal prototype AB2_tP30_136_ai_fij v002
EquilibriumCrystalStructure_AB2C3_hP12_194_b_f_af_AlCTi__TE_349547461264_001 Equilibrium crystal structure and energy for AlCTi in AFLOW crystal prototype AB2C3_hP12_194_b_f_af v001
EquilibriumCrystalStructure_AB2C_cF16_225_a_c_b_AlCoCr__TE_142578992676_001 Equilibrium crystal structure and energy for AlCoCr in AFLOW crystal prototype AB2C_cF16_225_a_c_b v001
EquilibriumCrystalStructure_AB2C_cF16_225_a_c_b_AlCoFe__TE_359735035977_001 Equilibrium crystal structure and energy for AlCoFe in AFLOW crystal prototype AB2C_cF16_225_a_c_b v001
EquilibriumCrystalStructure_AB2C_cF16_225_a_c_b_AlFeNi__TE_465314266097_001 Equilibrium crystal structure and energy for AlFeNi in AFLOW crystal prototype AB2C_cF16_225_a_c_b v001
EquilibriumCrystalStructure_AB2C_cF16_225_a_c_b_AlNiTi__TE_636026550360_001 Equilibrium crystal structure and energy for AlNiTi in AFLOW crystal prototype AB2C_cF16_225_a_c_b v001
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlCu__TE_023354456595_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlFe__TE_107175838709_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlMn__TE_590404298412_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlNi__TE_559285586833_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlTi__TE_427104897233_002 Equilibrium crystal structure and energy for AlTi in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF64_227_c_f_AlH__TE_367093812813_002 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_cF64_227_c_f v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AlCo__TE_744484734613_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AlCu__TE_391988908329_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AlNi__TE_513450192317_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AlPt__TE_303126071607_002 Equilibrium crystal structure and energy for AlPt in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AlSm__TE_020673952769_002 Equilibrium crystal structure and energy for AlSm in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP8_223_a_c_AlNb__TE_215996158992_002 Equilibrium crystal structure and energy for AlNb in AFLOW crystal prototype AB3_cP8_223_a_c v002
EquilibriumCrystalStructure_AB3_cP8_223_a_c_AlV__TE_253874761860_002 Equilibrium crystal structure and energy for AlV in AFLOW crystal prototype AB3_cP8_223_a_c v002
EquilibriumCrystalStructure_AB3_hP8_194_c_h_AlCo__TE_192255173008_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype AB3_hP8_194_c_h v002
EquilibriumCrystalStructure_AB3_hP8_194_c_h_AlTi__TE_214374274542_002 Equilibrium crystal structure and energy for AlTi in AFLOW crystal prototype AB3_hP8_194_c_h v002
EquilibriumCrystalStructure_AB3_hR8_167_b_e_AlH__TE_559823445456_002 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_hR8_167_b_e v002
EquilibriumCrystalStructure_AB3_oC48_63_ad_cfgh_AlH__TE_669442227099_002 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_oC48_63_ad_cfgh v002
EquilibriumCrystalStructure_AB3_oP12_47_al_ejoz_AlCu__TE_574022612593_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype AB3_oP12_47_al_ejoz v002
EquilibriumCrystalStructure_AB3_oP24_58_ag_c2gh_AlH__TE_830246339695_002 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_oP24_58_ag_c2gh v002
EquilibriumCrystalStructure_AB3_tP16_127_f_egh_AlPt__TE_108113877620_002 Equilibrium crystal structure and energy for AlPt in AFLOW crystal prototype AB3_tP16_127_f_egh v002
EquilibriumCrystalStructure_AB3_tP4_123_a_ce_AlNi__TE_422372257975_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_tP4_123_a_ce v002
EquilibriumCrystalStructure_AB3C4_hP16_194_c_af_ef_AlNTi__TE_043432510993_001 Equilibrium crystal structure and energy for AlNTi in AFLOW crystal prototype AB3C4_hP16_194_c_af_ef v001
EquilibriumCrystalStructure_AB4_cP20_198_a_ab_AlAu__TE_954197171138_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB4_cP20_198_a_ab v002
EquilibriumCrystalStructure_AB4C6_mC22_12_a_2i_3i_AlMgSi__TE_572375856036_001 Equilibrium crystal structure and energy for AlMgSi in AFLOW crystal prototype AB4C6_mC22_12_a_2i_3i v001
EquilibriumCrystalStructure_AB5_oP24_62_c_5c_AlPd__TE_248140805643_002 Equilibrium crystal structure and energy for AlPd in AFLOW crystal prototype AB5_oP24_62_c_5c v002
EquilibriumCrystalStructure_AB_cF16_227_a_b_AlLi__TE_937936374136_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype AB_cF16_227_a_b v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_AlN__TE_689408223894_002 Equilibrium crystal structure and energy for AlN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_AlN__TE_749743688824_002 Equilibrium crystal structure and energy for AlN in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_AlO__TE_806143838296_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlAu__TE_028107422299_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlCo__TE_807869760782_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlFe__TE_777450969159_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlNi__TE_551410690466_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlPd__TE_316000994761_002 Equilibrium crystal structure and energy for AlPd in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlPt__TE_876742367553_002 Equilibrium crystal structure and energy for AlPt in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlSm__TE_419876701470_002 Equilibrium crystal structure and energy for AlSm in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP8_198_a_a_AlPd__TE_873736839310_002 Equilibrium crystal structure and energy for AlPd in AFLOW crystal prototype AB_cP8_198_a_a v002
EquilibriumCrystalStructure_AB_cP8_198_a_a_AlPt__TE_633379882689_002 Equilibrium crystal structure and energy for AlPt in AFLOW crystal prototype AB_cP8_198_a_a v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_AlN__TE_006319344352_002 Equilibrium crystal structure and energy for AlN in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_d_AlN__TE_298801052135_002 Equilibrium crystal structure and energy for AlN in AFLOW crystal prototype AB_hP4_194_c_d v002
EquilibriumCrystalStructure_AB_hP8_194_bc_f_AlLi__TE_694787877778_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype AB_hP8_194_bc_f v002
EquilibriumCrystalStructure_AB_hR26_148_a2f_b2f_AlPd__TE_890040624663_002 Equilibrium crystal structure and energy for AlPd in AFLOW crystal prototype AB_hR26_148_a2f_b2f v002
EquilibriumCrystalStructure_AB_mC20_12_a2i_c2i_AlCu__TE_914729329759_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype AB_mC20_12_a2i_c2i v002
EquilibriumCrystalStructure_AB_mP8_11_2e_2e_AlAu__TE_796698046414_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB_mP8_11_2e_2e v002
EquilibriumCrystalStructure_AB_oC48_64_fg_def_AlLi__TE_245440295427_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype AB_oC48_64_fg_def v002
EquilibriumCrystalStructure_AB_oC8_63_c_c_AlN__TE_971030455888_002 Equilibrium crystal structure and energy for AlN in AFLOW crystal prototype AB_oC8_63_c_c v002
EquilibriumCrystalStructure_AB_oP16_57_cd_2d_AlSm__TE_810364743392_002 Equilibrium crystal structure and energy for AlSm in AFLOW crystal prototype AB_oP16_57_cd_2d v002
EquilibriumCrystalStructure_AB_tI8_141_a_b_AlLi__TE_365836642059_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype AB_tI8_141_a_b v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_AlMn__TE_977738886430_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_AlTi__TE_869271257293_002 Equilibrium crystal structure and energy for AlTi in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_ABC2_cF16_216_a_c_bd_AlNiTi__TE_857558195359_001 Equilibrium crystal structure and energy for AlNiTi in AFLOW crystal prototype ABC2_cF16_216_a_c_bd v001
EquilibriumCrystalStructure_ABC2_cF16_225_a_b_c_AlCrFe__TE_631377060965_001 Equilibrium crystal structure and energy for AlCrFe in AFLOW crystal prototype ABC2_cF16_225_a_b_c v001
EquilibriumCrystalStructure_ABC2_cF16_225_a_b_c_AlCrNi__TE_976636071079_001 Equilibrium crystal structure and energy for AlCrNi in AFLOW crystal prototype ABC2_cF16_225_a_b_c v001
EquilibriumCrystalStructure_ABC2_cF16_225_a_b_c_AlMnPd__TE_818334937894_001 Equilibrium crystal structure and energy for AlMnPd in AFLOW crystal prototype ABC2_cF16_225_a_b_c v001
EquilibriumCrystalStructure_ABC2_hP8_194_c_a_f_AlCTi__TE_273642234528_001 Equilibrium crystal structure and energy for AlCTi in AFLOW crystal prototype ABC2_hP8_194_c_a_f v001
EquilibriumCrystalStructure_ABC2_hP8_194_c_a_f_AlNTi__TE_298315613039_001 Equilibrium crystal structure and energy for AlNTi in AFLOW crystal prototype ABC2_hP8_194_c_a_f v001
EquilibriumCrystalStructure_ABC2_tP4_123_a_c_e_AlCuPt__TE_252727209039_001 Equilibrium crystal structure and energy for AlCuPt in AFLOW crystal prototype ABC2_tP4_123_a_c_e v001
EquilibriumCrystalStructure_ABC3_cP5_221_a_b_c_AlCTi__TE_273780107371_001 Equilibrium crystal structure and energy for AlCTi in AFLOW crystal prototype ABC3_cP5_221_a_b_c v001
EquilibriumCrystalStructure_ABC3_cP5_221_a_b_c_AlNTi__TE_559958597941_001 Equilibrium crystal structure and energy for AlNTi in AFLOW crystal prototype ABC3_cP5_221_a_b_c v001
EquilibriumCrystalStructure_ABC_hP15_187_agh_f2i_cgh_AlCaSi__TE_119124251542_001 Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype ABC_hP15_187_agh_f2i_cgh v001
EquilibriumCrystalStructure_ABC_hP18_186_3b_3a_3b_AlCaSi__TE_194226964995_001 Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype ABC_hP18_186_3b_3a_3b v001
EquilibriumCrystalStructure_ABC_hP3_187_a_d_e_AlCaSi__TE_551469833065_001 Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype ABC_hP3_187_a_d_e v001
EquilibriumCrystalStructure_ABC_oP12_62_c_c_c_AlMgSi__TE_637410432538_001 Equilibrium crystal structure and energy for AlMgSi in AFLOW crystal prototype ABC_oP12_62_c_c_c v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Aluminum__TE_127974406309_000 Unconstrained equilibrium crystal structure and energy of Aluminum expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Aluminum_Oxide__TE_949159786812_000 Unconstrained equilibrium crystal structure and energy of Aluminum Oxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Kaolinite__TE_770977003873_000 Unconstrained equilibrium crystal structure and energy of Kaolinite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Montmorillonite__TE_912341279351_000 Unconstrained equilibrium crystal structure and energy of Montmorillonite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Muscovite__TE_755120994678_000 Unconstrained equilibrium crystal structure and energy of Muscovite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Pyrophyllite__TE_850892375316_000 Unconstrained equilibrium crystal structure and energy of Pyrophyllite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Tricalcium_Aluminate__TE_889636295875_000 Unconstrained equilibrium crystal structure and energy of Tricalcium Aluminate expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Aluminum__TE_741008777397_000 Unconstrained equilibrium crystal structure and energy of Aluminum expressed in PCFF-INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Kaolinite__TE_313060772354_000 Unconstrained equilibrium crystal structure and energy of Kaolinite expressed in PCFF-INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Montmorillonite__TE_317102643046_000 Unconstrained equilibrium crystal structure and energy of Montmorillonite expressed in PCFF-INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Pyrophyllite__TE_060007452167_000 Unconstrained equilibrium crystal structure and energy of Pyrophyllite expressed in PCFF-INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Tricalcium_Aluminate__TE_386531012571_000 Unconstrained equilibrium crystal structure and energy of Tricalcium Aluminate expressed in PCFF-INTERFACE atom types and bonding v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Al__TE_918853243284_003 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Al v003
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Al__TE_202986963854_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Al v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Al__TE_117904176283_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Al v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Al__TE_641102822364_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Al v001
LatticeConstantCubicEnergy_bcc_Al__TE_201065028814_007 Equilibrium zero-temperature lattice constant for bcc Al v007
LatticeConstantCubicEnergy_diamond_Al__TE_586085652256_007 Equilibrium zero-temperature lattice constant for diamond Al v007
LatticeConstantCubicEnergy_fcc_Al__TE_156715955670_007 Equilibrium zero-temperature lattice constant for fcc Al v007
LatticeConstantCubicEnergy_sc_Al__TE_272202056996_007 Equilibrium zero-temperature lattice constant for sc Al v007
LatticeConstantHexagonalEnergy_hcp_Al__TE_248740869817_005 Equilibrium lattice constants for hcp Al v005
LinearThermalExpansionCoeff_fcc_Al__TE_957040092249_002 Linear thermal expansion coefficient of fcc Al at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Al__TE_363050395011_004 Phonon dispersion relations for fcc Al v004
StackingFaultFccCrystal_0bar_Al__TE_104913236993_002 Stacking and twinning fault energies for fcc Al v002
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Al__TE_761372278666_004 Broken-bond fit of high-symmetry surface energies in fcc Al v004
VacancyFormationEnergyRelaxationVolume_fcc_Al__TE_472472909360_001 Monovacancy formation energy and relaxation volume for fcc Al
VacancyFormationMigration_fcc_Al__TE_209799619356_001 Vacancy formation and migration energy for fcc Al
Am
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Am__TE_674742977335_004 Cohesive energy versus lattice constant curve for bcc Am v004
CohesiveEnergyVsLatticeConstant_diamond_Am__TE_400337949121_004 Cohesive energy versus lattice constant curve for diamond Am v004
CohesiveEnergyVsLatticeConstant_fcc_Am__TE_862846835788_004 Cohesive energy versus lattice constant curve for fcc Am v004
CohesiveEnergyVsLatticeConstant_sc_Am__TE_834468830647_004 Cohesive energy versus lattice constant curve for sc Am v004
ElasticConstantsCubic_bcc_Am__TE_762214084008_006 Elastic constants for bcc Am at zero temperature v006
ElasticConstantsCubic_diamond_Am__TE_166636005119_001 Elastic constants for diamond Am at zero temperature v001
ElasticConstantsCubic_fcc_Am__TE_119778190635_006 Elastic constants for fcc Am at zero temperature v006
ElasticConstantsCubic_sc_Am__TE_450877207457_006 Elastic constants for sc Am at zero temperature v006
ElasticConstantsHexagonal_hcp_Am__TE_683001319103_004 Elastic constants for hcp Am at zero temperature v004
LatticeConstantCubicEnergy_bcc_Am__TE_641429411928_007 Equilibrium zero-temperature lattice constant for bcc Am v007
LatticeConstantCubicEnergy_diamond_Am__TE_650504547135_007 Equilibrium zero-temperature lattice constant for diamond Am v007
LatticeConstantCubicEnergy_fcc_Am__TE_649369084062_007 Equilibrium zero-temperature lattice constant for fcc Am v007
LatticeConstantCubicEnergy_sc_Am__TE_775660899440_007 Equilibrium zero-temperature lattice constant for sc Am v007
LatticeConstantHexagonalEnergy_hcp_Am__TE_834875181505_005 Equilibrium lattice constants for hcp Am v005
Ar
Test Title
ASECohesiveEnergyFromQueryExample_fcc_Ar__TE_102111117114_003 ASE cohesive energy example test v003
CohesiveEnergyVsLatticeConstant_bcc_Ar__TE_596270021042_004 Cohesive energy versus lattice constant curve for bcc Ar v004
CohesiveEnergyVsLatticeConstant_diamond_Ar__TE_247139976060_004 Cohesive energy versus lattice constant curve for diamond Ar v004
CohesiveEnergyVsLatticeConstant_fcc_Ar__TE_473080739796_004 Cohesive energy versus lattice constant curve for fcc Ar v004
CohesiveEnergyVsLatticeConstant_sc_Ar__TE_210727121326_004 Cohesive energy versus lattice constant curve for sc Ar v004
ElasticConstantsCubic_bcc_Ar__TE_557478345197_006 Elastic constants for bcc Ar at zero temperature v006
ElasticConstantsCubic_diamond_Ar__TE_694519769696_001 Elastic constants for diamond Ar at zero temperature v001
ElasticConstantsCubic_fcc_Ar__TE_481032490646_006 Elastic constants for fcc Ar at zero temperature v006
ElasticConstantsCubic_sc_Ar__TE_759762809167_006 Elastic constants for sc Ar at zero temperature v006
ElasticConstantsHexagonal_hcp_Ar__TE_490836679215_004 Elastic constants for hcp Ar at zero temperature v004
EquilibriumCrystalStructure_A_cF4_225_a_Ar__TE_075712707506_002 Equilibrium crystal structure and energy for Ar in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Ar__TE_466782004452_002 Equilibrium crystal structure and energy for Ar in AFLOW crystal prototype A_hP2_194_c v002
LammpsCohesiveEnergyFromQueryExample_fcc_Ar__TE_565333229701_005 Lammps cohesive energy example test v005
LammpsExample2_fcc_Ar__TE_778998786610_002 LammpsExample2_fcc_Ar: energy-volume curve of fcc Argon
LatticeConstantCubicEnergy_bcc_Ar__TE_444658947495_007 Equilibrium zero-temperature lattice constant for bcc Ar v007
LatticeConstantCubicEnergy_diamond_Ar__TE_048754937354_007 Equilibrium zero-temperature lattice constant for diamond Ar v007
LatticeConstantCubicEnergy_fcc_Ar__TE_206669103745_007 Equilibrium zero-temperature lattice constant for fcc Ar v007
LatticeConstantCubicEnergy_sc_Ar__TE_759236555785_007 Equilibrium zero-temperature lattice constant for sc Ar v007
LatticeConstantHexagonalEnergy_hcp_Ar__TE_971519473781_005 Equilibrium lattice constants for hcp Ar v005
LinearThermalExpansionCoeff_fcc_Ar__TE_732820333279_002 Linear thermal expansion coefficient of fcc Ar at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Ar__TE_365672092268_004 Phonon dispersion relations for fcc Ar v004
StackingFaultFccCrystal_0bar_Ar__TE_091608566333_002 Stacking and twinning fault energies for fcc Ar v002
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ar__TE_034742437374_004 Broken-bond fit of high-symmetry surface energies in fcc Ar v004
As
Test Title
CohesiveEnergyVsLatticeConstant_bcc_As__TE_678254194854_004 Cohesive energy versus lattice constant curve for bcc As v004
CohesiveEnergyVsLatticeConstant_diamond_As__TE_857939372069_004 Cohesive energy versus lattice constant curve for diamond As v004
CohesiveEnergyVsLatticeConstant_fcc_As__TE_614166581570_004 Cohesive energy versus lattice constant curve for fcc As v004
CohesiveEnergyVsLatticeConstant_sc_As__TE_893654284313_004 Cohesive energy versus lattice constant curve for sc As v004
ElasticConstantsCubic_bcc_As__TE_092004514529_006 Elastic constants for bcc As at zero temperature v006
ElasticConstantsCubic_diamond_As__TE_300352595894_001 Elastic constants for diamond As at zero temperature v001
ElasticConstantsCubic_fcc_As__TE_042277951509_006 Elastic constants for fcc As at zero temperature v006
ElasticConstantsCubic_sc_As__TE_207430109728_006 Elastic constants for sc As at zero temperature v006
ElasticConstantsHexagonal_hcp_As__TE_370341042414_004 Elastic constants for hcp As at zero temperature v004
EquilibriumCrystalStructure_A_cP1_221_a_As__TE_423826766789_002 Equilibrium crystal structure and energy for As in AFLOW crystal prototype A_cP1_221_a v002
EquilibriumCrystalStructure_A_hR2_166_c_As__TE_160021429038_002 Equilibrium crystal structure and energy for As in AFLOW crystal prototype A_hR2_166_c v002
EquilibriumCrystalStructure_A_oC8_64_f_As__TE_021858802033_002 Equilibrium crystal structure and energy for As in AFLOW crystal prototype A_oC8_64_f v002
EquilibriumCrystalStructure_A_tI4_139_e_As__TE_467369851848_002 Equilibrium crystal structure and energy for As in AFLOW crystal prototype A_tI4_139_e v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_AsGa__TE_244370801275_002 Equilibrium crystal structure and energy for AsGa in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cP16_205_c_c_AsGa__TE_981003351654_002 Equilibrium crystal structure and energy for AsGa in AFLOW crystal prototype AB_cP16_205_c_c v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_AsGa__TE_416745240153_002 Equilibrium crystal structure and energy for AsGa in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_oI4_44_a_b_AsGa__TE_799930333340_002 Equilibrium crystal structure and energy for AsGa in AFLOW crystal prototype AB_oI4_44_a_b v002
EquilibriumCrystalStructure_AB_oP2_25_a_b_AsGa__TE_008832248189_002 Equilibrium crystal structure and energy for AsGa in AFLOW crystal prototype AB_oP2_25_a_b v002
LatticeConstantCubicEnergy_bcc_As__TE_185970815837_007 Equilibrium zero-temperature lattice constant for bcc As v007
LatticeConstantCubicEnergy_diamond_As__TE_408558267295_007 Equilibrium zero-temperature lattice constant for diamond As v007
LatticeConstantCubicEnergy_fcc_As__TE_696802322754_007 Equilibrium zero-temperature lattice constant for fcc As v007
LatticeConstantCubicEnergy_sc_As__TE_919611239269_007 Equilibrium zero-temperature lattice constant for sc As v007
LatticeConstantHexagonalEnergy_hcp_As__TE_607219717047_005 Equilibrium lattice constants for hcp As v005
At
Test Title
CohesiveEnergyVsLatticeConstant_bcc_At__TE_994174202631_004 Cohesive energy versus lattice constant curve for bcc At v004
CohesiveEnergyVsLatticeConstant_diamond_At__TE_763187322866_004 Cohesive energy versus lattice constant curve for diamond At v004
CohesiveEnergyVsLatticeConstant_fcc_At__TE_129016230922_004 Cohesive energy versus lattice constant curve for fcc At v004
CohesiveEnergyVsLatticeConstant_sc_At__TE_987970285169_004 Cohesive energy versus lattice constant curve for sc At v004
ElasticConstantsCubic_bcc_At__TE_878053469077_006 Elastic constants for bcc At at zero temperature v006
ElasticConstantsCubic_diamond_At__TE_909754404899_001 Elastic constants for diamond At at zero temperature v001
ElasticConstantsCubic_fcc_At__TE_360048230522_006 Elastic constants for fcc At at zero temperature v006
ElasticConstantsCubic_sc_At__TE_795408871899_006 Elastic constants for sc At at zero temperature v006
ElasticConstantsHexagonal_hcp_At__TE_122748153427_004 Elastic constants for hcp At at zero temperature v004
LatticeConstantCubicEnergy_bcc_At__TE_649182413621_007 Equilibrium zero-temperature lattice constant for bcc At v007
LatticeConstantCubicEnergy_diamond_At__TE_557721501311_007 Equilibrium zero-temperature lattice constant for diamond At v007
LatticeConstantCubicEnergy_fcc_At__TE_659396108742_007 Equilibrium zero-temperature lattice constant for fcc At v007
LatticeConstantCubicEnergy_sc_At__TE_360830768165_007 Equilibrium zero-temperature lattice constant for sc At v007
LatticeConstantHexagonalEnergy_hcp_At__TE_529097494158_005 Equilibrium lattice constants for hcp At v005
Au
Test Title
binary_alloy_elastic_constant_B2_AuCd__TE_829939848261_000 Elastic constants of AuCd alloy in the B2 (CsCl) configuration
CohesiveEnergyVsLatticeConstant_bcc_Au__TE_048019432807_004 Cohesive energy versus lattice constant curve for bcc Au v004
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_004 Cohesive energy versus lattice constant curve for diamond Au v004
CohesiveEnergyVsLatticeConstant_fcc_Au__TE_639842329907_004 Cohesive energy versus lattice constant curve for fcc Au v004
CohesiveEnergyVsLatticeConstant_sc_Au__TE_217023185784_004 Cohesive energy versus lattice constant curve for sc Au v004
DislocationCoreEnergyCubic_fcc_Au_0p50p50_110__TE_818756479908_000 Dislocation core energy for fcc Au computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 1, 0] v000
DislocationCoreEnergyCubic_fcc_Au_0p50p50_1m12__TE_761969334263_000 Dislocation core energy for fcc Au computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, -1, 2] v000
ElasticConstantsCubic_bcc_Au__TE_331337049300_006 Elastic constants for bcc Au at zero temperature v006
ElasticConstantsCubic_diamond_Au__TE_692527459863_001 Elastic constants for diamond Au at zero temperature v001
ElasticConstantsCubic_fcc_Au__TE_955259038482_006 Elastic constants for fcc Au at zero temperature v006
ElasticConstantsCubic_sc_Au__TE_292034176243_006 Elastic constants for sc Au at zero temperature v006
ElasticConstantsHexagonal_hcp_Au__TE_173297003682_004 Elastic constants for hcp Au at zero temperature v004
EquilibriumCrystalStructure_A2B3_oF40_43_b_ab_AuO__TE_250917537998_002 Equilibrium crystal structure and energy for AuO in AFLOW crystal prototype A2B3_oF40_43_b_ab v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_AlAu__TE_793170536912_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A3B5_tI32_140_ah_bk_AuCd__TE_303065370966_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype A3B5_tI32_140_ah_bk v002
EquilibriumCrystalStructure_A3B8_hR44_167_bce_2c2f_AlAu__TE_034838111921_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype A3B8_hR44_167_bce_2c2f v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_AuCd__TE_610261959342_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_AuCu__TE_477003274323_002 Equilibrium crystal structure and energy for AuCu in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_AuPd__TE_263386656464_002 Equilibrium crystal structure and energy for AuPd in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A5B8_cI52_217_ce_cg_AuCd__TE_545736501010_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype A5B8_cI52_217_ce_cg v002
EquilibriumCrystalStructure_A_cF4_225_a_Au__TE_187370821793_002 Equilibrium crystal structure and energy for Au in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_AlAu__TE_883267449414_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_oP30_58_a2g_5g_AlAu__TE_275666455943_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB2_oP30_58_a2g_5g v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_AlAu__TE_968005658810_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AuCu__TE_445883677972_002 Equilibrium crystal structure and energy for AuCu in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AuPd__TE_096512273260_002 Equilibrium crystal structure and energy for AuPd in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_hP24_185_c_ab2c_AuCd__TE_351487374612_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype AB3_hP24_185_c_ab2c v002
EquilibriumCrystalStructure_AB4_cP20_198_a_ab_AlAu__TE_954197171138_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB4_cP20_198_a_ab v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlAu__TE_028107422299_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AuCd__TE_496976864621_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_hP18_157_ab2c_ab2c_AuCd__TE_855080031757_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype AB_hP18_157_ab2c_ab2c v002
EquilibriumCrystalStructure_AB_mP8_11_2e_2e_AlAu__TE_796698046414_002 Equilibrium crystal structure and energy for AlAu in AFLOW crystal prototype AB_mP8_11_2e_2e v002
EquilibriumCrystalStructure_AB_oI40_74_5e_5e_AuCu__TE_188644045020_002 Equilibrium crystal structure and energy for AuCu in AFLOW crystal prototype AB_oI40_74_5e_5e v002
EquilibriumCrystalStructure_AB_oP4_51_e_f_AuCd__TE_031844288815_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype AB_oP4_51_e_f v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_AuCu__TE_607041822283_002 Equilibrium crystal structure and energy for AuCu in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Gold__TE_567848581181_000 Unconstrained equilibrium crystal structure and energy of Gold expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Gold__TE_018048185561_000 Unconstrained equilibrium crystal structure and energy of Gold expressed in PCFF-INTERFACE atom types and bonding v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Au__TE_320230245451_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Au v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Au__TE_816974134313_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Au v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Au__TE_373007705580_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Au v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Au__TE_190867597669_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Au v000
LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_007 Equilibrium zero-temperature lattice constant for bcc Au v007
LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_007 Equilibrium zero-temperature lattice constant for diamond Au v007
LatticeConstantCubicEnergy_fcc_Au__TE_622115706816_007 Equilibrium zero-temperature lattice constant for fcc Au v007
LatticeConstantCubicEnergy_sc_Au__TE_267331964638_007 Equilibrium zero-temperature lattice constant for sc Au v007
LatticeConstantHexagonalEnergy_hcp_Au__TE_582408679046_005 Equilibrium lattice constants for hcp Au v005
LinearThermalExpansionCoeff_fcc_Au__TE_173429922932_002 Linear thermal expansion coefficient of fcc Au at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Au__TE_171727129373_004 Phonon dispersion relations for fcc Au v004
StackingFaultFccCrystal_0bar_Au__TE_843792000528_002 Stacking and twinning fault energies for fcc Au v002
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_004 Broken-bond fit of high-symmetry surface energies in fcc Au v004
VacancyFormationEnergyRelaxationVolume_fcc_Au__TE_498189415365_001 Monovacancy formation energy and relaxation volume for fcc Au
VacancyFormationMigration_fcc_Au__TE_591056455495_001 Vacancy formation and migration energy for fcc Au
B
Test Title
CohesiveEnergyVsLatticeConstant_bcc_B__TE_811959674630_004 Cohesive energy versus lattice constant curve for bcc B v004
CohesiveEnergyVsLatticeConstant_diamond_B__TE_039437721004_004 Cohesive energy versus lattice constant curve for diamond B v004
CohesiveEnergyVsLatticeConstant_fcc_B__TE_734841305402_004 Cohesive energy versus lattice constant curve for fcc B v004
CohesiveEnergyVsLatticeConstant_sc_B__TE_183625871233_004 Cohesive energy versus lattice constant curve for sc B v004
ElasticConstantsCubic_bcc_B__TE_228893374040_006 Elastic constants for bcc B at zero temperature v006
ElasticConstantsCubic_diamond_B__TE_746781018494_001 Elastic constants for diamond B at zero temperature v001
ElasticConstantsCubic_fcc_B__TE_707916109159_006 Elastic constants for fcc B at zero temperature v006
ElasticConstantsCubic_sc_B__TE_342440086073_006 Elastic constants for sc B at zero temperature v006
ElasticConstantsHexagonal_hcp_B__TE_775746396107_004 Elastic constants for hcp B at zero temperature v004
EquilibriumCrystalStructure_A12B_cF52_225_h_b_BHf__TE_696993967517_002 Equilibrium crystal structure and energy for BHf in AFLOW crystal prototype A12B_cF52_225_h_b v002
EquilibriumCrystalStructure_A12B_cF52_225_h_b_BZr__TE_095224163006_002 Equilibrium crystal structure and energy for BZr in AFLOW crystal prototype A12B_cF52_225_h_b v002
EquilibriumCrystalStructure_A13B2_hR15_166_a2h_c_BC__TE_791939401458_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype A13B2_hR15_166_a2h_c v002
EquilibriumCrystalStructure_A13B2_hR15_166_a2h_c_BN__TE_015904843039_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype A13B2_hR15_166_a2h_c v002
EquilibriumCrystalStructure_A2B3_hP15_144_2a_3a_BO__TE_509726413662_002 Equilibrium crystal structure and energy for BO in AFLOW crystal prototype A2B3_hP15_144_2a_3a v002
EquilibriumCrystalStructure_A2B3_hP15_152_c_ac_BO__TE_676157938443_002 Equilibrium crystal structure and energy for BO in AFLOW crystal prototype A2B3_hP15_152_c_ac v002
EquilibriumCrystalStructure_A2B5_mP56_14_4e_10e_BH__TE_485207544204_002 Equilibrium crystal structure and energy for BH in AFLOW crystal prototype A2B5_mP56_14_4e_10e v002
EquilibriumCrystalStructure_A2B8C_oP88_19_4a_16a_2a_BHN__TE_317613411116_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype A2B8C_oP88_19_4a_16a_2a v001
EquilibriumCrystalStructure_A2B_hP3_191_c_b_BHf__TE_232805042838_002 Equilibrium crystal structure and energy for BHf in AFLOW crystal prototype A2B_hP3_191_c_b v002
EquilibriumCrystalStructure_A2B_hP3_191_c_b_BZr__TE_152458402435_002 Equilibrium crystal structure and energy for BZr in AFLOW crystal prototype A2B_hP3_191_c_b v002
EquilibriumCrystalStructure_A2B_mC12_12_2i_i_BO__TE_118337720120_002 Equilibrium crystal structure and energy for BO in AFLOW crystal prototype A2B_mC12_12_2i_i v002
EquilibriumCrystalStructure_A2BC_hP4_156_ab_a_b_BCN__TE_706166553683_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_hP4_156_ab_a_b v001
EquilibriumCrystalStructure_A2BC_hR4_160_2a_a_a_BCN__TE_976678189184_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_hR4_160_2a_a_a v001
EquilibriumCrystalStructure_A2BC_oP8_25_2abd_cd_bc_BCN__TE_616460869466_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_oP8_25_2abd_cd_bc v001
EquilibriumCrystalStructure_A2BC_oP8_51_ef_e_f_BCN__TE_736786511365_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_oP8_51_ef_e_f v001
EquilibriumCrystalStructure_A2BC_tP4_115_g_a_c_BCN__TE_799541299325_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_tP4_115_g_a_c v001
EquilibriumCrystalStructure_A3B10C3_oP32_51_2ef_e3f3k_ek_BCN__TE_603582464119_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A3B10C3_oP32_51_2ef_e3f3k_ek v001
EquilibriumCrystalStructure_A3B12C_oC64_63_cf_2f2gh_c_BHN__TE_174394553193_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype A3B12C_oC64_63_cf_2f2gh_c v001
EquilibriumCrystalStructure_A3B5_oC64_36_2a2b_2a4b_BH__TE_282635454860_002 Equilibrium crystal structure and energy for BH in AFLOW crystal prototype A3B5_oC64_36_2a2b_2a4b v002
EquilibriumCrystalStructure_A4B_hR15_166_2h_ac_BC__TE_481237862255_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype A4B_hR15_166_2h_ac v002
EquilibriumCrystalStructure_A5B12CD12_oC120_41_a2b_6b_a_6b_BHNO__TE_911641730288_001 Equilibrium crystal structure and energy for BHNO in AFLOW crystal prototype A5B12CD12_oC120_41_a2b_6b_a_6b v001
EquilibriumCrystalStructure_A5B9_tI28_107_ad_acd_BH__TE_188062493046_002 Equilibrium crystal structure and energy for BH in AFLOW crystal prototype A5B9_tI28_107_ad_acd v002
EquilibriumCrystalStructure_A6B10C_cF136_202_h_fh_c_BHN__TE_087692125717_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype A6B10C_cF136_202_h_fh_c v001
EquilibriumCrystalStructure_A6B_hR14_166_2h_c_BO__TE_553161255492_002 Equilibrium crystal structure and energy for BO in AFLOW crystal prototype A6B_hR14_166_2h_c v002
EquilibriumCrystalStructure_A_hR105_166_ac9h4i_B__TE_141024710025_002 Equilibrium crystal structure and energy for B in AFLOW crystal prototype A_hR105_166_ac9h4i v002
EquilibriumCrystalStructure_A_hR12_166_2h_B__TE_315587000420_002 Equilibrium crystal structure and energy for B in AFLOW crystal prototype A_hR12_166_2h v002
EquilibriumCrystalStructure_A_hR15_166_ac2h_B__TE_540900283451_002 Equilibrium crystal structure and energy for B in AFLOW crystal prototype A_hR15_166_ac2h v002
EquilibriumCrystalStructure_A_oP28_58_3g2h_B__TE_034816233337_002 Equilibrium crystal structure and energy for B in AFLOW crystal prototype A_oP28_58_3g2h v002
EquilibriumCrystalStructure_A_tP48_134_2m2n_B__TE_255371107614_002 Equilibrium crystal structure and energy for B in AFLOW crystal prototype A_tP48_134_2m2n v002
EquilibriumCrystalStructure_A_tP50_134_a2m2n_B__TE_303670048521_002 Equilibrium crystal structure and energy for B in AFLOW crystal prototype A_tP50_134_a2m2n v002
EquilibriumCrystalStructure_AB2C_oP4_25_a_bd_c_BCN__TE_131202134408_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype AB2C_oP4_25_a_bd_c v001
EquilibriumCrystalStructure_AB2C_oP8_17_a_bd_c_BCN__TE_104637621638_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype AB2C_oP8_17_a_bd_c v001
EquilibriumCrystalStructure_AB2C_tP48_96_ab_2a2b_ab_BHN__TE_781335410572_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB2C_tP48_96_ab_2a2b_ab v001
EquilibriumCrystalStructure_AB3_aP16_2_2i_6i_BH__TE_304661383536_002 Equilibrium crystal structure and energy for BH in AFLOW crystal prototype AB3_aP16_2_2i_6i v002
EquilibriumCrystalStructure_AB3_mP16_14_e_3e_BH__TE_347153396188_002 Equilibrium crystal structure and energy for BH in AFLOW crystal prototype AB3_mP16_14_e_3e v002
EquilibriumCrystalStructure_AB3C3_aP28_2_2i_6i_6i_BHO__TE_938329390621_001 Equilibrium crystal structure and energy for BHO in AFLOW crystal prototype AB3C3_aP28_2_2i_6i_6i v001
EquilibriumCrystalStructure_AB3C3_hP42_145_2a_6a_6a_BHO__TE_023293611926_001 Equilibrium crystal structure and energy for BHO in AFLOW crystal prototype AB3C3_hP42_145_2a_6a_6a v001
EquilibriumCrystalStructure_AB5_aP12_2_i_5i_BC__TE_735418903006_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB5_aP12_2_i_5i v002
EquilibriumCrystalStructure_AB5_hP6_156_a_a2b2c_BC__TE_743185009032_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB5_hP6_156_a_a2b2c v002
EquilibriumCrystalStructure_AB5_oI12_44_a_b2c_BC__TE_673151583381_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB5_oI12_44_a_b2c v002
EquilibriumCrystalStructure_AB5_tI24_141_a_b2e_BC__TE_212055480349_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB5_tI24_141_a_b2e v002
EquilibriumCrystalStructure_AB6C_mP16_4_a_6a_a_BHN__TE_661342968576_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_mP16_4_a_6a_a v001
EquilibriumCrystalStructure_AB6C_mP32_4_2a_12a_2a_BHN__TE_914282118282_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_mP32_4_2a_12a_2a v001
EquilibriumCrystalStructure_AB6C_oC32_36_a_2a2b_a_BHN__TE_126390875943_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_oC32_36_a_2a2b_a v001
EquilibriumCrystalStructure_AB6C_oP16_31_a_2a2b_a_BHN__TE_793938713686_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_oP16_31_a_2a2b_a v001
EquilibriumCrystalStructure_AB6C_oP32_62_c_2c2d_c_BHN__TE_634585559441_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_oP32_62_c_2c2d_c v001
EquilibriumCrystalStructure_AB7_cP8_215_a_ce_BC__TE_157083331342_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB7_cP8_215_a_ce v002
EquilibriumCrystalStructure_AB7_hP8_156_b_4ab2c_BC__TE_454098158749_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB7_hP8_156_b_4ab2c v002
EquilibriumCrystalStructure_AB7_hR8_160_a_7a_BC__TE_439416620281_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB7_hR8_160_a_7a v002
EquilibriumCrystalStructure_AB7_oP8_25_a_bcdef_BC__TE_918331257780_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB7_oP8_25_a_bcdef v002
EquilibriumCrystalStructure_AB7_tP8_115_b_ce2g_BC__TE_916594299875_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB7_tP8_115_b_ce2g v002
EquilibriumCrystalStructure_AB8C_oP20_28_c_2c3d_a_BHN__TE_319625577364_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB8C_oP20_28_c_2c3d_a v001
EquilibriumCrystalStructure_AB_cF8_216_a_c_BN__TE_776691913474_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_BHf__TE_758401171743_002 Equilibrium crystal structure and energy for BHf in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_BZr__TE_835049821123_002 Equilibrium crystal structure and energy for BZr in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_BN__TE_461177257061_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_187_ad_be_BN__TE_143940932040_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hP4_187_ad_be v002
EquilibriumCrystalStructure_AB_hP4_194_b_c_BN__TE_648391945309_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hP4_194_b_c v002
EquilibriumCrystalStructure_AB_hP4_194_c_b_BN__TE_456528850060_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hP4_194_c_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_d_BN__TE_811110678305_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hP4_194_c_d v002
EquilibriumCrystalStructure_AB_hR2_160_a_a_BN__TE_075156187531_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hR2_160_a_a v002
EquilibriumCrystalStructure_AB_mC16_8_4a_4a_BN__TE_880599067058_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_mC16_8_4a_4a v002
EquilibriumCrystalStructure_AB_mC16_9_2a_2a_BN__TE_216630860920_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_mC16_9_2a_2a v002
EquilibriumCrystalStructure_AB_oF32_70_e_f_BN__TE_693023188928_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_oF32_70_e_f v002
EquilibriumCrystalStructure_AB_oP8_62_c_c_BN__TE_188369056427_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_oP8_62_c_c v002
EquilibriumCrystalStructure_AB_tP8_131_j_l_BN__TE_394582559450_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_tP8_131_j_l v002
EquilibriumCrystalStructure_ABC2_cP96_218_i_i_2i_BHO__TE_534415799921_001 Equilibrium crystal structure and energy for BHO in AFLOW crystal prototype ABC2_cP96_218_i_i_2i v001
EquilibriumCrystalStructure_ABC2_mP48_14_3e_3e_6e_BHO__TE_843507864926_001 Equilibrium crystal structure and energy for BHO in AFLOW crystal prototype ABC2_mP48_14_3e_3e_6e v001
LatticeConstantCubicEnergy_bcc_B__TE_000931068954_007 Equilibrium zero-temperature lattice constant for bcc B v007
LatticeConstantCubicEnergy_diamond_B__TE_670363994573_007 Equilibrium zero-temperature lattice constant for diamond B v007
LatticeConstantCubicEnergy_fcc_B__TE_527677346230_007 Equilibrium zero-temperature lattice constant for fcc B v007
LatticeConstantCubicEnergy_sc_B__TE_098052217888_007 Equilibrium zero-temperature lattice constant for sc B v007
LatticeConstantHexagonalEnergy_hcp_B__TE_311000614460_005 Equilibrium lattice constants for hcp B v005
Ba
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Ba__TE_769758171403_004 Cohesive energy versus lattice constant curve for bcc Ba v004
CohesiveEnergyVsLatticeConstant_diamond_Ba__TE_351877113593_004 Cohesive energy versus lattice constant curve for diamond Ba v004
CohesiveEnergyVsLatticeConstant_fcc_Ba__TE_749244102917_004 Cohesive energy versus lattice constant curve for fcc Ba v004
CohesiveEnergyVsLatticeConstant_sc_Ba__TE_678835721856_004 Cohesive energy versus lattice constant curve for sc Ba v004
ElasticConstantsCubic_bcc_Ba__TE_379666311497_006 Elastic constants for bcc Ba at zero temperature v006
ElasticConstantsCubic_diamond_Ba__TE_913811236149_001 Elastic constants for diamond Ba at zero temperature v001
ElasticConstantsCubic_fcc_Ba__TE_028215832804_006 Elastic constants for fcc Ba at zero temperature v006
ElasticConstantsCubic_sc_Ba__TE_788271286509_006 Elastic constants for sc Ba at zero temperature v006
ElasticConstantsHexagonal_hcp_Ba__TE_413229642574_004 Elastic constants for hcp Ba at zero temperature v004
EquilibriumCrystalStructure_A_cF4_225_a_Ba__TE_508851715797_002 Equilibrium crystal structure and energy for Ba in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Ba__TE_275260213720_002 Equilibrium crystal structure and energy for Ba in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_cP1_221_a_Ba__TE_999712225313_002 Equilibrium crystal structure and energy for Ba in AFLOW crystal prototype A_cP1_221_a v002
EquilibriumCrystalStructure_A_hP1_191_a_Ba__TE_337411260806_002 Equilibrium crystal structure and energy for Ba in AFLOW crystal prototype A_hP1_191_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Ba__TE_668613772621_002 Equilibrium crystal structure and energy for Ba in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_oC4_63_c_Ba__TE_530105282367_002 Equilibrium crystal structure and energy for Ba in AFLOW crystal prototype A_oC4_63_c v002
EquilibriumCrystalStructure_A_tI8_140_h_Ba__TE_533245032119_002 Equilibrium crystal structure and energy for Ba in AFLOW crystal prototype A_tI8_140_h v002
LatticeConstantCubicEnergy_bcc_Ba__TE_628533727190_007 Equilibrium zero-temperature lattice constant for bcc Ba v007
LatticeConstantCubicEnergy_diamond_Ba__TE_263282441403_007 Equilibrium zero-temperature lattice constant for diamond Ba v007
LatticeConstantCubicEnergy_fcc_Ba__TE_036715550744_007 Equilibrium zero-temperature lattice constant for fcc Ba v007
LatticeConstantCubicEnergy_sc_Ba__TE_319244803696_007 Equilibrium zero-temperature lattice constant for sc Ba v007
LatticeConstantHexagonalEnergy_hcp_Ba__TE_172962583475_005 Equilibrium lattice constants for hcp Ba v005
LinearThermalExpansionCoeff_bcc_Ba__TE_132553522497_002 Linear thermal expansion coefficient of bcc Ba at 293.15 K under a pressure of 0 MPa v002
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Ba__TE_183188645541_004 Broken-bond fit of high-symmetry surface energies in bcc Ba v004
VacancyFormationEnergyRelaxationVolume_bcc_Ba__TE_712115318845_001 Monovacancy formation energy and relaxation volume for bcc Ba
VacancyFormationMigration_bcc_Ba__TE_595751513940_001 Vacancy formation and migration energy for bcc Ba
Be
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Be__TE_766201086913_004 Cohesive energy versus lattice constant curve for bcc Be v004
CohesiveEnergyVsLatticeConstant_diamond_Be__TE_655516394738_004 Cohesive energy versus lattice constant curve for diamond Be v004
CohesiveEnergyVsLatticeConstant_fcc_Be__TE_375258722428_004 Cohesive energy versus lattice constant curve for fcc Be v004
CohesiveEnergyVsLatticeConstant_sc_Be__TE_079610064854_004 Cohesive energy versus lattice constant curve for sc Be v004
ElasticConstantsCubic_bcc_Be__TE_363294479860_006 Elastic constants for bcc Be at zero temperature v006
ElasticConstantsCubic_diamond_Be__TE_802667182683_001 Elastic constants for diamond Be at zero temperature v001
ElasticConstantsCubic_fcc_Be__TE_464499566623_006 Elastic constants for fcc Be at zero temperature v006
ElasticConstantsCubic_sc_Be__TE_840938621057_006 Elastic constants for sc Be at zero temperature v006
ElasticConstantsHexagonal_hcp_Be__TE_928974544012_004 Elastic constants for hcp Be at zero temperature v004
EquilibriumCrystalStructure_A_cI2_229_a_Be__TE_031780403567_002 Equilibrium crystal structure and energy for Be in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Be__TE_444701933506_002 Equilibrium crystal structure and energy for Be in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_BeO__TE_488949394815_002 Equilibrium crystal structure and energy for BeO in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_BeO__TE_624556159329_002 Equilibrium crystal structure and energy for BeO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_BeO__TE_316612977232_002 Equilibrium crystal structure and energy for BeO in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_tP8_136_f_g_BeO__TE_678737422118_002 Equilibrium crystal structure and energy for BeO in AFLOW crystal prototype AB_tP8_136_f_g v002
LatticeConstantCubicEnergy_bcc_Be__TE_089624007940_007 Equilibrium zero-temperature lattice constant for bcc Be v007
LatticeConstantCubicEnergy_diamond_Be__TE_051142216533_007 Equilibrium zero-temperature lattice constant for diamond Be v007
LatticeConstantCubicEnergy_fcc_Be__TE_104905757100_007 Equilibrium zero-temperature lattice constant for fcc Be v007
LatticeConstantCubicEnergy_sc_Be__TE_846213341201_007 Equilibrium zero-temperature lattice constant for sc Be v007
LatticeConstantHexagonalEnergy_hcp_Be__TE_547199326822_005 Equilibrium lattice constants for hcp Be v005
VacancyFormationEnergyRelaxationVolume_hcp_Be__TE_232894419215_001 Monovacancy formation energy and relaxation volume for hcp Be
VacancyFormationMigration_hcp_Be__TE_844372083395_001 Vacancy formation and migration energy for hcp Be
Bi
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Bi__TE_107084362228_004 Cohesive energy versus lattice constant curve for bcc Bi v004
CohesiveEnergyVsLatticeConstant_diamond_Bi__TE_116478694157_004 Cohesive energy versus lattice constant curve for diamond Bi v004
CohesiveEnergyVsLatticeConstant_fcc_Bi__TE_276735455181_004 Cohesive energy versus lattice constant curve for fcc Bi v004
CohesiveEnergyVsLatticeConstant_sc_Bi__TE_250884749176_004 Cohesive energy versus lattice constant curve for sc Bi v004
ElasticConstantsCubic_bcc_Bi__TE_875457336876_006 Elastic constants for bcc Bi at zero temperature v006
ElasticConstantsCubic_diamond_Bi__TE_733814559375_001 Elastic constants for diamond Bi at zero temperature v001
ElasticConstantsCubic_fcc_Bi__TE_297222389470_006 Elastic constants for fcc Bi at zero temperature v006
ElasticConstantsCubic_sc_Bi__TE_729094717582_006 Elastic constants for sc Bi at zero temperature v006
ElasticConstantsHexagonal_hcp_Bi__TE_906501178429_004 Elastic constants for hcp Bi at zero temperature v004
EquilibriumCrystalStructure_A_cI2_229_a_Bi__TE_846698257476_002 Equilibrium crystal structure and energy for Bi in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_cP1_221_a_Bi__TE_247757782444_002 Equilibrium crystal structure and energy for Bi in AFLOW crystal prototype A_cP1_221_a v002
EquilibriumCrystalStructure_A_hR2_166_c_Bi__TE_457123132671_002 Equilibrium crystal structure and energy for Bi in AFLOW crystal prototype A_hR2_166_c v002
EquilibriumCrystalStructure_A_mC4_12_i_Bi__TE_956535068243_002 Equilibrium crystal structure and energy for Bi in AFLOW crystal prototype A_mC4_12_i v002
EquilibriumCrystalStructure_A_mP2_10_m_Bi__TE_497662535507_002 Equilibrium crystal structure and energy for Bi in AFLOW crystal prototype A_mP2_10_m v002
EquilibriumCrystalStructure_A_mP4_11_2e_Bi__TE_501894239543_002 Equilibrium crystal structure and energy for Bi in AFLOW crystal prototype A_mP4_11_2e v002
EquilibriumCrystalStructure_A_mP8_14_2e_Bi__TE_451210516199_002 Equilibrium crystal structure and energy for Bi in AFLOW crystal prototype A_mP8_14_2e v002
EquilibriumCrystalStructure_A_oC16_64_df_Bi__TE_060065124824_002 Equilibrium crystal structure and energy for Bi in AFLOW crystal prototype A_oC16_64_df v002
EquilibriumCrystalStructure_A_tI2_139_a_Bi__TE_669989656057_002 Equilibrium crystal structure and energy for Bi in AFLOW crystal prototype A_tI2_139_a v002
EquilibriumCrystalStructure_A_tI8_140_h_Bi__TE_710689157315_002 Equilibrium crystal structure and energy for Bi in AFLOW crystal prototype A_tI8_140_h v002
LatticeConstantCubicEnergy_bcc_Bi__TE_753267711918_007 Equilibrium zero-temperature lattice constant for bcc Bi v007
LatticeConstantCubicEnergy_diamond_Bi__TE_033253942573_007 Equilibrium zero-temperature lattice constant for diamond Bi v007
LatticeConstantCubicEnergy_fcc_Bi__TE_919750802182_007 Equilibrium zero-temperature lattice constant for fcc Bi v007
LatticeConstantCubicEnergy_sc_Bi__TE_454146873464_007 Equilibrium zero-temperature lattice constant for sc Bi v007
LatticeConstantHexagonalEnergy_hcp_Bi__TE_963637159174_005 Equilibrium lattice constants for hcp Bi v005
Bk
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Bk__TE_144239705742_004 Cohesive energy versus lattice constant curve for bcc Bk v004
CohesiveEnergyVsLatticeConstant_diamond_Bk__TE_740721987986_004 Cohesive energy versus lattice constant curve for diamond Bk v004
CohesiveEnergyVsLatticeConstant_fcc_Bk__TE_752524945006_004 Cohesive energy versus lattice constant curve for fcc Bk v004
CohesiveEnergyVsLatticeConstant_sc_Bk__TE_744743721040_004 Cohesive energy versus lattice constant curve for sc Bk v004
ElasticConstantsCubic_bcc_Bk__TE_865813425083_006 Elastic constants for bcc Bk at zero temperature v006
ElasticConstantsCubic_diamond_Bk__TE_689120323665_001 Elastic constants for diamond Bk at zero temperature v001
ElasticConstantsCubic_fcc_Bk__TE_957044623765_006 Elastic constants for fcc Bk at zero temperature v006
ElasticConstantsCubic_sc_Bk__TE_668648525256_006 Elastic constants for sc Bk at zero temperature v006
ElasticConstantsHexagonal_hcp_Bk__TE_222173785095_004 Elastic constants for hcp Bk at zero temperature v004
LatticeConstantCubicEnergy_bcc_Bk__TE_817871610175_007 Equilibrium zero-temperature lattice constant for bcc Bk v007
LatticeConstantCubicEnergy_diamond_Bk__TE_614124640089_007 Equilibrium zero-temperature lattice constant for diamond Bk v007
LatticeConstantCubicEnergy_fcc_Bk__TE_895232443401_007 Equilibrium zero-temperature lattice constant for fcc Bk v007
LatticeConstantCubicEnergy_sc_Bk__TE_810342008822_007 Equilibrium zero-temperature lattice constant for sc Bk v007
LatticeConstantHexagonalEnergy_hcp_Bk__TE_721811857706_005 Equilibrium lattice constants for hcp Bk v005
Br
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Br__TE_859364101283_004 Cohesive energy versus lattice constant curve for bcc Br v004
CohesiveEnergyVsLatticeConstant_diamond_Br__TE_095504984244_004 Cohesive energy versus lattice constant curve for diamond Br v004
CohesiveEnergyVsLatticeConstant_fcc_Br__TE_828393350449_004 Cohesive energy versus lattice constant curve for fcc Br v004
CohesiveEnergyVsLatticeConstant_sc_Br__TE_204686755455_004 Cohesive energy versus lattice constant curve for sc Br v004
ElasticConstantsCubic_bcc_Br__TE_481234687340_006 Elastic constants for bcc Br at zero temperature v006
ElasticConstantsCubic_diamond_Br__TE_064188268873_001 Elastic constants for diamond Br at zero temperature v001
ElasticConstantsCubic_fcc_Br__TE_620132153671_006 Elastic constants for fcc Br at zero temperature v006
ElasticConstantsCubic_sc_Br__TE_849427400581_006 Elastic constants for sc Br at zero temperature v006
ElasticConstantsHexagonal_hcp_Br__TE_305256026023_004 Elastic constants for hcp Br at zero temperature v004
EquilibriumCrystalStructure_A2BC_tP4_123_g_c_a_BrCsF__TE_372293869540_001 Equilibrium crystal structure and energy for BrCsF in AFLOW crystal prototype A2BC_tP4_123_g_c_a v001
EquilibriumCrystalStructure_A3BC2_oI12_71_af_b_e_BrCsLi__TE_574176730329_001 Equilibrium crystal structure and energy for BrCsLi in AFLOW crystal prototype A3BC2_oI12_71_af_b_e v001
EquilibriumCrystalStructure_A4B3C_oC32_20_2ac_bc_b_BrCsLi__TE_343207272815_001 Equilibrium crystal structure and energy for BrCsLi in AFLOW crystal prototype A4B3C_oC32_20_2ac_bc_b v001
EquilibriumCrystalStructure_A_cF4_225_a_Br__TE_760585957874_002 Equilibrium crystal structure and energy for Br in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_oC8_64_f_Br__TE_353757444301_002 Equilibrium crystal structure and energy for Br in AFLOW crystal prototype A_oC8_64_f v002
EquilibriumCrystalStructure_A_oI2_71_a_Br__TE_490558405327_002 Equilibrium crystal structure and energy for Br in AFLOW crystal prototype A_oI2_71_a v002
EquilibriumCrystalStructure_A_tI2_139_a_Br__TE_454907619169_002 Equilibrium crystal structure and energy for Br in AFLOW crystal prototype A_tI2_139_a v002
EquilibriumCrystalStructure_AB3_oC16_36_a_3a_BrF__TE_956470490059_002 Equilibrium crystal structure and energy for BrF in AFLOW crystal prototype AB3_oC16_36_a_3a v002
EquilibriumCrystalStructure_AB4C_tI24_140_b_l_c_BrFK__TE_166877561465_001 Equilibrium crystal structure and energy for BrFK in AFLOW crystal prototype AB4C_tI24_140_b_l_c v001
EquilibriumCrystalStructure_AB4C_tI24_140_d_l_a_BrFK__TE_518064975328_001 Equilibrium crystal structure and energy for BrFK in AFLOW crystal prototype AB4C_tI24_140_d_l_a v001
EquilibriumCrystalStructure_AB4C_tI24_140_d_l_c_BrFRb__TE_166427862354_001 Equilibrium crystal structure and energy for BrFRb in AFLOW crystal prototype AB4C_tI24_140_d_l_c v001
EquilibriumCrystalStructure_AB5_oC24_36_a_3ab_BrF__TE_023569459169_002 Equilibrium crystal structure and energy for BrF in AFLOW crystal prototype AB5_oC24_36_a_3ab v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_BrCs__TE_434376767011_002 Equilibrium crystal structure and energy for BrCs in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_BrK__TE_399058838325_002 Equilibrium crystal structure and energy for BrK in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_BrLi__TE_729989978182_002 Equilibrium crystal structure and energy for BrLi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_BrNa__TE_860960835035_002 Equilibrium crystal structure and energy for BrNa in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_BrRb__TE_452143386273_002 Equilibrium crystal structure and energy for BrRb in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_BrCs__TE_974986552056_002 Equilibrium crystal structure and energy for BrCs in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_BrK__TE_414157765132_002 Equilibrium crystal structure and energy for BrK in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_BrRb__TE_667104633433_002 Equilibrium crystal structure and energy for BrRb in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_oC8_36_a_a_BrCl__TE_799365271293_002 Equilibrium crystal structure and energy for BrCl in AFLOW crystal prototype AB_oC8_36_a_a v002
EquilibriumCrystalStructure_ABC6_hR8_148_a_b_f_BrCsF__TE_859521367021_001 Equilibrium crystal structure and energy for BrCsF in AFLOW crystal prototype ABC6_hR8_148_a_b_f v001
EquilibriumCrystalStructure_ABC_tI12_139_e_e_e_BrCsF__TE_369596009483_001 Equilibrium crystal structure and energy for BrCsF in AFLOW crystal prototype ABC_tI12_139_e_e_e v001
LatticeConstantCubicEnergy_bcc_Br__TE_813574101302_007 Equilibrium zero-temperature lattice constant for bcc Br v007
LatticeConstantCubicEnergy_diamond_Br__TE_639215381427_007 Equilibrium zero-temperature lattice constant for diamond Br v007
LatticeConstantCubicEnergy_fcc_Br__TE_574345888223_007 Equilibrium zero-temperature lattice constant for fcc Br v007
LatticeConstantCubicEnergy_sc_Br__TE_381199571569_007 Equilibrium zero-temperature lattice constant for sc Br v007
LatticeConstantHexagonalEnergy_hcp_Br__TE_938515319592_005 Equilibrium lattice constants for hcp Br v005
C
Test Title
CohesiveEnergyVsLatticeConstant_bcc_C__TE_381992859743_004 Cohesive energy versus lattice constant curve for bcc C v004
CohesiveEnergyVsLatticeConstant_diamond_C__TE_609752483801_004 Cohesive energy versus lattice constant curve for diamond C v004
CohesiveEnergyVsLatticeConstant_fcc_C__TE_004682584752_004 Cohesive energy versus lattice constant curve for fcc C v004
CohesiveEnergyVsLatticeConstant_sc_C__TE_095514597201_004 Cohesive energy versus lattice constant curve for sc C v004
ElasticConstantsCubic_bcc_C__TE_658794163909_006 Elastic constants for bcc C at zero temperature v006
ElasticConstantsCubic_diamond_C__TE_266299090062_001 Elastic constants for diamond C at zero temperature v001
ElasticConstantsCubic_fcc_C__TE_000146156270_006 Elastic constants for fcc C at zero temperature v006
ElasticConstantsCubic_sc_C__TE_994329625827_006 Elastic constants for sc C at zero temperature v006
ElasticConstantsHexagonal_hcp_C__TE_638600582934_004 Elastic constants for hcp C at zero temperature v004
EquilibriumCrystalStructure_A11B4_oP15_16_abcjku_u_CN__TE_823460845504_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A11B4_oP15_16_abcjku_u v002
EquilibriumCrystalStructure_A11B4_tP15_111_abcmn_n_CN__TE_507095464218_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A11B4_tP15_111_abcmn_n v002
EquilibriumCrystalStructure_A11B7_mC72_12_5i3j_i3j_CF__TE_264100973495_002 Equilibrium crystal structure and energy for CF in AFLOW crystal prototype A11B7_mC72_12_5i3j_i3j v002
EquilibriumCrystalStructure_A13B2_hR15_166_a2h_c_BC__TE_791939401458_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype A13B2_hR15_166_a2h_c v002
EquilibriumCrystalStructure_A19B34_mP106_4_19a_34a_CH__TE_699147369012_002 Equilibrium crystal structure and energy for CH in AFLOW crystal prototype A19B34_mP106_4_19a_34a v002
EquilibriumCrystalStructure_A2B10C10D_mP92_14_2e_10e_10e_e_CHOV__TE_270910259529_001 Equilibrium crystal structure and energy for CHOV in AFLOW crystal prototype A2B10C10D_mP92_14_2e_10e_10e_e v001
EquilibriumCrystalStructure_A2B10C2D5_oP38_18_c_5c_c_a2c_CHNO__TE_506793158318_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B10C2D5_oP38_18_c_5c_c_a2c v001
EquilibriumCrystalStructure_A2B12C14D_mP58_13_g_6g_7g_e_CHNO__TE_476444307518_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B12C14D_mP58_13_g_6g_7g_e v001
EquilibriumCrystalStructure_A2B2C2D_oP28_62_2c_2c_2c_c_CHNO__TE_282668712810_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B2C2D_oP28_62_2c_2c_2c_c v001
EquilibriumCrystalStructure_A2B3C5_mC20_12_i_ai_c2i_AlCTi__TE_175934699435_001 Equilibrium crystal structure and energy for AlCTi in AFLOW crystal prototype A2B3C5_mC20_12_i_ai_c2i v001
EquilibriumCrystalStructure_A2B4C6D_oP52_54_f_2f_2c2f_c_CHOV__TE_917387636678_001 Equilibrium crystal structure and energy for CHOV in AFLOW crystal prototype A2B4C6D_oP52_54_f_2f_2c2f_c v001
EquilibriumCrystalStructure_A2B4CD2_mC36_12_2i_2j_g_j_CHNO__TE_242691144298_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B4CD2_mC36_12_2i_2j_g_j v001
EquilibriumCrystalStructure_A2B5_aP28_2_4i_10i_CFe__TE_438691954753_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_aP28_2_4i_10i v002
EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f v002
EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CMn__TE_854726940262_002 Equilibrium crystal structure and energy for CMn in AFLOW crystal prototype A2B5_mC28_15_f_e2f v002
EquilibriumCrystalStructure_A2B5CD4_mP48_14_2e_5e_e_4e_CHNO__TE_154149627579_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B5CD4_mP48_14_2e_5e_e_4e v001
EquilibriumCrystalStructure_A2B5CD_hR54_161_2b_5b_b_b_CHNO__TE_288919937723_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B5CD_hR54_161_2b_5b_b_b v001
EquilibriumCrystalStructure_A2B6C4D_mP52_14_2e_6e_4e_e_CHNO__TE_394016799744_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B6C4D_mP52_14_2e_6e_4e_e v001
EquilibriumCrystalStructure_A2B6CD_oP40_59_ef_ef2g_ab_e_CHNO__TE_206186125589_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B6CD_oP40_59_ef_ef2g_ab_e v001
EquilibriumCrystalStructure_A2B7C7D6_aP44_2_2i_7i_7i_6i_CHNO__TE_873344092083_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B7C7D6_aP44_2_2i_7i_7i_6i v001
EquilibriumCrystalStructure_A2B8C2D3_oP60_33_2a_8a_2a_3a_CHNO__TE_013126159028_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C2D3_oP60_33_2a_8a_2a_3a v001
EquilibriumCrystalStructure_A2B8C6D3_mP76_14_2e_8e_6e_3e_CHNO__TE_627320406759_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C6D3_mP76_14_2e_8e_6e_3e v001
EquilibriumCrystalStructure_A2B8C6D7_mC92_15_2e_4f_2e2f_e3f_CHNO__TE_215701241474_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C6D7_mC92_15_2e_4f_2e2f_e3f v001
EquilibriumCrystalStructure_A2B9C11D8_mC120_15_f_e4f_e5f_4f_CHNO__TE_357033213726_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C11D8_mC120_15_f_e4f_e5f_4f v001
EquilibriumCrystalStructure_A2B9C3D3_oP68_33_2a_9a_3a_3a_CHNO__TE_165371576078_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C3D3_oP68_33_2a_9a_3a_3a v001
EquilibriumCrystalStructure_A2B9C7D6_oP96_29_2a_9a_7a_6a_CHNO__TE_636090065077_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C7D6_oP96_29_2a_9a_7a_6a v001
EquilibriumCrystalStructure_A2B9C9D6_aP52_2_2i_9i_9i_6i_CHNO__TE_850841302444_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C9D6_aP52_2_2i_9i_9i_6i v001
EquilibriumCrystalStructure_A2B_cP12_205_c_a_CSi__TE_975488144454_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype A2B_cP12_205_c_a v002
EquilibriumCrystalStructure_A2B_cP72_205_2d_d_CN__TE_050827134382_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A2B_cP72_205_2d_d v002
EquilibriumCrystalStructure_A2B_tP6_131_i_e_CSi__TE_797499413755_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype A2B_tP6_131_i_e v002
EquilibriumCrystalStructure_A2BC2_mP20_11_4e_2e_4e_CHO__TE_964651700599_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype A2BC2_mP20_11_4e_2e_4e v001
EquilibriumCrystalStructure_A2BC3_hP12_194_f_b_af_CSiTi__TE_076502076429_001 Equilibrium crystal structure and energy for CSiTi in AFLOW crystal prototype A2BC3_hP12_194_f_b_af v001
EquilibriumCrystalStructure_A2BC3_oC24_36_b_a_ab_CHN__TE_407680374282_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype A2BC3_oC24_36_b_a_ab v001
EquilibriumCrystalStructure_A2BC_hP4_156_ab_a_b_BCN__TE_706166553683_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_hP4_156_ab_a_b v001
EquilibriumCrystalStructure_A2BC_hR4_160_2a_a_a_BCN__TE_976678189184_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_hR4_160_2a_a_a v001
EquilibriumCrystalStructure_A2BC_oP8_25_2abd_cd_bc_BCN__TE_616460869466_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_oP8_25_2abd_cd_bc v001
EquilibriumCrystalStructure_A2BC_oP8_51_ef_e_f_BCN__TE_736786511365_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_oP8_51_ef_e_f v001
EquilibriumCrystalStructure_A2BC_tP4_115_g_a_c_BCN__TE_799541299325_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_tP4_115_g_a_c v001
EquilibriumCrystalStructure_A3B10C3_oP32_51_2ef_e3f3k_ek_BCN__TE_603582464119_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A3B10C3_oP32_51_2ef_e3f3k_ek v001
EquilibriumCrystalStructure_A3B20C4D10_oF148_42_ac_2c4e_e_2a4c_CHNO__TE_503683569064_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B20C4D10_oF148_42_ac_2c4e_e_2a4c v001
EquilibriumCrystalStructure_A3B2_cP20_215_i_2e_CN__TE_506784574792_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B2_cP20_215_i_2e v002
EquilibriumCrystalStructure_A3B2_cP20_221_j_g_CN__TE_800938880199_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B2_cP20_221_j_g v002
EquilibriumCrystalStructure_A3B2_oP40_62_a3cd_2cd_CO__TE_148760763353_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype A3B2_oP40_62_a3cd_2cd v002
EquilibriumCrystalStructure_A3B2C4_tP36_76_3a_2a_4a_CHO__TE_365702407604_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype A3B2C4_tP36_76_3a_2a_4a v001
EquilibriumCrystalStructure_A3B4_cF56_227_ad_e_CN__TE_228228819275_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_cF56_227_ad_e v002
EquilibriumCrystalStructure_A3B4_cI28_220_a_c_CN__TE_352425132778_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_cI28_220_a_c v002
EquilibriumCrystalStructure_A3B4_cP7_215_c_e_CN__TE_353290416839_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_cP7_215_c_e v002
EquilibriumCrystalStructure_A3B4_cP7_221_d_ac_CNb__TE_789726575271_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype A3B4_cP7_221_d_ac v002
EquilibriumCrystalStructure_A3B4_hP14_176_h_ch_CN__TE_216211219063_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_hP14_176_h_ch v002
EquilibriumCrystalStructure_A3B4_hP14_187_jk_adjk_CN__TE_900450979199_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_hP14_187_jk_adjk v002
EquilibriumCrystalStructure_A3B4_hP28_159_2c_ab2c_CN__TE_001914288846_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_hP28_159_2c_ab2c v002
EquilibriumCrystalStructure_A3B4_hR7_160_b_ab_CN__TE_078134533568_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_hR7_160_b_ab v002
EquilibriumCrystalStructure_A3B5C5D_mP56_14_3e_5e_5e_e_CHNO__TE_673582892737_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B5C5D_mP56_14_3e_5e_5e_e v001
EquilibriumCrystalStructure_A3B6C2D2_mP52_14_3e_6e_2e_2e_CHNO__TE_774790584207_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B6C2D2_mP52_14_3e_6e_2e_2e v001
EquilibriumCrystalStructure_A3B6C4D3_mC128_15_3f_6f_4f_3f_CHNO__TE_406261794933_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B6C4D3_mC128_15_3f_6f_4f_3f v001
EquilibriumCrystalStructure_A3B7_hP20_186_c_b2c_CFe__TE_468360230576_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A3B7_hP20_186_c_b2c v002
EquilibriumCrystalStructure_A3B7C3D5_mC72_15_ef_e3f_ef_e2f_CHNO__TE_338644039739_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B7C3D5_mC72_15_ef_e3f_ef_e2f v001
EquilibriumCrystalStructure_A3B8C2_mP52_14_3e_8e_2e_CHO__TE_885859046696_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype A3B8C2_mP52_14_3e_8e_2e v001
EquilibriumCrystalStructure_A3B8C2D_aP56_2_6i_16i_4i_2i_CHNO__TE_118359337130_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B8C2D_aP56_2_6i_16i_4i_2i v001
EquilibriumCrystalStructure_A3B8C3D3_mP68_14_3e_8e_3e_3e_CHNO__TE_931378353295_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B8C3D3_mP68_14_3e_8e_3e_3e v001
EquilibriumCrystalStructure_A3B9C3D2_oP68_19_3a_9a_3a_2a_CHNO__TE_084777715347_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B9C3D2_oP68_19_3a_9a_3a_2a v001
EquilibriumCrystalStructure_A3B9C_oP104_62_2c2d_2c8d_2c_CHP__TE_256955794590_001 Equilibrium crystal structure and energy for CHP in AFLOW crystal prototype A3B9C_oP104_62_2c2d_2c8d_2c v001
EquilibriumCrystalStructure_A4B11CD10_aP52_2_4i_11i_i_10i_CHNO__TE_395540322167_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A4B11CD10_aP52_2_4i_11i_i_10i v001
EquilibriumCrystalStructure_A4B12C3D2_mC84_15_2f_6f_ef_f_CHOP__TE_967232307535_001 Equilibrium crystal structure and energy for CHOP in AFLOW crystal prototype A4B12C3D2_mC84_15_2f_6f_ef_f v001
EquilibriumCrystalStructure_A4B3_hR7_166_2c_ac_AlC__TE_790528349269_002 Equilibrium crystal structure and energy for AlC in AFLOW crystal prototype A4B3_hR7_166_2c_ac v002
EquilibriumCrystalStructure_A4B9CD4_mP72_14_4e_9e_e_4e_CHNO__TE_864918904302_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A4B9CD4_mP72_14_4e_9e_e_4e v001
EquilibriumCrystalStructure_A4B_hR15_166_2h_ac_BC__TE_481237862255_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype A4B_hR15_166_2h_ac v002
EquilibriumCrystalStructure_A5B12C2D_oP40_31_3ab_2a5b_2a_a_CHNO__TE_551930342530_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A5B12C2D_oP40_31_3ab_2a5b_2a_a v001
EquilibriumCrystalStructure_A5B14C2D2_mP92_14_5e_14e_2e_2e_CHNO__TE_506166234426_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A5B14C2D2_mP92_14_5e_14e_2e_2e v001
EquilibriumCrystalStructure_A5B4_hR18_161_2ab_ab_CN__TE_842564654966_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A5B4_hR18_161_2ab_ab v002
EquilibriumCrystalStructure_A5B6_hP33_151_3a2b_3c_CV__TE_018156137961_002 Equilibrium crystal structure and energy for CV in AFLOW crystal prototype A5B6_hP33_151_3a2b_3c v002
EquilibriumCrystalStructure_A5B6_mC22_12_agh_ij_CNb__TE_581431258276_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype A5B6_mC22_12_agh_ij v002
EquilibriumCrystalStructure_A5B8_hR13_166_abd_ch_CTi__TE_004971485365_002 Equilibrium crystal structure and energy for CTi in AFLOW crystal prototype A5B8_hR13_166_abd_ch v002
EquilibriumCrystalStructure_A6B23_cF116_225_e_acfh_CFe__TE_235496680415_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A6B23_cF116_225_e_acfh v002
EquilibriumCrystalStructure_A6B23_cF116_225_e_acfh_CMn__TE_403769113103_002 Equilibrium crystal structure and energy for CMn in AFLOW crystal prototype A6B23_cF116_225_e_acfh v002
EquilibriumCrystalStructure_A6B6C_oP52_62_2c2d_2c2d_c_COV__TE_258007275854_001 Equilibrium crystal structure and energy for COV in AFLOW crystal prototype A6B6C_oP52_62_2c2d_2c2d_c v001
EquilibriumCrystalStructure_A7B8_cP60_212_a2d_ce_CV__TE_932146581915_002 Equilibrium crystal structure and energy for CV in AFLOW crystal prototype A7B8_cP60_212_a2d_ce v002
EquilibriumCrystalStructure_A8B9CD9_mC216_15_8f_9f_f_9f_CHNO__TE_289332527496_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A8B9CD9_mC216_15_8f_9f_f_9f v001
EquilibriumCrystalStructure_A_cF16_227_c_C__TE_895977526516_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF16_227_c v002
EquilibriumCrystalStructure_A_cF240_202_h2i_C__TE_362666351855_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF240_202_h2i v002
EquilibriumCrystalStructure_A_cF8_227_a_C__TE_307953144667_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF8_227_a v002
EquilibriumCrystalStructure_A_cI16_206_c_C__TE_920285683697_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_206_c v002
EquilibriumCrystalStructure_A_cI16_229_f_C__TE_387056888123_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_229_f v002
EquilibriumCrystalStructure_A_cI8_214_a_C__TE_761692555943_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI8_214_a v002
EquilibriumCrystalStructure_A_cP1_221_a_C__TE_447051066978_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP1_221_a v002
EquilibriumCrystalStructure_A_cP20_221_gj_C__TE_965605943044_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP20_221_gj v002
EquilibriumCrystalStructure_A_hP12_194_bc2f_C__TE_326828152130_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_bc2f v002
EquilibriumCrystalStructure_A_hP12_194_e2f_C__TE_777111160000_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_e2f v002
EquilibriumCrystalStructure_A_hP16_194_e3f_C__TE_362815825734_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP16_194_e3f v002
EquilibriumCrystalStructure_A_hP2_191_c_C__TE_937519953396_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP2_191_c v002
EquilibriumCrystalStructure_A_hP4_194_bc_C__TE_355331973316_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_bc v002
EquilibriumCrystalStructure_A_hP4_194_f_C__TE_628136225723_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_f v002
EquilibriumCrystalStructure_A_hP8_194_ef_C__TE_889488665558_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP8_194_ef v002
EquilibriumCrystalStructure_A_hR10_166_5c_C__TE_026880847665_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR10_166_5c v002
EquilibriumCrystalStructure_A_hR14_166_7c_C__TE_139121309488_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR14_166_7c v002
EquilibriumCrystalStructure_A_hR2_166_c_C__TE_228487204909_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR2_166_c v002
EquilibriumCrystalStructure_A_hR4_166_2c_C__TE_896322877990_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR4_166_2c v002
EquilibriumCrystalStructure_A_hR60_166_2h4i_C__TE_757019917536_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR60_166_2h4i v002
EquilibriumCrystalStructure_A_mC16_12_4i_C__TE_335671450529_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_mC16_12_4i v002
EquilibriumCrystalStructure_A_oC16_65_mn_C__TE_245362024952_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC16_65_mn v002
EquilibriumCrystalStructure_A_oC16_65_pq_C__TE_970978470247_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC16_65_pq v002
EquilibriumCrystalStructure_A_oC8_65_gh_C__TE_436280170049_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC8_65_gh v002
EquilibriumCrystalStructure_A_oC8_67_m_C__TE_338644307803_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC8_67_m v002
EquilibriumCrystalStructure_A_oI120_71_lmn6o_C__TE_407657597689_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oI120_71_lmn6o v002
EquilibriumCrystalStructure_A_oP16_62_4c_C__TE_215009453476_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oP16_62_4c v002
EquilibriumCrystalStructure_A_tI8_139_h_C__TE_939583133718_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_tI8_139_h v002
EquilibriumCrystalStructure_AB2_aP18_2_3i_6i_CF__TE_715848908817_002 Equilibrium crystal structure and energy for CF in AFLOW crystal prototype AB2_aP18_2_3i_6i v002
EquilibriumCrystalStructure_AB2_cF48_227_c_e_CTi__TE_399159216146_002 Equilibrium crystal structure and energy for CTi in AFLOW crystal prototype AB2_cF48_227_c_e v002
EquilibriumCrystalStructure_AB2_cP12_205_a_c_CO__TE_849632978017_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_cP12_205_a_c v002
EquilibriumCrystalStructure_AB2_hP3_164_a_d_CNb__TE_568392938315_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB2_hP3_164_a_d v002
EquilibriumCrystalStructure_AB2_hP3_191_a_c_CFe__TE_367814881802_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB2_hP3_191_a_c v002
EquilibriumCrystalStructure_AB2_hP6_164_c_2d_CN__TE_974698702174_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB2_hP6_164_c_2d v002
EquilibriumCrystalStructure_AB2_hR24_167_be_cf_CO__TE_637907094510_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_hR24_167_be_cf v002
EquilibriumCrystalStructure_AB2_oC12_36_a_2a_CN__TE_628265340256_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB2_oC12_36_a_2a v002
EquilibriumCrystalStructure_AB2_oC12_64_a_f_CO__TE_384079398278_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_oC12_64_a_f v002
EquilibriumCrystalStructure_AB2_oP12_60_c_d_CO__TE_659663944469_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_oP12_60_c_d v002
EquilibriumCrystalStructure_AB2_oP12_60_c_d_CV__TE_161264261689_002 Equilibrium crystal structure and energy for CV in AFLOW crystal prototype AB2_oP12_60_c_d v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CFe__TE_506914307810_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CNb__TE_435026019794_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_oP24_19_2a_4a_CO__TE_438712944122_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_oP24_19_2a_4a v002
EquilibriumCrystalStructure_AB2_oP6_58_a_g_CFe__TE_778239902285_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB2_oP6_58_a_g v002
EquilibriumCrystalStructure_AB2_oP6_58_a_g_CO__TE_705411030699_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_oP6_58_a_g v002
EquilibriumCrystalStructure_AB2_tI12_122_a_d_CO__TE_578967523937_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_tI12_122_a_d v002
EquilibriumCrystalStructure_AB2_tI24_122_d_e_CN__TE_293304667675_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB2_tI24_122_d_e v002
EquilibriumCrystalStructure_AB2_tI6_119_a_f_CN__TE_097868968335_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB2_tI6_119_a_f v002
EquilibriumCrystalStructure_AB2_tP12_92_a_b_CO__TE_702678946429_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_tP12_92_a_b v002
EquilibriumCrystalStructure_AB2_tP6_113_a_e_CN__TE_334944146606_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB2_tP6_113_a_e v002
EquilibriumCrystalStructure_AB2_tP6_136_a_f_CO__TE_757141808122_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_tP6_136_a_f v002
EquilibriumCrystalStructure_AB2C2_mP40_14_2e_4e_4e_CHN__TE_076123224219_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB2C2_mP40_14_2e_4e_4e v001
EquilibriumCrystalStructure_AB2C2_oP20_33_a_2a_2a_CHO__TE_371626440832_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB2C2_oP20_33_a_2a_2a v001
EquilibriumCrystalStructure_AB2C2_oP40_61_c_2c_2c_CHN__TE_553221252520_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB2C2_oP40_61_c_2c_2c v001
EquilibriumCrystalStructure_AB2C2D2_oP56_19_2a_4a_4a_4a_CHNO__TE_338276194972_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB2C2D2_oP56_19_2a_4a_4a_4a v001
EquilibriumCrystalStructure_AB2C3_hP12_194_b_f_af_AlCTi__TE_349547461264_001 Equilibrium crystal structure and energy for AlCTi in AFLOW crystal prototype AB2C3_hP12_194_b_f_af v001
EquilibriumCrystalStructure_AB2C_hR24_161_b_2b_b_CHO__TE_881757295807_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB2C_hR24_161_b_2b_b v001
EquilibriumCrystalStructure_AB2C_oP4_25_a_bd_c_BCN__TE_131202134408_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype AB2C_oP4_25_a_bd_c v001
EquilibriumCrystalStructure_AB2C_oP80_60_c2d_5d_c2d_CHO__TE_779437097902_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB2C_oP80_60_c2d_5d_c2d v001
EquilibriumCrystalStructure_AB2C_oP8_17_a_bd_c_BCN__TE_104637621638_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype AB2C_oP8_17_a_bd_c v001
EquilibriumCrystalStructure_AB3_hP8_182_c_g_CFe__TE_186156226219_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB3_hP8_182_c_g v002
EquilibriumCrystalStructure_AB3_oP16_62_c_cd_CFe__TE_078199387205_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB3_oP16_62_c_cd v002
EquilibriumCrystalStructure_AB3_oP16_62_c_cd_CMn__TE_964181297613_002 Equilibrium crystal structure and energy for CMn in AFLOW crystal prototype AB3_oP16_62_c_cd v002
EquilibriumCrystalStructure_AB3_tI32_82_g_3g_CFe__TE_936458080996_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB3_tI32_82_g_3g v002
EquilibriumCrystalStructure_AB3C3_mP28_14_e_3e_3e_CHO__TE_821199289770_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB3C3_mP28_14_e_3e_3e v001
EquilibriumCrystalStructure_AB3C5D4_oP52_19_a_3a_5a_4a_CHNO__TE_352466489099_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB3C5D4_oP52_19_a_3a_5a_4a v001
EquilibriumCrystalStructure_AB4_cP5_215_a_e_CFe__TE_137930202757_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB4_cP5_215_a_e v002
EquilibriumCrystalStructure_AB4_mC20_15_e_2f_CF__TE_825389503707_002 Equilibrium crystal structure and energy for CF in AFLOW crystal prototype AB4_mC20_15_e_2f v002
EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB4_mP10_11_e_4e v002
EquilibriumCrystalStructure_AB4_tI10_87_a_h_CFe__TE_117939715366_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB4_tI10_87_a_h v002
EquilibriumCrystalStructure_AB4C2D_oC192_20_ab2c_12c_6c_ab2c_CHNO__TE_968090106964_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_oC192_20_ab2c_12c_6c_ab2c v001
EquilibriumCrystalStructure_AB4C2D_tP16_113_c_2e_e_c_CHNO__TE_344852579451_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_tP16_113_c_2e_e_c v001
EquilibriumCrystalStructure_AB4C2D_tP16_129_c_i_ac_c_CHNO__TE_083725332170_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_tP16_129_c_i_ac_c v001
EquilibriumCrystalStructure_AB4C4D2_aP44_2_2i_8i_8i_4i_CHNO__TE_869588863154_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C4D2_aP44_2_2i_8i_8i_4i v001
EquilibriumCrystalStructure_AB4C4D2_oF176_43_b_4b_4b_2b_CHNO__TE_181110374300_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C4D2_oF176_43_b_4b_4b_2b v001
EquilibriumCrystalStructure_AB5_aP12_2_i_5i_BC__TE_735418903006_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB5_aP12_2_i_5i v002
EquilibriumCrystalStructure_AB5_hP6_156_a_a2b2c_BC__TE_743185009032_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB5_hP6_156_a_a2b2c v002
EquilibriumCrystalStructure_AB5_oI12_44_a_b2c_BC__TE_673151583381_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB5_oI12_44_a_b2c v002
EquilibriumCrystalStructure_AB5_tI24_141_a_b2e_BC__TE_212055480349_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB5_tI24_141_a_b2e v002
EquilibriumCrystalStructure_AB5C3_oP36_19_a_5a_3a_CHN__TE_163746595328_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB5C3_oP36_19_a_5a_3a v001
EquilibriumCrystalStructure_AB5C3D4_mP52_14_e_5e_3e_4e_CHNO__TE_294401506423_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5C3D4_mP52_14_e_5e_3e_4e v001
EquilibriumCrystalStructure_AB5CD2_aP18_1_2a_10a_2a_4a_CHNO__TE_363379580538_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD2_aP18_1_2a_10a_2a_4a v001
EquilibriumCrystalStructure_AB5CD2_mP18_7_a_5a_a_2a_CHNO__TE_307285905143_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD2_mP18_7_a_5a_a_2a v001
EquilibriumCrystalStructure_AB5CD3_oP80_56_e_5e_e_3e_CHNO__TE_197216100796_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD3_oP80_56_e_5e_e_3e v001
EquilibriumCrystalStructure_AB6_cF112_227_c_def_CMn__TE_045908769172_002 Equilibrium crystal structure and energy for CMn in AFLOW crystal prototype AB6_cF112_227_c_def v002
EquilibriumCrystalStructure_AB6C2D2_oI88_72_j_2j2k_fj_2j_CHNO__TE_752390158425_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C2D2_oI88_72_j_2j2k_fj_2j v001
EquilibriumCrystalStructure_AB6C4D_mP48_14_e_6e_4e_e_CHNO__TE_499799561878_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C4D_mP48_14_e_6e_4e_e v001
EquilibriumCrystalStructure_AB6C6D4_aP68_2_2i_12i_12i_8i_CHNO__TE_669087067518_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C6D4_aP68_2_2i_12i_12i_8i v001
EquilibriumCrystalStructure_AB6C_oP32_62_c_6c_c_CNO__TE_159914758378_001 Equilibrium crystal structure and energy for CNO in AFLOW crystal prototype AB6C_oP32_62_c_6c_c v001
EquilibriumCrystalStructure_AB7_cP8_215_a_ce_BC__TE_157083331342_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB7_cP8_215_a_ce v002
EquilibriumCrystalStructure_AB7_hP8_156_b_4ab2c_BC__TE_454098158749_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB7_hP8_156_b_4ab2c v002
EquilibriumCrystalStructure_AB7_hR8_160_a_7a_BC__TE_439416620281_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB7_hR8_160_a_7a v002
EquilibriumCrystalStructure_AB7_oP8_25_a_bcdef_BC__TE_918331257780_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB7_oP8_25_a_bcdef v002
EquilibriumCrystalStructure_AB7_tP8_115_b_ce2g_BC__TE_916594299875_002 Equilibrium crystal structure and energy for BC in AFLOW crystal prototype AB7_tP8_115_b_ce2g v002
EquilibriumCrystalStructure_AB7C3D3_mP56_14_e_7e_3e_3e_CHNO__TE_256450103888_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB7C3D3_mP56_14_e_7e_3e_3e v001
EquilibriumCrystalStructure_AB8C6_mP60_14_e_8e_6e_CHN__TE_503718685256_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB8C6_mP60_14_e_8e_6e v001
EquilibriumCrystalStructure_AB9C7D3_oP80_57_d_3d3e_7d_de_CHNO__TE_995218505073_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB9C7D3_oP80_57_d_3d3e_7d_de v001
EquilibriumCrystalStructure_AB9C9_aP38_2_i_9i_9i_CHN__TE_757463323414_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB9C9_aP38_2_i_9i_9i v001
EquilibriumCrystalStructure_AB_cF8_216_a_c_CNb__TE_060826681965_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_CPd__TE_768114311139_002 Equilibrium crystal structure and energy for CPd in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_CPt__TE_477575542022_002 Equilibrium crystal structure and energy for CPt in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_CSi__TE_696041246863_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CNb__TE_045400230029_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CPd__TE_033078247984_002 Equilibrium crystal structure and energy for CPd in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CPt__TE_419814489113_002 Equilibrium crystal structure and energy for CPt in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CSi__TE_986620968537_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CTi__TE_477505812596_002 Equilibrium crystal structure and energy for CTi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CV__TE_998502857348_002 Equilibrium crystal structure and energy for CV in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cI16_199_a_a_CH__TE_908627723290_002 Equilibrium crystal structure and energy for CH in AFLOW crystal prototype AB_cI16_199_a_a v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CNb__TE_345350464363_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CPt__TE_393217777329_002 Equilibrium crystal structure and energy for CPt in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP8_198_a_a_CO__TE_963866639419_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB_cP8_198_a_a v002
EquilibriumCrystalStructure_AB_hP10_156_2a2bc_2a2bc_CSi__TE_758846131690_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP10_156_2a2bc_2a2bc v002
EquilibriumCrystalStructure_AB_hP12_186_a2b_a2b_CSi__TE_659751161955_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP12_186_a2b_a2b v002
EquilibriumCrystalStructure_AB_hP16_186_a3b_a3b_CSi__TE_797791154862_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP16_186_a3b_a3b v002
EquilibriumCrystalStructure_AB_hP20_156_4a3b3c_4a3b3c_CSi__TE_435308242252_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP20_156_4a3b3c_4a3b3c v002
EquilibriumCrystalStructure_AB_hP28_156_5a5b4c_5a5b4c_CSi__TE_662765611323_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP28_156_5a5b4c_5a5b4c v002
EquilibriumCrystalStructure_AB_hP2_187_a_d_CPt__TE_260045082262_002 Equilibrium crystal structure and energy for CPt in AFLOW crystal prototype AB_hP2_187_a_d v002
EquilibriumCrystalStructure_AB_hP32_186_3a5b_3a5b_CSi__TE_535568768914_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP32_186_3a5b_3a5b v002
EquilibriumCrystalStructure_AB_hP36_156_8a5b5c_8a5b5c_CSi__TE_411315457839_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP36_156_8a5b5c_8a5b5c v002
EquilibriumCrystalStructure_AB_hP38_156_7a6b6c_7a6b6c_CSi__TE_225411078047_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP38_156_7a6b6c_7a6b6c v002
EquilibriumCrystalStructure_AB_hP42_156_7a7b7c_7a7b7c_CSi__TE_061275975109_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP42_156_7a7b7c_7a7b7c v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_CSi__TE_502332453730_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_a_CNb__TE_499785565098_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB_hP4_194_c_a v002
EquilibriumCrystalStructure_AB_hP4_194_c_d_CNb__TE_325883662955_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB_hP4_194_c_d v002
EquilibriumCrystalStructure_AB_hP54_156_9a9b9c_9a9b9c_CSi__TE_484176936941_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP54_156_9a9b9c_9a9b9c v002
EquilibriumCrystalStructure_AB_hP8_186_ab_ab_CSi__TE_552432019967_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hP8_186_ab_ab v002
EquilibriumCrystalStructure_AB_hR10_160_5a_5a_CSi__TE_476884416506_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hR10_160_5a_5a v002
EquilibriumCrystalStructure_AB_hR14_160_7a_7a_CSi__TE_780519057830_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hR14_160_7a_7a v002
EquilibriumCrystalStructure_AB_hR16_160_8a_8a_CSi__TE_441476458374_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hR16_160_8a_8a v002
EquilibriumCrystalStructure_AB_hR16_161_ab_ab_CO__TE_667722291180_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB_hR16_161_ab_ab v002
EquilibriumCrystalStructure_AB_hR18_160_9a_9a_CSi__TE_706691295629_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hR18_160_9a_9a v002
EquilibriumCrystalStructure_AB_hR22_160_11a_11a_CSi__TE_982839355915_002 Equilibrium crystal structure and energy for CSi in AFLOW crystal prototype AB_hR22_160_11a_11a v002
EquilibriumCrystalStructure_AB_oP16_61_c_c_CN__TE_241457466977_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB_oP16_61_c_c v002
EquilibriumCrystalStructure_ABC2_hP8_194_a_c_f_CSiTi__TE_778149661524_001 Equilibrium crystal structure and energy for CSiTi in AFLOW crystal prototype ABC2_hP8_194_a_c_f v001
EquilibriumCrystalStructure_ABC2_hP8_194_c_a_f_AlCTi__TE_273642234528_001 Equilibrium crystal structure and energy for AlCTi in AFLOW crystal prototype ABC2_hP8_194_c_a_f v001
EquilibriumCrystalStructure_ABC3_cP5_221_a_b_c_AlCTi__TE_273780107371_001 Equilibrium crystal structure and energy for AlCTi in AFLOW crystal prototype ABC3_cP5_221_a_b_c v001
EquilibriumCrystalStructure_ABC_cP12_198_a_a_a_CHN__TE_857785799141_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_cP12_198_a_a_a v001
EquilibriumCrystalStructure_ABC_mP48_14_4e_4e_4e_CHN__TE_079881122319_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_mP48_14_4e_4e_4e v001
EquilibriumCrystalStructure_ABC_oI6_44_a_a_a_CHN__TE_736546690836_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_oI6_44_a_a_a v001
EquilibriumCrystalStructure_ABC_tI6_107_a_a_a_CHN__TE_507308921750_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_tI6_107_a_a_a v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Graphite__TE_406365327721_000 Unconstrained equilibrium crystal structure and energy of Graphite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
LatticeConstant2DHexagonalEnergy_graphene_C__TE_638394465817_002 Cohesive energy and equilibrium lattice constant of graphene v002
LatticeConstantCubicEnergy_bcc_C__TE_035231992677_007 Equilibrium zero-temperature lattice constant for bcc C v007
LatticeConstantCubicEnergy_diamond_C__TE_072855742236_007 Equilibrium zero-temperature lattice constant for diamond C v007
LatticeConstantCubicEnergy_fcc_C__TE_200775201868_007 Equilibrium zero-temperature lattice constant for fcc C v007
LatticeConstantCubicEnergy_sc_C__TE_515273288513_007 Equilibrium zero-temperature lattice constant for sc C v007
LatticeConstantHexagonalEnergy_hcp_C__TE_698171651321_005 Equilibrium lattice constants for hcp C v005
LinearThermalExpansionCoeff_diamond_C__TE_640411322333_002 Linear thermal expansion coefficient of diamond C at 293.15 K under a pressure of 0 MPa v002
Ca
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Ca__TE_377565108639_004 Cohesive energy versus lattice constant curve for bcc Ca v004
CohesiveEnergyVsLatticeConstant_diamond_Ca__TE_978401783211_004 Cohesive energy versus lattice constant curve for diamond Ca v004
CohesiveEnergyVsLatticeConstant_fcc_Ca__TE_482937725655_004 Cohesive energy versus lattice constant curve for fcc Ca v004
CohesiveEnergyVsLatticeConstant_sc_Ca__TE_555111893738_004 Cohesive energy versus lattice constant curve for sc Ca v004
ElasticConstantsCubic_bcc_Ca__TE_094381497019_006 Elastic constants for bcc Ca at zero temperature v006
ElasticConstantsCubic_diamond_Ca__TE_832317564284_001 Elastic constants for diamond Ca at zero temperature v001
ElasticConstantsCubic_fcc_Ca__TE_116005237822_006 Elastic constants for fcc Ca at zero temperature v006
ElasticConstantsCubic_sc_Ca__TE_359718686305_006 Elastic constants for sc Ca at zero temperature v006
ElasticConstantsHexagonal_hcp_Ca__TE_266758454331_004 Elastic constants for hcp Ca at zero temperature v004
EquilibriumCrystalStructure_A12BC19_hP64_194_ab2fk_c_efh2k_AlCaO__TE_755412553249_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A12BC19_hP64_194_ab2fk_c_efh2k v001
EquilibriumCrystalStructure_A12BC27D4_hP44_147_2g_a_bd4g_2d_AlCaOSi__TE_048198231994_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A12BC27D4_hP44_147_2g_a_bd4g_2d v001
EquilibriumCrystalStructure_A14B13_mC54_12_gh3ij_a2i2j_AlCa__TE_756836319246_001 Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A14B13_mC54_12_gh3ij_a2i2j v001
EquilibriumCrystalStructure_A14B19_hR66_167_b2cef_2ce2f_CaSi__TE_936434830420_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A14B19_hR66_167_b2cef_2ce2f v002
EquilibriumCrystalStructure_A2B2C7D_tP24_113_e_e_cef_a_AlCaOSi__TE_286616190865_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2B2C7D_tP24_113_e_e_cef_a v001
EquilibriumCrystalStructure_A2B3C12D3_cI160_230_a_c_h_d_AlCaOSi__TE_726841659909_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2B3C12D3_cI160_230_a_c_h_d v001
EquilibriumCrystalStructure_A2B3C2_oI14_71_e_af_f_AlCaSi__TE_002110047574_001 Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype A2B3C2_oI14_71_e_af_f v001
EquilibriumCrystalStructure_A2B3C6_cP33_221_cd_ag_fh_AlCaO__TE_679085264884_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2B3C6_cP33_221_cd_ag_fh v001
EquilibriumCrystalStructure_A2B4C_hP14_164_abd_di_d_CaOSi__TE_993693478993_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_hP14_164_abd_di_d v001
EquilibriumCrystalStructure_A2B4C_hP14_186_ab_bc_b_CaOSi__TE_495301556776_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_hP14_186_ab_bc_b v001
EquilibriumCrystalStructure_A2B4C_mP28_14_2e_4e_e_CaOSi__TE_346749409904_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_mP28_14_2e_4e_e v001
EquilibriumCrystalStructure_A2B4C_mP56_14_4e_8e_2e_CaOSi__TE_768102092693_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_mP56_14_4e_8e_2e v001
EquilibriumCrystalStructure_A2B4C_oP84_33_6a_12a_3a_CaOSi__TE_069916940355_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_oP84_33_6a_12a_3a v001
EquilibriumCrystalStructure_A2B4C_tI14_139_e_ce_a_CaOSi__TE_350369237247_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_tI14_139_e_ce_a v001
EquilibriumCrystalStructure_A2B_cF12_225_c_a_CaSi__TE_212067183615_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_AlCa__TE_764053418056_001 Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A2B_cF24_227_c_b v001
EquilibriumCrystalStructure_A2B_oP12_62_2c_c_CaSi__TE_173314756583_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A2B_oP12_62_2c_c v002
EquilibriumCrystalStructure_A2BC2_hP5_164_d_a_d_AlCaSi__TE_981171008277_001 Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype A2BC2_hP5_164_d_a_d v001
EquilibriumCrystalStructure_A2BC4_hP42_173_2c_a2b_4c_AlCaO__TE_975747407446_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_hP42_173_2c_a2b_4c v001
EquilibriumCrystalStructure_A2BC4_mP14_11_2e_e_4e_AlCaO__TE_217064445928_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_mP14_11_2e_e_4e v001
EquilibriumCrystalStructure_A2BC4_mP56_14_4e_2e_8e_AlCaO__TE_407849230210_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_mP56_14_4e_2e_8e v001
EquilibriumCrystalStructure_A2BC8D2_aP104_2_8i_4i_32i_8i_AlCaOSi__TE_768530464635_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2BC8D2_aP104_2_8i_4i_32i_8i v001
EquilibriumCrystalStructure_A3B2_tP20_136_dfg_j_CaCd__TE_464630766711_002 Equilibrium crystal structure and energy for CaCd in AFLOW crystal prototype A3B2_tP20_136_dfg_j v002
EquilibriumCrystalStructure_A3B5C_hR27_160_3b_6a3b_3a_CaOSi__TE_045090439189_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A3B5C_hR27_160_3b_6a3b_3a v001
EquilibriumCrystalStructure_A3B5C_mC54_8_3a3b_9a3b_3a_CaOSi__TE_115448101381_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A3B5C_mC54_8_3a3b_9a3b_3a v001
EquilibriumCrystalStructure_A3B7C2_oI96_46_ab2c_2b6c_abc_CaOSi__TE_752265063065_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A3B7C2_oI96_46_ab2c_2b6c_abc v001
EquilibriumCrystalStructure_A3B8_aP22_2_be2i_8i_AlCa__TE_044555675481_001 Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A3B8_aP22_2_be2i_8i v001
EquilibriumCrystalStructure_A3B_oC16_63_cf_c_CaZn__TE_028799958719_002 Equilibrium crystal structure and energy for CaZn in AFLOW crystal prototype A3B_oC16_63_cf_c v002
EquilibriumCrystalStructure_A4B13C29_hP92_194_ah_c2k_fhi2jk_CaMgZn__TE_681623192194_001 Equilibrium crystal structure and energy for CaMgZn in AFLOW crystal prototype A4B13C29_hP92_194_ah_c2k_fhi2jk v001
EquilibriumCrystalStructure_A4B2C11D3_oC160_40_2a2b2c_2bc_2b10c_3c_CaHOSi__TE_289163277807_001 Equilibrium crystal structure and energy for CaHOSi in AFLOW crystal prototype A4B2C11D3_oC160_40_2a2b2c_2bc_2b10c_3c v001
EquilibriumCrystalStructure_A4B_tI10_139_de_a_AlCa__TE_625761078954_001 Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A4B_tI10_139_de_a v001
EquilibriumCrystalStructure_A4BC7_mC48_15_2f_e_e3f_AlCaO__TE_544520449033_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A4BC7_mC48_15_2f_e_e3f v001
EquilibriumCrystalStructure_A5B3_tI32_140_cl_ah_CaSi__TE_861667208797_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A5B3_tI32_140_cl_ah v002
EquilibriumCrystalStructure_A5B3_tI32_140_cl_ah_CaZn__TE_279370528173_002 Equilibrium crystal structure and energy for CaZn in AFLOW crystal prototype A5B3_tI32_140_cl_ah v002
EquilibriumCrystalStructure_A6B2C13D3_aP48_2_6i_2i_13i_3i_CaHOSi__TE_807740564377_001 Equilibrium crystal structure and energy for CaHOSi in AFLOW crystal prototype A6B2C13D3_aP48_2_6i_2i_13i_3i v001
EquilibriumCrystalStructure_A6B4C13_cI46_217_d_c_ag_AlCaO__TE_064674868768_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A6B4C13_cI46_217_d_c_ag v001
EquilibriumCrystalStructure_A6B5C14_oC100_36_2a2b_a2b_4a5b_AlCaO__TE_781202697604_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A6B5C14_oC100_36_2a2b_a2b_4a5b v001
EquilibriumCrystalStructure_A6B6C13D2_hP54_143_4d_4d_ab8d_2a2b_CaHOSi__TE_132655582111_001 Equilibrium crystal structure and energy for CaHOSi in AFLOW crystal prototype A6B6C13D2_hP54_143_4d_4d_ab8d_2a2b v001
EquilibriumCrystalStructure_A7B6C16_cI116_220_ac_d_ce_AlCaO__TE_265750543456_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A7B6C16_cI116_220_ac_d_ce v001
EquilibriumCrystalStructure_A_cF4_225_a_Ca__TE_310013814447_002 Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Ca__TE_256668024209_002 Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_cP1_221_a_Ca__TE_915019831659_002 Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_cP1_221_a v002
EquilibriumCrystalStructure_A_hP1_191_a_Ca__TE_164180817732_002 Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_hP1_191_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Ca__TE_593963838931_002 Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_oC2_65_a_Ca__TE_908270870542_002 Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_oC2_65_a v002
EquilibriumCrystalStructure_A_oF4_69_a_Ca__TE_407031559556_002 Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_oF4_69_a v002
EquilibriumCrystalStructure_A_tI2_139_a_Ca__TE_368510241459_002 Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_tI2_139_a v002
EquilibriumCrystalStructure_A_tI8_140_h_Ca__TE_259374356461_002 Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_tI8_140_h v002
EquilibriumCrystalStructure_AB11_tI48_141_b_aci_CaZn__TE_963066480336_002 Equilibrium crystal structure and energy for CaZn in AFLOW crystal prototype AB11_tI48_141_b_aci v002
EquilibriumCrystalStructure_AB13_cF112_226_a_bi_CaZn__TE_857393363099_002 Equilibrium crystal structure and energy for CaZn in AFLOW crystal prototype AB13_cF112_226_a_bi v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_CaCd__TE_570996616185_002 Equilibrium crystal structure and energy for CaCd in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_CaMg__TE_799863217483_002 Equilibrium crystal structure and energy for CaMg in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_CaZn__TE_126708215322_002 Equilibrium crystal structure and energy for CaZn in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_hP3_164_a_d_CaSi__TE_149668238385_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hP3_164_a_d v002
EquilibriumCrystalStructure_AB2_hP3_191_a_d_CaSi__TE_595515185804_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hP3_191_a_d v002
EquilibriumCrystalStructure_AB2_hP6_194_c_ad_CaH__TE_378692788727_002 Equilibrium crystal structure and energy for CaH in AFLOW crystal prototype AB2_hP6_194_c_ad v002
EquilibriumCrystalStructure_AB2_hR3_166_a_c_CaSi__TE_097983225638_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hR3_166_a_c v002
EquilibriumCrystalStructure_AB2_hR6_166_c_2c_CaSi__TE_619555743985_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hR6_166_c_2c v002
EquilibriumCrystalStructure_AB2_oI12_74_e_h_CaCd__TE_151049489971_002 Equilibrium crystal structure and energy for CaCd in AFLOW crystal prototype AB2_oI12_74_e_h v002
EquilibriumCrystalStructure_AB2_oI12_74_e_h_CaZn__TE_675787140039_002 Equilibrium crystal structure and energy for CaZn in AFLOW crystal prototype AB2_oI12_74_e_h v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CaH__TE_229736593939_002 Equilibrium crystal structure and energy for CaH in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_tI12_141_a_e_CaSi__TE_035223769209_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_tI12_141_a_e v002
EquilibriumCrystalStructure_AB2_tI24_141_c_h_CaSi__TE_969807849706_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_tI24_141_c_h v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_CaO__TE_792442842657_002 Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB2C2_hP5_164_a_d_d_CaHO__TE_608425428744_001 Equilibrium crystal structure and energy for CaHO in AFLOW crystal prototype AB2C2_hP5_164_a_d_d v001
EquilibriumCrystalStructure_AB3_tI32_139_de_im_CaSi__TE_979517536962_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB3_tI32_139_de_im v002
EquilibriumCrystalStructure_AB3C_aP30_2_3i_9i_3i_CaOSi__TE_985935358778_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_aP30_2_3i_9i_3i v001
EquilibriumCrystalStructure_AB3C_cI40_204_ab_g_c_CaOSi__TE_079790177442_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_cI40_204_ab_g_c v001
EquilibriumCrystalStructure_AB3C_cP5_221_a_c_b_CaOSi__TE_421518218665_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_cP5_221_a_c_b v001
EquilibriumCrystalStructure_AB3C_mC120_15_c3ef_9f_3f_CaOSi__TE_779454297147_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_mC120_15_c3ef_9f_3f v001
EquilibriumCrystalStructure_AB3C_mC60_15_cf_e4f_ef_CaOSi__TE_405678794609_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_mC60_15_cf_e4f_ef v001
EquilibriumCrystalStructure_AB3C_oI20_74_e_eg_a_CaOSi__TE_302219874836_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_oI20_74_e_eg_a v001
EquilibriumCrystalStructure_AB3C_oP20_62_c_cd_a_CaOSi__TE_117272785147_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_oP20_62_c_cd_a v001
EquilibriumCrystalStructure_AB3C_tI20_140_b_ah_c_CaOSi__TE_409443198579_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_tI20_140_b_ah_c v001
EquilibriumCrystalStructure_AB3C_tI40_139_abc_hn_f_CaOSi__TE_259437074252_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_tI40_139_abc_hn_f v001
EquilibriumCrystalStructure_AB3C_tP10_127_c_bg_a_CaOSi__TE_402683241704_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_tP10_127_c_bg_a v001
EquilibriumCrystalStructure_AB5_hP6_191_a_cg_CaZn__TE_799201948495_002 Equilibrium crystal structure and energy for CaZn in AFLOW crystal prototype AB5_hP6_191_a_cg v002
EquilibriumCrystalStructure_AB5C2_aP32_2_2i_10i_be3i_CaOSi__TE_949037197041_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB5C2_aP32_2_2i_10i_be3i v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_CaO__TE_932922467790_002 Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CaCd__TE_975600015687_002 Equilibrium crystal structure and energy for CaCd in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_d_CaO__TE_229658268378_002 Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB_hP4_194_c_d v002
EquilibriumCrystalStructure_AB_oC8_63_c_c_CaSi__TE_717601218721_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB_oC8_63_c_c v002
EquilibriumCrystalStructure_AB_oC8_63_c_c_CaZn__TE_332177367930_002 Equilibrium crystal structure and energy for CaZn in AFLOW crystal prototype AB_oC8_63_c_c v002
EquilibriumCrystalStructure_AB_oP4_47_i_i_CaSi__TE_447028221135_002 Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB_oP4_47_i_i v002
EquilibriumCrystalStructure_ABC_hP15_187_agh_f2i_cgh_AlCaSi__TE_119124251542_001 Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype ABC_hP15_187_agh_f2i_cgh v001
EquilibriumCrystalStructure_ABC_hP18_186_3b_3a_3b_AlCaSi__TE_194226964995_001 Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype ABC_hP18_186_3b_3a_3b v001
EquilibriumCrystalStructure_ABC_hP3_187_a_d_e_AlCaSi__TE_551469833065_001 Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype ABC_hP3_187_a_d_e v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Anhydrite__TE_889550055760_000 Unconstrained equilibrium crystal structure and energy of Anhydrite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Calcium__TE_155275770946_000 Unconstrained equilibrium crystal structure and energy of Calcium expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Calcium_Hydroxide__TE_290999115954_000 Unconstrained equilibrium crystal structure and energy of Calcium Hydroxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Calcium_Oxide__TE_816860586933_000 Unconstrained equilibrium crystal structure and energy of Calcium Oxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Gypsum__TE_786449451894_000 Unconstrained equilibrium crystal structure and energy of Gypsum expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Hemihydrate__TE_408150552107_000 Unconstrained equilibrium crystal structure and energy of Hemihydrate expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Tobermorite__TE_046183663521_000 Unconstrained equilibrium crystal structure and energy of Tobermorite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Tricalcium_Aluminate__TE_889636295875_000 Unconstrained equilibrium crystal structure and energy of Tricalcium Aluminate expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Tricalcium_Silicate__TE_356659368071_000 Unconstrained equilibrium crystal structure and energy of Tricalcium Silicate expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_cF12_225_a_c_CaF__TE_185882332954_000 Unconstrained equilibrium crystal structure and energy of AB2_cF12_225_a_c:Ca:F expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_hR3_166_a_c_CaF__TE_602903071008_000 Unconstrained equilibrium crystal structure and energy of AB2_hR3_166_a_c:Ca:F expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_oP12_62_c_2c_CaF__TE_372718531987_000 Unconstrained equilibrium crystal structure and energy of AB2_oP12_62_c_2c:Ca:F expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_oP6_26_a_ab_CaF__TE_090943626130_000 Unconstrained equilibrium crystal structure and energy of AB2_oP6_26_a_ab:Ca:F expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_tP3_123_a_e_CaF__TE_626869503943_000 Unconstrained equilibrium crystal structure and energy of AB2_tP3_123_a_e:Ca:F expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Tobermorite__TE_068767742876_000 Unconstrained equilibrium crystal structure and energy of Tobermorite expressed in PCFF-INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Tricalcium_Aluminate__TE_386531012571_000 Unconstrained equilibrium crystal structure and energy of Tricalcium Aluminate expressed in PCFF-INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Tricalcium_Silicate__TE_036658485235_000 Unconstrained equilibrium crystal structure and energy of Tricalcium Silicate expressed in PCFF-INTERFACE atom types and bonding v000
LatticeConstantCubicEnergy_bcc_Ca__TE_156745948509_007 Equilibrium zero-temperature lattice constant for bcc Ca v007
LatticeConstantCubicEnergy_diamond_Ca__TE_361236224863_007 Equilibrium zero-temperature lattice constant for diamond Ca v007
LatticeConstantCubicEnergy_fcc_Ca__TE_138201882100_007 Equilibrium zero-temperature lattice constant for fcc Ca v007
LatticeConstantCubicEnergy_sc_Ca__TE_891988197052_007 Equilibrium zero-temperature lattice constant for sc Ca v007
LatticeConstantHexagonalEnergy_hcp_Ca__TE_030748014934_005 Equilibrium lattice constants for hcp Ca v005
LinearThermalExpansionCoeff_fcc_Ca__TE_389870929270_002 Linear thermal expansion coefficient of fcc Ca at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Ca__TE_941495178906_004 Phonon dispersion relations for fcc Ca v004
StackingFaultFccCrystal_0bar_Ca__TE_812847954572_002 Stacking and twinning fault energies for fcc Ca v002
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ca__TE_402264927720_004 Broken-bond fit of high-symmetry surface energies in fcc Ca v004
VacancyFormationEnergyRelaxationVolume_fcc_Ca__TE_883977226850_001 Monovacancy formation energy and relaxation volume for fcc Ca
VacancyFormationMigration_fcc_Ca__TE_306126767079_001 Vacancy formation and migration energy for fcc Ca
Cd
Test Title
binary_alloy_elastic_constant_B2_AuCd__TE_829939848261_000 Elastic constants of AuCd alloy in the B2 (CsCl) configuration
CohesiveEnergyVsLatticeConstant_bcc_Cd__TE_757382278447_004 Cohesive energy versus lattice constant curve for bcc Cd v004
CohesiveEnergyVsLatticeConstant_diamond_Cd__TE_545990130600_004 Cohesive energy versus lattice constant curve for diamond Cd v004
CohesiveEnergyVsLatticeConstant_fcc_Cd__TE_599791424648_004 Cohesive energy versus lattice constant curve for fcc Cd v004
CohesiveEnergyVsLatticeConstant_sc_Cd__TE_055218122902_004 Cohesive energy versus lattice constant curve for sc Cd v004
ElasticConstantsCubic_bcc_Cd__TE_245682693622_006 Elastic constants for bcc Cd at zero temperature v006
ElasticConstantsCubic_diamond_Cd__TE_722217320416_001 Elastic constants for diamond Cd at zero temperature v001
ElasticConstantsCubic_fcc_Cd__TE_833871902473_006 Elastic constants for fcc Cd at zero temperature v006
ElasticConstantsCubic_sc_Cd__TE_828237696373_006 Elastic constants for sc Cd at zero temperature v006
ElasticConstantsHexagonal_hcp_Cd__TE_905828054853_004 Elastic constants for hcp Cd at zero temperature v004
EquilibriumCrystalStructure_A2B_tI6_139_e_a_CdHg__TE_342214674512_002 Equilibrium crystal structure and energy for CdHg in AFLOW crystal prototype A2B_tI6_139_e_a v002
EquilibriumCrystalStructure_A3B2_tP20_136_dfg_j_CaCd__TE_464630766711_002 Equilibrium crystal structure and energy for CaCd in AFLOW crystal prototype A3B2_tP20_136_dfg_j v002
EquilibriumCrystalStructure_A3B5_tI32_140_ah_bk_AuCd__TE_303065370966_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype A3B5_tI32_140_ah_bk v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_AuCd__TE_610261959342_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A5B8_cI52_217_ce_cg_AuCd__TE_545736501010_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype A5B8_cI52_217_ce_cg v002
EquilibriumCrystalStructure_A_hP2_194_c_Cd__TE_826236471886_002 Equilibrium crystal structure and energy for Cd in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_AB2_cP12_205_a_c_CdS__TE_572549990533_002 Equilibrium crystal structure and energy for CdS in AFLOW crystal prototype AB2_cP12_205_a_c v002
EquilibriumCrystalStructure_AB2_cP12_205_a_c_CdSe__TE_781369169074_002 Equilibrium crystal structure and energy for CdSe in AFLOW crystal prototype AB2_cP12_205_a_c v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_CaCd__TE_570996616185_002 Equilibrium crystal structure and energy for CaCd in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_oI12_74_e_h_CaCd__TE_151049489971_002 Equilibrium crystal structure and energy for CaCd in AFLOW crystal prototype AB2_oI12_74_e_h v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_CdHg__TE_601482419485_002 Equilibrium crystal structure and energy for CdHg in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB2C_tI16_122_b_d_a_CdTeZn__TE_409869589688_001 Equilibrium crystal structure and energy for CdTeZn in AFLOW crystal prototype AB2C_tI16_122_b_d_a v001
EquilibriumCrystalStructure_AB3_hP24_185_c_ab2c_AuCd__TE_351487374612_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype AB3_hP24_185_c_ab2c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_CdS__TE_867486923797_002 Equilibrium crystal structure and energy for CdS in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_CdSe__TE_936718929497_002 Equilibrium crystal structure and energy for CdSe in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_CdTe__TE_413896923767_002 Equilibrium crystal structure and energy for CdTe in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CdS__TE_223059134997_002 Equilibrium crystal structure and energy for CdS in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CdSe__TE_397553309220_002 Equilibrium crystal structure and energy for CdSe in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CdTe__TE_496397724942_002 Equilibrium crystal structure and energy for CdTe in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AuCd__TE_496976864621_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CaCd__TE_975600015687_002 Equilibrium crystal structure and energy for CaCd in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_hP18_157_ab2c_ab2c_AuCd__TE_855080031757_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype AB_hP18_157_ab2c_ab2c v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_CdS__TE_831963698689_002 Equilibrium crystal structure and energy for CdS in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_CdSe__TE_591462325900_002 Equilibrium crystal structure and energy for CdSe in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_CdTe__TE_760342674873_002 Equilibrium crystal structure and energy for CdTe in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP6_152_a_b_CdTe__TE_639121790613_002 Equilibrium crystal structure and energy for CdTe in AFLOW crystal prototype AB_hP6_152_a_b v002
EquilibriumCrystalStructure_AB_oC8_63_c_c_CdTe__TE_793998012226_002 Equilibrium crystal structure and energy for CdTe in AFLOW crystal prototype AB_oC8_63_c_c v002
EquilibriumCrystalStructure_AB_oP2_25_a_b_CdTe__TE_070852717828_002 Equilibrium crystal structure and energy for CdTe in AFLOW crystal prototype AB_oP2_25_a_b v002
EquilibriumCrystalStructure_AB_oP4_51_e_f_AuCd__TE_031844288815_002 Equilibrium crystal structure and energy for AuCd in AFLOW crystal prototype AB_oP4_51_e_f v002
EquilibriumCrystalStructure_AB_oP4_59_a_b_CdS__TE_492313633300_002 Equilibrium crystal structure and energy for CdS in AFLOW crystal prototype AB_oP4_59_a_b v002
LatticeConstantCubicEnergy_bcc_Cd__TE_984897592545_007 Equilibrium zero-temperature lattice constant for bcc Cd v007
LatticeConstantCubicEnergy_diamond_Cd__TE_434909302061_007 Equilibrium zero-temperature lattice constant for diamond Cd v007
LatticeConstantCubicEnergy_fcc_Cd__TE_935448828097_007 Equilibrium zero-temperature lattice constant for fcc Cd v007
LatticeConstantCubicEnergy_sc_Cd__TE_670421747557_007 Equilibrium zero-temperature lattice constant for sc Cd v007
LatticeConstantHexagonalEnergy_hcp_Cd__TE_424501117674_005 Equilibrium lattice constants for hcp Cd v005
VacancyFormationEnergyRelaxationVolume_hcp_Cd__TE_375960085650_001 Monovacancy formation energy and relaxation volume for hcp Cd
VacancyFormationMigration_hcp_Cd__TE_434298741337_001 Vacancy formation and migration energy for hcp Cd
Ce
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Ce__TE_038655053224_004 Cohesive energy versus lattice constant curve for bcc Ce v004
CohesiveEnergyVsLatticeConstant_diamond_Ce__TE_532578248219_004 Cohesive energy versus lattice constant curve for diamond Ce v004
CohesiveEnergyVsLatticeConstant_fcc_Ce__TE_124928631430_004 Cohesive energy versus lattice constant curve for fcc Ce v004
CohesiveEnergyVsLatticeConstant_sc_Ce__TE_214338628976_004 Cohesive energy versus lattice constant curve for sc Ce v004
ElasticConstantsCubic_bcc_Ce__TE_719066393063_006 Elastic constants for bcc Ce at zero temperature v006
ElasticConstantsCubic_diamond_Ce__TE_389468854696_001 Elastic constants for diamond Ce at zero temperature v001
ElasticConstantsCubic_fcc_Ce__TE_814183177379_006 Elastic constants for fcc Ce at zero temperature v006
ElasticConstantsCubic_sc_Ce__TE_934185910837_006 Elastic constants for sc Ce at zero temperature v006
ElasticConstantsHexagonal_hcp_Ce__TE_781234123850_004 Elastic constants for hcp Ce at zero temperature v004
EquilibriumCrystalStructure_A2B3_cI80_206_ad_e_CeO__TE_149372429295_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype A2B3_cI80_206_ad_e v002
EquilibriumCrystalStructure_A2B3_mC10_12_i_ai_CeO__TE_178777543406_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype A2B3_mC10_12_i_ai v002
EquilibriumCrystalStructure_A2B3_mC10_5_c_ac_CeO__TE_419268883743_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype A2B3_mC10_5_c_ac v002
EquilibriumCrystalStructure_A2B3_mC30_12_3i_a4i_CeO__TE_303699984913_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype A2B3_mC30_12_3i_a4i v002
EquilibriumCrystalStructure_A2B5_tI28_109_2a_ac_CeH__TE_092466217624_001 Equilibrium crystal structure and energy for CeH in AFLOW crystal prototype A2B5_tI28_109_2a_ac v001
EquilibriumCrystalStructure_A2B7_oC18_65_h_ajp_CeSi__TE_415987916273_001 Equilibrium crystal structure and energy for CeSi in AFLOW crystal prototype A2B7_oC18_65_h_ajp v001
EquilibriumCrystalStructure_A2B7C2_mP44_14_2e_7e_2e_CeOSi__TE_733850881175_001 Equilibrium crystal structure and energy for CeOSi in AFLOW crystal prototype A2B7C2_mP44_14_2e_7e_2e v001
EquilibriumCrystalStructure_A3B2_tP10_127_ah_g_CeSi__TE_601387899353_001 Equilibrium crystal structure and energy for CeSi in AFLOW crystal prototype A3B2_tP10_127_ah_g v001
EquilibriumCrystalStructure_A5B3_tI32_140_cl_ah_CeSi__TE_236681928671_001 Equilibrium crystal structure and energy for CeSi in AFLOW crystal prototype A5B3_tI32_140_cl_ah v001
EquilibriumCrystalStructure_A5B4_tP36_92_a2b_2b_CeSi__TE_498048793648_001 Equilibrium crystal structure and energy for CeSi in AFLOW crystal prototype A5B4_tP36_92_a2b_2b v001
EquilibriumCrystalStructure_A7B12_hR19_148_af_2f_CeO__TE_235546828624_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype A7B12_hR19_148_af_2f v002
EquilibriumCrystalStructure_A_cF4_225_a_Ce__TE_281612468724_002 Equilibrium crystal structure and energy for Ce in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Ce__TE_950207666155_002 Equilibrium crystal structure and energy for Ce in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Ce__TE_217753104299_002 Equilibrium crystal structure and energy for Ce in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_hP4_194_ac_Ce__TE_862953420472_002 Equilibrium crystal structure and energy for Ce in AFLOW crystal prototype A_hP4_194_ac v002
EquilibriumCrystalStructure_A_oC4_63_c_Ce__TE_001152273371_002 Equilibrium crystal structure and energy for Ce in AFLOW crystal prototype A_oC4_63_c v002
EquilibriumCrystalStructure_AB2_cF12_225_a_c_CeH__TE_289157533677_001 Equilibrium crystal structure and energy for CeH in AFLOW crystal prototype AB2_cF12_225_a_c v001
EquilibriumCrystalStructure_AB2_cF12_225_a_c_CeO__TE_483787090719_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype AB2_cF12_225_a_c v002
EquilibriumCrystalStructure_AB2_hP6_164_d_abd_CeO__TE_585262459502_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype AB2_hP6_164_d_abd v002
EquilibriumCrystalStructure_AB2_tI12_141_a_e_CeSi__TE_761320474824_001 Equilibrium crystal structure and energy for CeSi in AFLOW crystal prototype AB2_tI12_141_a_e v001
EquilibriumCrystalStructure_AB2_tP6_136_a_f_CeO__TE_027363324551_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype AB2_tP6_136_a_f v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CeH__TE_002771109088_001 Equilibrium crystal structure and energy for CeH in AFLOW crystal prototype AB3_cF16_225_a_bc v001
EquilibriumCrystalStructure_AB3_hP8_176_c_h_CeCl__TE_691903227219_001 Equilibrium crystal structure and energy for CeCl in AFLOW crystal prototype AB3_hP8_176_c_h v001
EquilibriumCrystalStructure_AB3C14D7_aP50_2_i_3i_14i_7i_CeClHO__TE_756475321899_001 Equilibrium crystal structure and energy for CeClHO in AFLOW crystal prototype AB3C14D7_aP50_2_i_3i_14i_7i v001
EquilibriumCrystalStructure_AB4C_tI24_141_a_h_b_CeOSi__TE_749269600287_001 Equilibrium crystal structure and energy for CeOSi in AFLOW crystal prototype AB4C_tI24_141_a_h_b v001
EquilibriumCrystalStructure_AB5_oI12_71_a_bm_CeSi__TE_109353741948_001 Equilibrium crystal structure and energy for CeSi in AFLOW crystal prototype AB5_oI12_71_a_bm v001
EquilibriumCrystalStructure_AB8C18D6_hR33_166_a_cde_g2h_h_CeNaOSi__TE_885064614996_001 Equilibrium crystal structure and energy for CeNaOSi in AFLOW crystal prototype AB8C18D6_hR33_166_a_cde_g2h_h v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_CeO__TE_142604118591_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_oP8_62_c_c_CeSi__TE_427672447586_001 Equilibrium crystal structure and energy for CeSi in AFLOW crystal prototype AB_oP8_62_c_c v001
EquilibriumCrystalStructure_ABC_tP6_129_c_c_a_CeClO__TE_313915664745_001 Equilibrium crystal structure and energy for CeClO in AFLOW crystal prototype ABC_tP6_129_c_c_a v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Cerium__TE_192291552296_000 Unconstrained equilibrium crystal structure and energy of Cerium expressed in CHARMM-GUI INTERFACE atom types and bonding v000
LatticeConstantCubicEnergy_bcc_Ce__TE_655994695740_007 Equilibrium zero-temperature lattice constant for bcc Ce v007
LatticeConstantCubicEnergy_diamond_Ce__TE_763097337614_007 Equilibrium zero-temperature lattice constant for diamond Ce v007
LatticeConstantCubicEnergy_fcc_Ce__TE_799572233154_007 Equilibrium zero-temperature lattice constant for fcc Ce v007
LatticeConstantCubicEnergy_sc_Ce__TE_566556551315_007 Equilibrium zero-temperature lattice constant for sc Ce v007
LatticeConstantHexagonalEnergy_hcp_Ce__TE_628969589788_005 Equilibrium lattice constants for hcp Ce v005
LinearThermalExpansionCoeff_fcc_Ce__TE_716914137201_002 Linear thermal expansion coefficient of fcc Ce at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Ce__TE_303061346354_004 Phonon dispersion relations for fcc Ce v004
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ce__TE_541863171873_004 Broken-bond fit of high-symmetry surface energies in fcc Ce v004
Cf
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Cf__TE_508482920412_004 Cohesive energy versus lattice constant curve for bcc Cf v004
CohesiveEnergyVsLatticeConstant_diamond_Cf__TE_265125959983_004 Cohesive energy versus lattice constant curve for diamond Cf v004
CohesiveEnergyVsLatticeConstant_fcc_Cf__TE_578506925104_004 Cohesive energy versus lattice constant curve for fcc Cf v004
CohesiveEnergyVsLatticeConstant_sc_Cf__TE_077475072210_004 Cohesive energy versus lattice constant curve for sc Cf v004
ElasticConstantsCubic_bcc_Cf__TE_005027177939_006 Elastic constants for bcc Cf at zero temperature v006
ElasticConstantsCubic_diamond_Cf__TE_170028671457_001 Elastic constants for diamond Cf at zero temperature v001
ElasticConstantsCubic_fcc_Cf__TE_337193364372_006 Elastic constants for fcc Cf at zero temperature v006
ElasticConstantsCubic_sc_Cf__TE_660881440207_006 Elastic constants for sc Cf at zero temperature v006
ElasticConstantsHexagonal_hcp_Cf__TE_456307766128_004 Elastic constants for hcp Cf at zero temperature v004
LatticeConstantCubicEnergy_bcc_Cf__TE_182003474805_007 Equilibrium zero-temperature lattice constant for bcc Cf v007
LatticeConstantCubicEnergy_diamond_Cf__TE_669552041059_007 Equilibrium zero-temperature lattice constant for diamond Cf v007
LatticeConstantCubicEnergy_fcc_Cf__TE_803788073321_007 Equilibrium zero-temperature lattice constant for fcc Cf v007
LatticeConstantCubicEnergy_sc_Cf__TE_507183845716_007 Equilibrium zero-temperature lattice constant for sc Cf v007
LatticeConstantHexagonalEnergy_hcp_Cf__TE_418192550797_005 Equilibrium lattice constants for hcp Cf v005
Cl
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Cl__TE_875102584016_004 Cohesive energy versus lattice constant curve for bcc Cl v004
CohesiveEnergyVsLatticeConstant_diamond_Cl__TE_669854574765_004 Cohesive energy versus lattice constant curve for diamond Cl v004
CohesiveEnergyVsLatticeConstant_fcc_Cl__TE_000118480160_004 Cohesive energy versus lattice constant curve for fcc Cl v004
CohesiveEnergyVsLatticeConstant_sc_Cl__TE_929952737557_004 Cohesive energy versus lattice constant curve for sc Cl v004
ElasticConstantsCubic_bcc_Cl__TE_757495655517_006 Elastic constants for bcc Cl at zero temperature v006
ElasticConstantsCubic_diamond_Cl__TE_062189297002_001 Elastic constants for diamond Cl at zero temperature v001
ElasticConstantsCubic_fcc_Cl__TE_599417877194_006 Elastic constants for fcc Cl at zero temperature v006
ElasticConstantsCubic_sc_Cl__TE_619030766296_006 Elastic constants for sc Cl at zero temperature v006
ElasticConstantsHexagonal_hcp_Cl__TE_894429379290_004 Elastic constants for hcp Cl at zero temperature v004
EquilibriumCrystalStructure_A10B7C6_mP46_11_2e4f_e3f_2e2f_ClOSi__TE_622081084318_001 Equilibrium crystal structure and energy for ClOSi in AFLOW crystal prototype A10B7C6_mP46_11_2e4f_e3f_2e2f v001
EquilibriumCrystalStructure_A2B3C2_hR28_148_cf_2f_cf_ClOSi__TE_892962120856_001 Equilibrium crystal structure and energy for ClOSi in AFLOW crystal prototype A2B3C2_hR28_148_cf_2f_cf v001
EquilibriumCrystalStructure_A2B7_mC36_15_f_e3f_ClO__TE_762684659304_001 Equilibrium crystal structure and energy for ClO in AFLOW crystal prototype A2B7_mC36_15_f_e3f v001
EquilibriumCrystalStructure_A2B_oP12_19_2a_a_ClSi__TE_350133495734_001 Equilibrium crystal structure and energy for ClSi in AFLOW crystal prototype A2B_oP12_19_2a_a v001
EquilibriumCrystalStructure_A2B_tI24_141_h_e_ClO__TE_262884657419_001 Equilibrium crystal structure and energy for ClO in AFLOW crystal prototype A2B_tI24_141_h_e v001
EquilibriumCrystalStructure_A2BC_aP16_2_4i_2i_2i_ClOSi__TE_483989840929_001 Equilibrium crystal structure and energy for ClOSi in AFLOW crystal prototype A2BC_aP16_2_4i_2i_2i v001
EquilibriumCrystalStructure_A2BC_aP24_2_6i_3i_3i_ClOSi__TE_771301094805_001 Equilibrium crystal structure and energy for ClOSi in AFLOW crystal prototype A2BC_aP24_2_6i_3i_3i v001
EquilibriumCrystalStructure_A2BC_hR4_166_c_a_b_ClCsI__TE_761413352286_001 Equilibrium crystal structure and energy for ClCsI in AFLOW crystal prototype A2BC_hR4_166_c_a_b v001
EquilibriumCrystalStructure_A2BC_mC32_15_2ef_f_f_ClCsLi__TE_658951519540_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A2BC_mC32_15_2ef_f_f v001
EquilibriumCrystalStructure_A2BC_mP32_14_4e_2e_2e_ClIK__TE_853038071639_001 Equilibrium crystal structure and energy for ClIK in AFLOW crystal prototype A2BC_mP32_14_4e_2e_2e v001
EquilibriumCrystalStructure_A2BC_tP8_129_ac_c_c_ClCsLi__TE_521376508699_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A2BC_tP8_129_ac_c_c v001
EquilibriumCrystalStructure_A3B2C_oC24_63_cf_2c_c_ClCsLi__TE_699307103141_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A3B2C_oC24_63_cf_2c_c v001
EquilibriumCrystalStructure_A3B_aP8_2_3i_i_ClI__TE_101258440758_002 Equilibrium crystal structure and energy for ClI in AFLOW crystal prototype A3B_aP8_2_3i_i v002
EquilibriumCrystalStructure_A3BC2_oI12_71_af_b_e_ClCsLi__TE_124484172437_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A3BC2_oI12_71_af_b_e v001
EquilibriumCrystalStructure_A3BC2_oP24_60_cd_c_d_ClCsLi__TE_609019531518_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A3BC2_oP24_60_cd_c_d v001
EquilibriumCrystalStructure_A4B3C_oC16_38_abc_ac_b_ClCsLi__TE_920772142104_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A4B3C_oC16_38_abc_ac_b v001
EquilibriumCrystalStructure_A4B8C5_tI34_82_g_2g_ag_ClHSi__TE_884712502589_001 Equilibrium crystal structure and energy for ClHSi in AFLOW crystal prototype A4B8C5_tI34_82_g_2g_ag v001
EquilibriumCrystalStructure_A4B_mP20_14_4e_e_ClSi__TE_195952369334_001 Equilibrium crystal structure and energy for ClSi in AFLOW crystal prototype A4B_mP20_14_4e_e v001
EquilibriumCrystalStructure_A4BC3_oC32_63_4c_c_3c_ClCsLi__TE_295058945347_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A4BC3_oC32_63_4c_c_3c v001
EquilibriumCrystalStructure_A4BC_mP24_14_4e_e_e_ClIK__TE_803294828331_001 Equilibrium crystal structure and energy for ClIK in AFLOW crystal prototype A4BC_mP24_14_4e_e_e v001
EquilibriumCrystalStructure_A5B3C2_mC20_8_a2b_ab_b_ClCsLi__TE_927787014546_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A5B3C2_mC20_8_a2b_ab_b v001
EquilibriumCrystalStructure_A8B2C3_oP52_62_2c3d_d_cd_ClOSi__TE_996120681203_001 Equilibrium crystal structure and energy for ClOSi in AFLOW crystal prototype A8B2C3_oP52_62_2c3d_d_cd v001
EquilibriumCrystalStructure_A8B3_cF176_219_eh_abe_ClSi__TE_536450723674_001 Equilibrium crystal structure and energy for ClSi in AFLOW crystal prototype A8B3_cF176_219_eh_abe v001
EquilibriumCrystalStructure_A_oC8_64_f_Cl__TE_276842811185_002 Equilibrium crystal structure and energy for Cl in AFLOW crystal prototype A_oC8_64_f v002
EquilibriumCrystalStructure_A_tP16_138_j_Cl__TE_311106880602_002 Equilibrium crystal structure and energy for Cl in AFLOW crystal prototype A_tP16_138_j v002
EquilibriumCrystalStructure_AB13C6_oP80_57_c_d6e_2d2e_ClHO__TE_261164767440_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB13C6_oP80_57_c_d6e_2d2e v001
EquilibriumCrystalStructure_AB2_oP24_61_c_2c_ClO__TE_267709046155_001 Equilibrium crystal structure and energy for ClO in AFLOW crystal prototype AB2_oP24_61_c_2c v001
EquilibriumCrystalStructure_AB2CD5_mC72_15_f_2f_ae_5f_ClHNaO__TE_634972925551_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB2CD5_mC72_15_f_2f_ae_5f v001
EquilibriumCrystalStructure_AB3_hP8_176_c_h_CeCl__TE_691903227219_001 Equilibrium crystal structure and energy for CeCl in AFLOW crystal prototype AB3_hP8_176_c_h v001
EquilibriumCrystalStructure_AB3_mC32_9_2a_6a_ClO__TE_649715372498_001 Equilibrium crystal structure and energy for ClO in AFLOW crystal prototype AB3_mC32_9_2a_6a v001
EquilibriumCrystalStructure_AB3_mP32_14_2e_6e_ClF__TE_673945078765_002 Equilibrium crystal structure and energy for ClF in AFLOW crystal prototype AB3_mP32_14_2e_6e v002
EquilibriumCrystalStructure_AB3_oP16_62_c_cd_ClF__TE_700424453582_002 Equilibrium crystal structure and energy for ClF in AFLOW crystal prototype AB3_oP16_62_c_cd v002
EquilibriumCrystalStructure_AB3C14D7_aP50_2_i_3i_14i_7i_CeClHO__TE_756475321899_001 Equilibrium crystal structure and energy for CeClHO in AFLOW crystal prototype AB3C14D7_aP50_2_i_3i_14i_7i v001
EquilibriumCrystalStructure_AB3C5_mP36_14_e_3e_5e_ClHO__TE_826322730524_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB3C5_mP36_14_e_3e_5e v001
EquilibriumCrystalStructure_AB3C5_oP36_62_c_cd_3cd_ClHO__TE_049191346743_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB3C5_oP36_62_c_cd_3cd v001
EquilibriumCrystalStructure_AB3C_cP5_221_a_c_b_ClNaO__TE_748162408694_001 Equilibrium crystal structure and energy for ClNaO in AFLOW crystal prototype AB3C_cP5_221_a_c_b v001
EquilibriumCrystalStructure_AB4CD2_mP32_14_e_4e_e_2e_ClHNaO__TE_122196567708_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB4CD2_mP32_14_e_4e_e_2e v001
EquilibriumCrystalStructure_AB4CD6_aP24_2_i_4i_i_6i_ClHNaO__TE_599690820260_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB4CD6_aP24_2_i_4i_i_6i v001
EquilibriumCrystalStructure_AB5C2_mP32_14_e_5e_2e_ClHO__TE_921532558036_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB5C2_mP32_14_e_5e_2e v001
EquilibriumCrystalStructure_AB6CD5_aP26_2_i_6i_i_5i_ClHNaO__TE_568757875966_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB6CD5_aP26_2_i_6i_i_5i v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_ClCs__TE_959007356841_002 Equilibrium crystal structure and energy for ClCs in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_ClH__TE_161726967235_001 Equilibrium crystal structure and energy for ClH in AFLOW crystal prototype AB_cF8_225_a_b v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_ClK__TE_327870808581_002 Equilibrium crystal structure and energy for ClK in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_ClLi__TE_095199391698_002 Equilibrium crystal structure and energy for ClLi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_ClNa__TE_620029719949_002 Equilibrium crystal structure and energy for ClNa in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_ClRb__TE_044977860885_002 Equilibrium crystal structure and energy for ClRb in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_ClCs__TE_696466959885_002 Equilibrium crystal structure and energy for ClCs in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_ClK__TE_957979520248_002 Equilibrium crystal structure and energy for ClK in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_ClNa__TE_095214339168_002 Equilibrium crystal structure and energy for ClNa in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_ClRb__TE_792202515164_002 Equilibrium crystal structure and energy for ClRb in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_mP16_14_2e_2e_ClI__TE_540914421966_002 Equilibrium crystal structure and energy for ClI in AFLOW crystal prototype AB_mP16_14_2e_2e v002
EquilibriumCrystalStructure_AB_mP8_14_e_e_ClF__TE_091447813997_002 Equilibrium crystal structure and energy for ClF in AFLOW crystal prototype AB_mP8_14_e_e v002
EquilibriumCrystalStructure_AB_oC8_36_a_a_BrCl__TE_799365271293_002 Equilibrium crystal structure and energy for BrCl in AFLOW crystal prototype AB_oC8_36_a_a v002
EquilibriumCrystalStructure_AB_tI4_139_a_b_ClH__TE_802130366465_001 Equilibrium crystal structure and energy for ClH in AFLOW crystal prototype AB_tI4_139_a_b v001
EquilibriumCrystalStructure_ABC3_cP20_198_a_a_b_ClNaO__TE_243924496845_001 Equilibrium crystal structure and energy for ClNaO in AFLOW crystal prototype ABC3_cP20_198_a_a_b v001
EquilibriumCrystalStructure_ABC4_cF24_216_a_b_e_ClNaO__TE_904476998565_001 Equilibrium crystal structure and energy for ClNaO in AFLOW crystal prototype ABC4_cF24_216_a_b_e v001
EquilibriumCrystalStructure_ABC4_oC24_63_c_c_fg_ClNaO__TE_946401897678_001 Equilibrium crystal structure and energy for ClNaO in AFLOW crystal prototype ABC4_oC24_63_c_c_fg v001
EquilibriumCrystalStructure_ABC4_oP24_62_c_c_2cd_ClNaO__TE_554183607631_001 Equilibrium crystal structure and energy for ClNaO in AFLOW crystal prototype ABC4_oP24_62_c_c_2cd v001
EquilibriumCrystalStructure_ABC_tP6_129_c_c_a_CeClO__TE_313915664745_001 Equilibrium crystal structure and energy for CeClO in AFLOW crystal prototype ABC_tP6_129_c_c_a v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_cF8_225_a_b_ClNa__TE_102563389665_000 Unconstrained equilibrium crystal structure and energy of AB_cF8_225_a_b:Cl:Na expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_cP2_221_a_b_ClNa__TE_887131284947_000 Unconstrained equilibrium crystal structure and energy of AB_cP2_221_a_b:Cl:Na expressed in core-shell atom types and bonding v000
LatticeConstantCubicEnergy_bcc_Cl__TE_271634182494_007 Equilibrium zero-temperature lattice constant for bcc Cl v007
LatticeConstantCubicEnergy_diamond_Cl__TE_785863539731_007 Equilibrium zero-temperature lattice constant for diamond Cl v007
LatticeConstantCubicEnergy_fcc_Cl__TE_678736369577_007 Equilibrium zero-temperature lattice constant for fcc Cl v007
LatticeConstantCubicEnergy_sc_Cl__TE_161643870908_007 Equilibrium zero-temperature lattice constant for sc Cl v007
LatticeConstantHexagonalEnergy_hcp_Cl__TE_534169925214_005 Equilibrium lattice constants for hcp Cl v005
Cm
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Cm__TE_432694201180_004 Cohesive energy versus lattice constant curve for bcc Cm v004
CohesiveEnergyVsLatticeConstant_diamond_Cm__TE_365109122013_004 Cohesive energy versus lattice constant curve for diamond Cm v004
CohesiveEnergyVsLatticeConstant_fcc_Cm__TE_954052052650_004 Cohesive energy versus lattice constant curve for fcc Cm v004
CohesiveEnergyVsLatticeConstant_sc_Cm__TE_033004864587_004 Cohesive energy versus lattice constant curve for sc Cm v004
ElasticConstantsCubic_bcc_Cm__TE_131687551269_006 Elastic constants for bcc Cm at zero temperature v006
ElasticConstantsCubic_diamond_Cm__TE_740705675846_001 Elastic constants for diamond Cm at zero temperature v001
ElasticConstantsCubic_fcc_Cm__TE_091014215486_006 Elastic constants for fcc Cm at zero temperature v006
ElasticConstantsCubic_sc_Cm__TE_977137921880_006 Elastic constants for sc Cm at zero temperature v006
ElasticConstantsHexagonal_hcp_Cm__TE_635035556537_004 Elastic constants for hcp Cm at zero temperature v004
LatticeConstantCubicEnergy_bcc_Cm__TE_389850911672_007 Equilibrium zero-temperature lattice constant for bcc Cm v007
LatticeConstantCubicEnergy_diamond_Cm__TE_179799870926_007 Equilibrium zero-temperature lattice constant for diamond Cm v007
LatticeConstantCubicEnergy_fcc_Cm__TE_212236380095_007 Equilibrium zero-temperature lattice constant for fcc Cm v007
LatticeConstantCubicEnergy_sc_Cm__TE_598662543117_007 Equilibrium zero-temperature lattice constant for sc Cm v007
LatticeConstantHexagonalEnergy_hcp_Cm__TE_512303374125_005 Equilibrium lattice constants for hcp Cm v005
Co
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Co__TE_543234338606_004 Cohesive energy versus lattice constant curve for bcc Co v004
CohesiveEnergyVsLatticeConstant_diamond_Co__TE_163601210424_004 Cohesive energy versus lattice constant curve for diamond Co v004
CohesiveEnergyVsLatticeConstant_fcc_Co__TE_330933966103_004 Cohesive energy versus lattice constant curve for fcc Co v004
CohesiveEnergyVsLatticeConstant_sc_Co__TE_645248487394_004 Cohesive energy versus lattice constant curve for sc Co v004
ElasticConstantsCubic_bcc_Co__TE_124276697784_006 Elastic constants for bcc Co at zero temperature v006
ElasticConstantsCubic_diamond_Co__TE_556245374655_001 Elastic constants for diamond Co at zero temperature v001
ElasticConstantsCubic_fcc_Co__TE_927061832654_006 Elastic constants for fcc Co at zero temperature v006
ElasticConstantsCubic_sc_Co__TE_645150076707_006 Elastic constants for sc Co at zero temperature v006
ElasticConstantsHexagonal_hcp_Co__TE_352065913084_004 Elastic constants for hcp Co at zero temperature v004
EquilibriumCrystalStructure_A13B4_oP102_31_17a11b_8a2b_AlCo__TE_373023624848_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype A13B4_oP102_31_17a11b_8a2b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CoTi__TE_357891116361_002 Equilibrium crystal structure and energy for CoTi in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_oC48_63_acdfg_2f_CoTi__TE_481512513296_002 Equilibrium crystal structure and energy for CoTi in AFLOW crystal prototype A2B_oC48_63_acdfg_2f v002
EquilibriumCrystalStructure_A3B13_tP16_123_abc_defr_CoFe__TE_672878310254_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype A3B13_tP16_123_abc_defr v002
EquilibriumCrystalStructure_A3B5_cI16_229_b_ac_CoFe__TE_100829156376_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype A3B5_cI16_229_b_ac v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoCr__TE_031378669452_002 Equilibrium crystal structure and energy for CoCr in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoFe__TE_826139908199_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoMn__TE_744929980730_002 Equilibrium crystal structure and energy for CoMn in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoNi__TE_979134007065_002 Equilibrium crystal structure and energy for CoNi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoTi__TE_945395222159_002 Equilibrium crystal structure and energy for CoTi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoV__TE_105557612604_002 Equilibrium crystal structure and energy for CoV in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_hP8_194_h_c_CoTi__TE_936756528126_002 Equilibrium crystal structure and energy for CoTi in AFLOW crystal prototype A3B_hP8_194_h_c v002
EquilibriumCrystalStructure_A3B_oC16_63_cg_c_CoV__TE_893651087361_002 Equilibrium crystal structure and energy for CoV in AFLOW crystal prototype A3B_oC16_63_cg_c v002
EquilibriumCrystalStructure_A3B_oC48_63_cfgh_cf_CoV__TE_048626026875_002 Equilibrium crystal structure and energy for CoV in AFLOW crystal prototype A3B_oC48_63_cfgh_cf v002
EquilibriumCrystalStructure_A5B11_tP16_123_aef_bcdr_CoFe__TE_198373319240_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype A5B11_tP16_123_aef_bcdr v002
EquilibriumCrystalStructure_A5B2_hP28_194_ahk_ch_AlCo__TE_992676508790_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype A5B2_hP28_194_ahk_ch v002
EquilibriumCrystalStructure_A7B9_cP16_221_acd_bg_CoFe__TE_543871336384_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype A7B9_cP16_221_acd_bg v002
EquilibriumCrystalStructure_A9B2_mP22_14_a4e_e_AlCo__TE_345368281616_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype A9B2_mP22_14_a4e_e v002
EquilibriumCrystalStructure_A_cF4_225_a_Co__TE_294888984716_002 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Co__TE_729718011959_002 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_oC4_63_c_Co__TE_927875574069_002 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_oC4_63_c v002
EquilibriumCrystalStructure_A_tI2_139_a_Co__TE_262354230479_002 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_tI2_139_a v002
EquilibriumCrystalStructure_A_tP28_136_f2ij_Co__TE_903636876851_002 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_tP28_136_f2ij v002
EquilibriumCrystalStructure_AB15_cP16_221_a_bcdg_CoFe__TE_402715824655_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype AB15_cP16_221_a_bcdg v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_CoTi__TE_972738890718_002 Equilibrium crystal structure and energy for CoTi in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_cF96_227_e_cf_CoTi__TE_880298034258_002 Equilibrium crystal structure and energy for CoTi in AFLOW crystal prototype AB2_cF96_227_e_cf v002
EquilibriumCrystalStructure_AB2C_cF16_225_a_c_b_AlCoCr__TE_142578992676_001 Equilibrium crystal structure and energy for AlCoCr in AFLOW crystal prototype AB2C_cF16_225_a_c_b v001
EquilibriumCrystalStructure_AB2C_cF16_225_a_c_b_AlCoFe__TE_359735035977_001 Equilibrium crystal structure and energy for AlCoFe in AFLOW crystal prototype AB2C_cF16_225_a_c_b v001
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AlCo__TE_744484734613_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_CoPt__TE_352461287243_002 Equilibrium crystal structure and energy for CoPt in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP8_223_a_c_CoV__TE_521924090825_002 Equilibrium crystal structure and energy for CoV in AFLOW crystal prototype AB3_cP8_223_a_c v002
EquilibriumCrystalStructure_AB3_hP8_194_c_h_AlCo__TE_192255173008_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype AB3_hP8_194_c_h v002
EquilibriumCrystalStructure_AB3_tP4_123_a_ce_CoFe__TE_080436668216_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype AB3_tP4_123_a_ce v002
EquilibriumCrystalStructure_AB7_cI16_229_a_bc_CoFe__TE_671200625406_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype AB7_cI16_229_a_bc v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlCo__TE_807869760782_002 Equilibrium crystal structure and energy for AlCo in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoCr__TE_512548295568_002 Equilibrium crystal structure and energy for CoCr in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoFe__TE_727239786157_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoMn__TE_667915210343_002 Equilibrium crystal structure and energy for CoMn in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoNi__TE_043669841051_002 Equilibrium crystal structure and energy for CoNi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoTi__TE_580239080216_002 Equilibrium crystal structure and energy for CoTi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoV__TE_765918625943_002 Equilibrium crystal structure and energy for CoV in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_CoPt__TE_386430469975_002 Equilibrium crystal structure and energy for CoPt in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Lithium_Cobalt_Oxide__TE_278739671768_000 Unconstrained equilibrium crystal structure and energy of Lithium Cobalt Oxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
LatticeConstantCubicEnergy_bcc_Co__TE_929276340991_007 Equilibrium zero-temperature lattice constant for bcc Co v007
LatticeConstantCubicEnergy_diamond_Co__TE_190298746217_007 Equilibrium zero-temperature lattice constant for diamond Co v007
LatticeConstantCubicEnergy_fcc_Co__TE_958754365395_007 Equilibrium zero-temperature lattice constant for fcc Co v007
LatticeConstantCubicEnergy_sc_Co__TE_577147852974_007 Equilibrium zero-temperature lattice constant for sc Co v007
LatticeConstantHexagonalEnergy_hcp_Co__TE_935255463196_005 Equilibrium lattice constants for hcp Co v005
VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001 Monovacancy formation energy and relaxation volume for hcp Co
VacancyFormationMigration_hcp_Co__TE_612779063208_001 Vacancy formation and migration energy for hcp Co
Cr
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Cr__TE_443786469455_004 Cohesive energy versus lattice constant curve for bcc Cr v004
CohesiveEnergyVsLatticeConstant_diamond_Cr__TE_898050936759_004 Cohesive energy versus lattice constant curve for diamond Cr v004
CohesiveEnergyVsLatticeConstant_fcc_Cr__TE_759706645513_004 Cohesive energy versus lattice constant curve for fcc Cr v004
CohesiveEnergyVsLatticeConstant_sc_Cr__TE_629231607166_004 Cohesive energy versus lattice constant curve for sc Cr v004
ElasticConstantsCubic_bcc_Cr__TE_381356414587_006 Elastic constants for bcc Cr at zero temperature v006
ElasticConstantsCubic_diamond_Cr__TE_702728291494_001 Elastic constants for diamond Cr at zero temperature v001
ElasticConstantsCubic_fcc_Cr__TE_839149748370_006 Elastic constants for fcc Cr at zero temperature v006
ElasticConstantsCubic_sc_Cr__TE_755073403781_006 Elastic constants for sc Cr at zero temperature v006
ElasticConstantsHexagonal_hcp_Cr__TE_054145354298_004 Elastic constants for hcp Cr at zero temperature v004
EquilibriumCrystalStructure_A2B3_hR10_167_c_e_CrO__TE_514337148724_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype A2B3_hR10_167_c_e v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CrFe__TE_232841123830_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CrNi__TE_030903509663_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A3B8_mC22_12_ai_2ij_CrO__TE_799796184536_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype A3B8_mC22_12_ai_2ij v002
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_CrNi__TE_106751846143_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoCr__TE_031378669452_002 Equilibrium crystal structure and energy for CoCr in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CrFe__TE_980464442683_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CrNi__TE_894969408520_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP8_223_c_a_CrO__TE_873824590709_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype A3B_cP8_223_c_a v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_CrFe__TE_814833749288_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A45B7_mC104_12_a8i7j_cij_AlCr__TE_444969506738_002 Equilibrium crystal structure and energy for AlCr in AFLOW crystal prototype A45B7_mC104_12_a8i7j_cij v002
EquilibriumCrystalStructure_A8B21_aP29_2_4i_a10i_CrO__TE_170263306463_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype A8B21_aP29_2_4i_a10i v002
EquilibriumCrystalStructure_A8B5_hR26_160_a3bc_a3b_AlCr__TE_803978351654_002 Equilibrium crystal structure and energy for AlCr in AFLOW crystal prototype A8B5_hR26_160_a3bc_a3b v002
EquilibriumCrystalStructure_A_cF4_225_a_Cr__TE_435490127528_002 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Cr__TE_340252374109_002 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_cP8_223_ac_Cr__TE_321324251581_002 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cP8_223_ac v002
EquilibriumCrystalStructure_A_hP2_194_c_Cr__TE_078404832532_002 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_tP28_136_f2ij_Cr__TE_404596177635_002 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_tP28_136_f2ij v002
EquilibriumCrystalStructure_AB2_cF12_225_a_c_CrO__TE_020413869552_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB2_cF12_225_a_c v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_CrFe__TE_870783480554_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_CrNi__TE_330192891046_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_cP12_205_a_c_CrO__TE_930635946043_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB2_cP12_205_a_c v002
EquilibriumCrystalStructure_AB2_oP12_60_c_d_CrO__TE_372108221476_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB2_oP12_60_c_d v002
EquilibriumCrystalStructure_AB2_oP6_58_a_g_CrO__TE_615596264074_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB2_oP6_58_a_g v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_AlCr__TE_619144939788_002 Equilibrium crystal structure and energy for AlCr in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB2_tP6_136_a_f_CrO__TE_749254084552_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB2_tP6_136_a_f v002
EquilibriumCrystalStructure_AB2C_cF16_225_a_c_b_AlCoCr__TE_142578992676_001 Equilibrium crystal structure and energy for AlCoCr in AFLOW crystal prototype AB2C_cF16_225_a_c_b v001
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CrFe__TE_440179682965_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CrNi__TE_603397726871_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_CrFe__TE_683151127764_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_oC32_40_c_3c_CrO__TE_304097830251_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB3_oC32_40_c_3c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CrO__TE_741063544258_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoCr__TE_512548295568_002 Equilibrium crystal structure and energy for CoCr in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_ABC2_cF16_225_a_b_c_AlCrFe__TE_631377060965_001 Equilibrium crystal structure and energy for AlCrFe in AFLOW crystal prototype ABC2_cF16_225_a_b_c v001
EquilibriumCrystalStructure_ABC2_cF16_225_a_b_c_AlCrNi__TE_976636071079_001 Equilibrium crystal structure and energy for AlCrNi in AFLOW crystal prototype ABC2_cF16_225_a_b_c v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Chromium_Oxide__TE_396348672999_000 Unconstrained equilibrium crystal structure and energy of Chromium Oxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
LatticeConstantCubicEnergy_bcc_Cr__TE_498936913986_007 Equilibrium zero-temperature lattice constant for bcc Cr v007
LatticeConstantCubicEnergy_diamond_Cr__TE_222357104822_007 Equilibrium zero-temperature lattice constant for diamond Cr v007
LatticeConstantCubicEnergy_fcc_Cr__TE_247939687975_007 Equilibrium zero-temperature lattice constant for fcc Cr v007
LatticeConstantCubicEnergy_sc_Cr__TE_827167589900_007 Equilibrium zero-temperature lattice constant for sc Cr v007
LatticeConstantHexagonalEnergy_hcp_Cr__TE_369561784443_005 Equilibrium lattice constants for hcp Cr v005
LinearThermalExpansionCoeff_bcc_Cr__TE_435511432078_002 Linear thermal expansion coefficient of bcc Cr at 293.15 K under a pressure of 0 MPa v002
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Cr__TE_431593503111_004 Broken-bond fit of high-symmetry surface energies in bcc Cr v004
VacancyFormationEnergyRelaxationVolume_bcc_Cr__TE_525187364582_001 Monovacancy formation energy and relaxation volume for bcc Cr
VacancyFormationMigration_bcc_Cr__TE_308041565541_001 Vacancy formation and migration energy for bcc Cr
Cs
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Cs__TE_577627611509_004 Cohesive energy versus lattice constant curve for bcc Cs v004
CohesiveEnergyVsLatticeConstant_diamond_Cs__TE_775907885499_004 Cohesive energy versus lattice constant curve for diamond Cs v004
CohesiveEnergyVsLatticeConstant_fcc_Cs__TE_738977471521_004 Cohesive energy versus lattice constant curve for fcc Cs v004
CohesiveEnergyVsLatticeConstant_sc_Cs__TE_291454088501_004 Cohesive energy versus lattice constant curve for sc Cs v004
ElasticConstantsCubic_bcc_Cs__TE_579385355842_006 Elastic constants for bcc Cs at zero temperature v006
ElasticConstantsCubic_diamond_Cs__TE_012662934866_001 Elastic constants for diamond Cs at zero temperature v001
ElasticConstantsCubic_fcc_Cs__TE_285737330496_006 Elastic constants for fcc Cs at zero temperature v006
ElasticConstantsCubic_sc_Cs__TE_174709371149_006 Elastic constants for sc Cs at zero temperature v006
ElasticConstantsHexagonal_hcp_Cs__TE_713626219187_004 Elastic constants for hcp Cs at zero temperature v004
EquilibriumCrystalStructure_A2B3C_oC24_36_2a_3a_a_CsILi__TE_832313826003_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype A2B3C_oC24_36_2a_3a_a v001
EquilibriumCrystalStructure_A2B5C3_mC20_12_i_a2i_ci_CsILi__TE_308812745498_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype A2B5C3_mC20_12_i_a2i_ci v001
EquilibriumCrystalStructure_A2B5C3_oC20_38_ab_3a2b_2ab_CsFLi__TE_904611168490_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype A2B5C3_oC20_38_ab_3a2b_2ab v001
EquilibriumCrystalStructure_A2BC_hR4_166_c_a_b_ClCsI__TE_761413352286_001 Equilibrium crystal structure and energy for ClCsI in AFLOW crystal prototype A2BC_hR4_166_c_a_b v001
EquilibriumCrystalStructure_A2BC_mC32_15_2ef_f_f_ClCsLi__TE_658951519540_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A2BC_mC32_15_2ef_f_f v001
EquilibriumCrystalStructure_A2BC_tP4_123_g_c_a_BrCsF__TE_372293869540_001 Equilibrium crystal structure and energy for BrCsF in AFLOW crystal prototype A2BC_tP4_123_g_c_a v001
EquilibriumCrystalStructure_A2BC_tP8_129_ac_c_c_ClCsLi__TE_521376508699_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A2BC_tP8_129_ac_c_c v001
EquilibriumCrystalStructure_A3B2C_oC24_63_cf_2c_c_ClCsLi__TE_699307103141_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A3B2C_oC24_63_cf_2c_c v001
EquilibriumCrystalStructure_A3B4C_mC32_12_3i_g3i_i_CsFLi__TE_656093043299_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype A3B4C_mC32_12_3i_g3i_i v001
EquilibriumCrystalStructure_A3B4C_mP16_11_a2e_2ef_e_CsILi__TE_535108341975_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype A3B4C_mP16_11_a2e_2ef_e v001
EquilibriumCrystalStructure_A3B5C2_tI20_139_ae_bde_e_CsFLi__TE_547766096141_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype A3B5C2_tI20_139_ae_bde_e v001
EquilibriumCrystalStructure_A3BC2_oI12_71_af_b_e_BrCsLi__TE_574176730329_001 Equilibrium crystal structure and energy for BrCsLi in AFLOW crystal prototype A3BC2_oI12_71_af_b_e v001
EquilibriumCrystalStructure_A3BC2_oI12_71_af_b_e_ClCsLi__TE_124484172437_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A3BC2_oI12_71_af_b_e v001
EquilibriumCrystalStructure_A3BC2_oP24_60_cd_c_d_ClCsLi__TE_609019531518_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A3BC2_oP24_60_cd_c_d v001
EquilibriumCrystalStructure_A4B3C_oC16_38_abc_ac_b_ClCsLi__TE_920772142104_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A4B3C_oC16_38_abc_ac_b v001
EquilibriumCrystalStructure_A4B3C_oC32_20_2ac_bc_b_BrCsLi__TE_343207272815_001 Equilibrium crystal structure and energy for BrCsLi in AFLOW crystal prototype A4B3C_oC32_20_2ac_bc_b v001
EquilibriumCrystalStructure_A4BC3_oC32_63_4c_c_3c_ClCsLi__TE_295058945347_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A4BC3_oC32_63_4c_c_3c v001
EquilibriumCrystalStructure_A5B3C2_mC20_8_a2b_ab_b_ClCsLi__TE_927787014546_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A5B3C2_mC20_8_a2b_ab_b v001
EquilibriumCrystalStructure_A_cF4_225_a_Cs__TE_187791496142_002 Equilibrium crystal structure and energy for Cs in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Cs__TE_771229044588_002 Equilibrium crystal structure and energy for Cs in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_oC4_63_c_Cs__TE_132419831684_002 Equilibrium crystal structure and energy for Cs in AFLOW crystal prototype A_oC4_63_c v002
EquilibriumCrystalStructure_A_oC84_20_a10c_Cs__TE_541919942779_002 Equilibrium crystal structure and energy for Cs in AFLOW crystal prototype A_oC84_20_a10c v002
EquilibriumCrystalStructure_A_oP4_62_c_Cs__TE_230181189611_002 Equilibrium crystal structure and energy for Cs in AFLOW crystal prototype A_oP4_62_c v002
EquilibriumCrystalStructure_A_tI2_139_a_Cs__TE_927281048527_002 Equilibrium crystal structure and energy for Cs in AFLOW crystal prototype A_tI2_139_a v002
EquilibriumCrystalStructure_A_tI4_141_a_Cs__TE_594911136915_002 Equilibrium crystal structure and energy for Cs in AFLOW crystal prototype A_tI4_141_a v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_CsK__TE_523395503156_002 Equilibrium crystal structure and energy for CsK in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_CsNa__TE_641077698564_002 Equilibrium crystal structure and energy for CsNa in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2C_mC32_15_f_2ef_f_CsFLi__TE_614913934020_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype AB2C_mC32_15_f_2ef_f v001
EquilibriumCrystalStructure_AB2C_oC32_36_2a_4a_2a_CsILi__TE_748843726034_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype AB2C_oC32_36_2a_4a_2a v001
EquilibriumCrystalStructure_AB4_mP20_14_e_4e_CsI__TE_914119528569_002 Equilibrium crystal structure and energy for CsI in AFLOW crystal prototype AB4_mP20_14_e_4e v002
EquilibriumCrystalStructure_AB4C3_mC32_12_i_gij_3i_CsFLi__TE_309606982610_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype AB4C3_mC32_12_i_gij_3i v001
EquilibriumCrystalStructure_AB4C3_mP16_6_2a_3a5b_3a3b_CsILi__TE_262961975396_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype AB4C3_mP16_6_2a_3a5b_3a3b v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_BrCs__TE_434376767011_002 Equilibrium crystal structure and energy for BrCs in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_ClCs__TE_959007356841_002 Equilibrium crystal structure and energy for ClCs in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CsF__TE_261672200291_002 Equilibrium crystal structure and energy for CsF in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CsI__TE_201276514993_002 Equilibrium crystal structure and energy for CsI in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_BrCs__TE_974986552056_002 Equilibrium crystal structure and energy for BrCs in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_ClCs__TE_696466959885_002 Equilibrium crystal structure and energy for ClCs in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CsF__TE_300305333854_002 Equilibrium crystal structure and energy for CsF in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CsI__TE_942530721885_002 Equilibrium crystal structure and energy for CsI in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_ABC6_hR8_148_a_b_f_BrCsF__TE_859521367021_001 Equilibrium crystal structure and energy for BrCsF in AFLOW crystal prototype ABC6_hR8_148_a_b_f v001
EquilibriumCrystalStructure_ABC_tI12_139_e_e_e_BrCsF__TE_369596009483_001 Equilibrium crystal structure and energy for BrCsF in AFLOW crystal prototype ABC_tI12_139_e_e_e v001
LatticeConstantCubicEnergy_bcc_Cs__TE_629135245492_007 Equilibrium zero-temperature lattice constant for bcc Cs v007
LatticeConstantCubicEnergy_diamond_Cs__TE_597152627867_007 Equilibrium zero-temperature lattice constant for diamond Cs v007
LatticeConstantCubicEnergy_fcc_Cs__TE_463571146589_007 Equilibrium zero-temperature lattice constant for fcc Cs v007
LatticeConstantCubicEnergy_sc_Cs__TE_880839356614_007 Equilibrium zero-temperature lattice constant for sc Cs v007
LatticeConstantHexagonalEnergy_hcp_Cs__TE_114252727157_005 Equilibrium lattice constants for hcp Cs v005
LinearThermalExpansionCoeff_bcc_Cs__TE_124842053505_002 Linear thermal expansion coefficient of bcc Cs at 293.15 K under a pressure of 0 MPa v002
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Cs__TE_771556685416_004 Broken-bond fit of high-symmetry surface energies in bcc Cs v004
VacancyFormationEnergyRelaxationVolume_bcc_Cs__TE_318990141195_001 Monovacancy formation energy and relaxation volume for bcc Cs
VacancyFormationMigration_bcc_Cs__TE_786510643277_001 Vacancy formation and migration energy for bcc Cs
Cu
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_004 Cohesive energy versus lattice constant curve for bcc Cu v004
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_004 Cohesive energy versus lattice constant curve for diamond Cu v004
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_004 Cohesive energy versus lattice constant curve for fcc Cu v004
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_004 Cohesive energy versus lattice constant curve for sc Cu v004
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_01m1__TE_930321585596_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [0, 1, -1] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_101__TE_180709707546_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 0, 1] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_110__TE_603095467354_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 1, 0] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_12m1__TE_961957264914_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 2, -1] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_13m2__TE_268199041535_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 3, -2] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_14m3__TE_366440454954_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 4, -3] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_15m4__TE_646782498415_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 5, -4] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_1m12__TE_527832214254_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, -1, 2] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_211__TE_724495738591_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [2, 1, 1] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_23m1__TE_074783685866_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [2, 3, -1] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_25m3__TE_355052835240_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [2, 5, -3] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_2m13__TE_861154747788_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [2, -1, 3] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_312__TE_565775825646_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, 1, 2] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_321__TE_831345374563_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, 2, 1] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_34m1__TE_982479211843_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, 4, -1] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_35m2__TE_904002246719_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, 5, -2] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_3m14__TE_324984592951_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, -1, 4] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_3m25__TE_498727909822_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [3, -2, 5] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_413__TE_209826250404_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [4, 1, 3] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_431__TE_973046683004_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [4, 3, 1] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_4m15__TE_377297062656_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [4, -1, 5] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_514__TE_984956595045_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [5, 1, 4] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_523__TE_075584112191_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [5, 2, 3] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_532__TE_848329751941_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [5, 3, 2] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_57m2__TE_061328590110_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [5, 7, -2] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_5m27__TE_648751449223_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [5, -2, 7] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_752__TE_131380790455_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [7, 5, 2] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_7m18__TE_285284237971_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [7, -1, 8] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_m11m2__TE_711858656366_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-1, 1, -2] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_m12m3__TE_491549163905_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-1, 2, -3] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_m13m4__TE_761558607017_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-1, 3, -4] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_m14m5__TE_988730441972_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-1, 4, -5] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_m17m8__TE_498898798424_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-1, 7, -8] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_m23m5__TE_907867709148_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-2, 3, -5] v000
DislocationCoreEnergyCubic_fcc_Cu_0p50p50_m25m7__TE_091884414009_000 Dislocation core energy for fcc Cu computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [-2, 5, -7] v000
ElasticConstantsCubic_bcc_Cu__TE_091603841600_006 Elastic constants for bcc Cu at zero temperature v006
ElasticConstantsCubic_diamond_Cu__TE_330878926469_001 Elastic constants for diamond Cu at zero temperature v001
ElasticConstantsCubic_fcc_Cu__TE_188557531340_006 Elastic constants for fcc Cu at zero temperature v006
ElasticConstantsCubic_sc_Cu__TE_319353354686_006 Elastic constants for sc Cu at zero temperature v006
ElasticConstantsFirstStrainGradientNumerical_fcc_Cu__TE_948689877911_000 Classical and first strain gradient elastic constants for fcc copper
ElasticConstantsHexagonal_hcp_Cu__TE_198002759922_004 Elastic constants for hcp Cu at zero temperature v004
EquilibriumCrystalStructure_A10B7_oC68_64_f2g_adef_CuZr__TE_425231666742_002 Equilibrium crystal structure and energy for CuZr in AFLOW crystal prototype A10B7_oC68_64_f2g_adef v002
EquilibriumCrystalStructure_A15B4_cI76_220_ae_c_CuSi__TE_684342186166_002 Equilibrium crystal structure and energy for CuSi in AFLOW crystal prototype A15B4_cI76_220_ae_c v002
EquilibriumCrystalStructure_A16B6C7_cF116_225_2f_e_ad_CuMgSi__TE_648346357888_001 Equilibrium crystal structure and energy for CuMgSi in AFLOW crystal prototype A16B6C7_cF116_225_2f_e_ad v001
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CuMg__TE_381209059885_002 Equilibrium crystal structure and energy for CuMg in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_tI12_140_h_a_AlCu__TE_795022302988_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype A2B_tI12_140_h_a v002
EquilibriumCrystalStructure_A2B_tP3_123_e_a_AlCu__TE_780069591415_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype A2B_tP3_123_e_a v002
EquilibriumCrystalStructure_A2BC_oC16_63_f_c_c_AlCuMg__TE_361486192722_001 Equilibrium crystal structure and energy for AlCuMg in AFLOW crystal prototype A2BC_oC16_63_f_c_c v001
EquilibriumCrystalStructure_A3B2_hP5_164_ad_d_AlCu__TE_472812627644_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype A3B2_hP5_164_ad_d v002
EquilibriumCrystalStructure_A3B2_tI10_139_ae_e_CuTi__TE_718328795261_002 Equilibrium crystal structure and energy for CuTi in AFLOW crystal prototype A3B2_tI10_139_ae_e v002
EquilibriumCrystalStructure_A3B2C_hP12_194_h_f_a_CuMgSi__TE_293439663107_001 Equilibrium crystal structure and energy for CuMgSi in AFLOW crystal prototype A3B2C_hP12_194_h_f_a v001
EquilibriumCrystalStructure_A3B_cP4_221_c_a_AuCu__TE_477003274323_002 Equilibrium crystal structure and energy for AuCu in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CuN__TE_548367593741_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CuPd__TE_355933216063_002 Equilibrium crystal structure and energy for CuPd in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CuPt__TE_883273024920_002 Equilibrium crystal structure and energy for CuPt in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_b_CuN__TE_444549016001_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype A3B_cP4_221_c_b v002
EquilibriumCrystalStructure_A3B_oP8_59_ae_b_CuTi__TE_328444747383_002 Equilibrium crystal structure and energy for CuTi in AFLOW crystal prototype A3B_oP8_59_ae_b v002
EquilibriumCrystalStructure_A3B_tP28_123_aeg2h3i_c2gh_CuPd__TE_396236949145_002 Equilibrium crystal structure and energy for CuPd in AFLOW crystal prototype A3B_tP28_123_aeg2h3i_c2gh v002
EquilibriumCrystalStructure_A3B_tP28_99_4a3b7c_3a4b_CuPd__TE_096501027357_002 Equilibrium crystal structure and energy for CuPd in AFLOW crystal prototype A3B_tP28_99_4a3b7c_3a4b v002
EquilibriumCrystalStructure_A3B_tP32_123_ilmnr_abcdef_CuN__TE_021962635450_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype A3B_tP32_123_ilmnr_abcdef v002
EquilibriumCrystalStructure_A3B_tP8_123_egh_ab_CuN__TE_004983467210_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype A3B_tP8_123_egh_ab v002
EquilibriumCrystalStructure_A4B3_tI14_139_2e_ae_CuTi__TE_902413237843_002 Equilibrium crystal structure and energy for CuTi in AFLOW crystal prototype A4B3_tI14_139_2e_ae v002
EquilibriumCrystalStructure_A4B9_cP52_215_ei_3efgi_AlCu__TE_886579160060_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype A4B9_cP52_215_ei_3efgi v002
EquilibriumCrystalStructure_A4B_oP20_62_4c_c_CuTi__TE_038089084433_002 Equilibrium crystal structure and energy for CuTi in AFLOW crystal prototype A4B_oP20_62_4c_c v002
EquilibriumCrystalStructure_A4B_tP20_84_afjk_j_CuPd__TE_893290039204_002 Equilibrium crystal structure and energy for CuPd in AFLOW crystal prototype A4B_tP20_84_afjk_j v002
EquilibriumCrystalStructure_A5B6C2_cP39_200_bfi_ek_g_AlCuMg__TE_407375971320_001 Equilibrium crystal structure and energy for AlCuMg in AFLOW crystal prototype A5B6C2_cP39_200_bfi_ek_g v001
EquilibriumCrystalStructure_A5B_cF24_216_ae_c_CuZr__TE_518899319140_002 Equilibrium crystal structure and energy for CuZr in AFLOW crystal prototype A5B_cF24_216_ae_c v002
EquilibriumCrystalStructure_A7B2C_tP40_128_egi_h_e_AlCuFe__TE_032013091685_001 Equilibrium crystal structure and energy for AlCuFe in AFLOW crystal prototype A7B2C_tP40_128_egi_h_e v001
EquilibriumCrystalStructure_A_cF4_225_a_Cu__TE_837916119813_002 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Cu__TE_664287069231_002 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_AB2_cF96_227_e_cf_CuTi__TE_234206200590_002 Equilibrium crystal structure and energy for CuTi in AFLOW crystal prototype AB2_cF96_227_e_cf v002
EquilibriumCrystalStructure_AB2_cF96_227_e_cf_CuZr__TE_914635376793_002 Equilibrium crystal structure and energy for CuZr in AFLOW crystal prototype AB2_cF96_227_e_cf v002
EquilibriumCrystalStructure_AB2_oF48_70_e_ef_CuMg__TE_275818889190_002 Equilibrium crystal structure and energy for CuMg in AFLOW crystal prototype AB2_oF48_70_e_ef v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_CuTi__TE_437128695620_002 Equilibrium crystal structure and energy for CuTi in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_CuZr__TE_530395640998_002 Equilibrium crystal structure and energy for CuZr in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlCu__TE_023354456595_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AlCu__TE_391988908329_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AuCu__TE_445883677972_002 Equilibrium crystal structure and energy for AuCu in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_oP12_47_al_ejoz_AlCu__TE_574022612593_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype AB3_oP12_47_al_ejoz v002
EquilibriumCrystalStructure_AB3_oP32_61_c_3c_CuN__TE_917472114754_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype AB3_oP32_61_c_3c v002
EquilibriumCrystalStructure_AB3_tI16_140_a_ch_CuN__TE_050471237042_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype AB3_tI16_140_a_ch v002
EquilibriumCrystalStructure_AB3_tI32_88_c_df_CuN__TE_636275320110_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype AB3_tI32_88_c_df v002
EquilibriumCrystalStructure_AB3_tP4_123_a_ce_CuTi__TE_252631696439_002 Equilibrium crystal structure and energy for CuTi in AFLOW crystal prototype AB3_tP4_123_a_ce v002
EquilibriumCrystalStructure_AB3_tP4_123_a_ce_CuZr__TE_969695979880_002 Equilibrium crystal structure and energy for CuZr in AFLOW crystal prototype AB3_tP4_123_a_ce v002
EquilibriumCrystalStructure_AB6_oP28_62_c_6c_CuN__TE_977564418259_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype AB6_oP28_62_c_6c v002
EquilibriumCrystalStructure_AB7_cF32_225_a_bd_CuPt__TE_678754139613_002 Equilibrium crystal structure and energy for CuPt in AFLOW crystal prototype AB7_cF32_225_a_bd v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_CuN__TE_905932653381_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CuPd__TE_715441375539_002 Equilibrium crystal structure and energy for CuPd in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CuTi__TE_372478398814_002 Equilibrium crystal structure and energy for CuTi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CuZr__TE_274564406098_002 Equilibrium crystal structure and energy for CuZr in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_CuH__TE_012537377888_002 Equilibrium crystal structure and energy for CuH in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hR2_166_a_b_CuPt__TE_322889283746_002 Equilibrium crystal structure and energy for CuPt in AFLOW crystal prototype AB_hR2_166_a_b v002
EquilibriumCrystalStructure_AB_mC16_8_2ab_2ab_CuZr__TE_344009568096_002 Equilibrium crystal structure and energy for CuZr in AFLOW crystal prototype AB_mC16_8_2ab_2ab v002
EquilibriumCrystalStructure_AB_mC20_12_a2i_c2i_AlCu__TE_914729329759_002 Equilibrium crystal structure and energy for AlCu in AFLOW crystal prototype AB_mC20_12_a2i_c2i v002
EquilibriumCrystalStructure_AB_mP4_11_e_e_CuZr__TE_046330094854_002 Equilibrium crystal structure and energy for CuZr in AFLOW crystal prototype AB_mP4_11_e_e v002
EquilibriumCrystalStructure_AB_oC8_63_c_c_CuZr__TE_334295622441_002 Equilibrium crystal structure and energy for CuZr in AFLOW crystal prototype AB_oC8_63_c_c v002
EquilibriumCrystalStructure_AB_oI40_74_5e_5e_AuCu__TE_188644045020_002 Equilibrium crystal structure and energy for AuCu in AFLOW crystal prototype AB_oI40_74_5e_5e v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_AuCu__TE_607041822283_002 Equilibrium crystal structure and energy for AuCu in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_AB_tP4_123_g_g_CuTi__TE_826538372330_002 Equilibrium crystal structure and energy for CuTi in AFLOW crystal prototype AB_tP4_123_g_g v002
EquilibriumCrystalStructure_AB_tP4_129_c_c_CuTi__TE_998059389789_002 Equilibrium crystal structure and energy for CuTi in AFLOW crystal prototype AB_tP4_129_c_c v002
EquilibriumCrystalStructure_ABC2_tP4_123_a_c_e_AlCuPt__TE_252727209039_001 Equilibrium crystal structure and energy for AlCuPt in AFLOW crystal prototype ABC2_tP4_123_a_c_e v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Copper__TE_223045501550_000 Unconstrained equilibrium crystal structure and energy of Copper expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Copper__TE_217597096512_000 Unconstrained equilibrium crystal structure and energy of Copper expressed in PCFF-INTERFACE atom types and bonding v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Cu__TE_529988253259_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Cu v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Cu__TE_708214008908_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Cu v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Cu__TE_288691353820_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Cu v001
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_007 Equilibrium zero-temperature lattice constant for bcc Cu v007
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_007 Equilibrium zero-temperature lattice constant for diamond Cu v007
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_007 Equilibrium zero-temperature lattice constant for fcc Cu v007
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_007 Equilibrium zero-temperature lattice constant for sc Cu v007
LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_005 Equilibrium lattice constants for hcp Cu v005
LatticeInvariantShearPathCubicCrystalCBKIM_bcc_Cu__TE_946706801883_000 Cohesive energy versus <-1 1 0>{1 1 1} shear parameter relation for bcc Cu
LatticeInvariantShearPathCubicCrystalCBKIM_fcc_Cu__TE_376068270983_000 Cohesive energy versus <-1 1 0>{1 1 1} shear parameter relation for fcc Cu
LinearThermalExpansionCoeff_fcc_Cu__TE_335019190158_002 Linear thermal expansion coefficient of fcc Cu at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Cu__TE_575177044018_004 Phonon dispersion relations for fcc Cu v004
StackingFaultFccCrystal_0bar_Cu__TE_090810770014_002 Stacking and twinning fault energies for fcc Cu v002
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_004 Broken-bond fit of high-symmetry surface energies in fcc Cu v004
VacancyFormationEnergyRelaxationVolume_fcc_Cu__TE_864259611541_001 Monovacancy formation energy and relaxation volume for fcc Cu
VacancyFormationMigration_fcc_Cu__TE_038488899376_001 Vacancy formation and migration energy for fcc Cu
Dy
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Dy__TE_689915020430_004 Cohesive energy versus lattice constant curve for bcc Dy v004
CohesiveEnergyVsLatticeConstant_diamond_Dy__TE_469449566716_004 Cohesive energy versus lattice constant curve for diamond Dy v004
CohesiveEnergyVsLatticeConstant_fcc_Dy__TE_497543195471_004 Cohesive energy versus lattice constant curve for fcc Dy v004
CohesiveEnergyVsLatticeConstant_sc_Dy__TE_077462838367_004 Cohesive energy versus lattice constant curve for sc Dy v004
ElasticConstantsCubic_bcc_Dy__TE_611298998516_006 Elastic constants for bcc Dy at zero temperature v006
ElasticConstantsCubic_diamond_Dy__TE_475683089229_001 Elastic constants for diamond Dy at zero temperature v001
ElasticConstantsCubic_fcc_Dy__TE_013154787301_006 Elastic constants for fcc Dy at zero temperature v006
ElasticConstantsCubic_sc_Dy__TE_668791422145_006 Elastic constants for sc Dy at zero temperature v006
ElasticConstantsHexagonal_hcp_Dy__TE_734737305678_004 Elastic constants for hcp Dy at zero temperature v004
LatticeConstantCubicEnergy_bcc_Dy__TE_162598624198_007 Equilibrium zero-temperature lattice constant for bcc Dy v007
LatticeConstantCubicEnergy_diamond_Dy__TE_003023924435_007 Equilibrium zero-temperature lattice constant for diamond Dy v007
LatticeConstantCubicEnergy_fcc_Dy__TE_214560865537_007 Equilibrium zero-temperature lattice constant for fcc Dy v007
LatticeConstantCubicEnergy_sc_Dy__TE_020967713758_007 Equilibrium zero-temperature lattice constant for sc Dy v007
LatticeConstantHexagonalEnergy_hcp_Dy__TE_475696575171_005 Equilibrium lattice constants for hcp Dy v005
Er
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Er__TE_685235060418_004 Cohesive energy versus lattice constant curve for bcc Er v004
CohesiveEnergyVsLatticeConstant_diamond_Er__TE_518090545304_004 Cohesive energy versus lattice constant curve for diamond Er v004
CohesiveEnergyVsLatticeConstant_fcc_Er__TE_681597781501_004 Cohesive energy versus lattice constant curve for fcc Er v004
CohesiveEnergyVsLatticeConstant_sc_Er__TE_108169640286_004 Cohesive energy versus lattice constant curve for sc Er v004
ElasticConstantsCubic_bcc_Er__TE_308971009798_006 Elastic constants for bcc Er at zero temperature v006
ElasticConstantsCubic_diamond_Er__TE_088591568218_001 Elastic constants for diamond Er at zero temperature v001
ElasticConstantsCubic_fcc_Er__TE_445809890516_006 Elastic constants for fcc Er at zero temperature v006
ElasticConstantsCubic_sc_Er__TE_379541472453_006 Elastic constants for sc Er at zero temperature v006
ElasticConstantsHexagonal_hcp_Er__TE_435875812980_004 Elastic constants for hcp Er at zero temperature v004
LatticeConstantCubicEnergy_bcc_Er__TE_120311154864_007 Equilibrium zero-temperature lattice constant for bcc Er v007
LatticeConstantCubicEnergy_diamond_Er__TE_522483250015_007 Equilibrium zero-temperature lattice constant for diamond Er v007
LatticeConstantCubicEnergy_fcc_Er__TE_786368247628_007 Equilibrium zero-temperature lattice constant for fcc Er v007
LatticeConstantCubicEnergy_sc_Er__TE_474448567044_007 Equilibrium zero-temperature lattice constant for sc Er v007
LatticeConstantHexagonalEnergy_hcp_Er__TE_923488416934_005 Equilibrium lattice constants for hcp Er v005
Es
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Es__TE_387134929071_004 Cohesive energy versus lattice constant curve for bcc Es v004
CohesiveEnergyVsLatticeConstant_diamond_Es__TE_766028564083_004 Cohesive energy versus lattice constant curve for diamond Es v004
CohesiveEnergyVsLatticeConstant_fcc_Es__TE_205245510635_004 Cohesive energy versus lattice constant curve for fcc Es v004
CohesiveEnergyVsLatticeConstant_sc_Es__TE_483181241765_004 Cohesive energy versus lattice constant curve for sc Es v004
ElasticConstantsCubic_bcc_Es__TE_088201230707_006 Elastic constants for bcc Es at zero temperature v006
ElasticConstantsCubic_diamond_Es__TE_929275490360_001 Elastic constants for diamond Es at zero temperature v001
ElasticConstantsCubic_fcc_Es__TE_654391295555_006 Elastic constants for fcc Es at zero temperature v006
ElasticConstantsCubic_sc_Es__TE_250227488334_006 Elastic constants for sc Es at zero temperature v006
ElasticConstantsHexagonal_hcp_Es__TE_987176213608_004 Elastic constants for hcp Es at zero temperature v004
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Einsteinium__TE_477588950321_000 Unconstrained equilibrium crystal structure and energy of Einsteinium expressed in CHARMM-GUI INTERFACE atom types and bonding v000
LatticeConstantCubicEnergy_bcc_Es__TE_886824574342_007 Equilibrium zero-temperature lattice constant for bcc Es v007
LatticeConstantCubicEnergy_diamond_Es__TE_044707978872_007 Equilibrium zero-temperature lattice constant for diamond Es v007
LatticeConstantCubicEnergy_fcc_Es__TE_686151858283_007 Equilibrium zero-temperature lattice constant for fcc Es v007
LatticeConstantCubicEnergy_sc_Es__TE_873657341936_007 Equilibrium zero-temperature lattice constant for sc Es v007
LatticeConstantHexagonalEnergy_hcp_Es__TE_484662312623_005 Equilibrium lattice constants for hcp Es v005
StackingFaultFccCrystal_0bar_Es__TE_909489820839_002 Stacking and twinning fault energies for fcc Es v002
VacancyFormationEnergyRelaxationVolume_fcc_Es__TE_678780352741_001 Monovacancy formation energy and relaxation volume for fcc Es
VacancyFormationMigration_fcc_Es__TE_507588775324_001 Vacancy formation and migration energy for fcc Es
Eu
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Eu__TE_863421454045_004 Cohesive energy versus lattice constant curve for bcc Eu v004
CohesiveEnergyVsLatticeConstant_diamond_Eu__TE_883815818388_004 Cohesive energy versus lattice constant curve for diamond Eu v004
CohesiveEnergyVsLatticeConstant_fcc_Eu__TE_894237052460_004 Cohesive energy versus lattice constant curve for fcc Eu v004
CohesiveEnergyVsLatticeConstant_sc_Eu__TE_270465617790_004 Cohesive energy versus lattice constant curve for sc Eu v004
ElasticConstantsCubic_bcc_Eu__TE_892738072650_006 Elastic constants for bcc Eu at zero temperature v006
ElasticConstantsCubic_diamond_Eu__TE_322204616133_001 Elastic constants for diamond Eu at zero temperature v001
ElasticConstantsCubic_fcc_Eu__TE_119418559435_006 Elastic constants for fcc Eu at zero temperature v006
ElasticConstantsCubic_sc_Eu__TE_188208281262_006 Elastic constants for sc Eu at zero temperature v006
ElasticConstantsHexagonal_hcp_Eu__TE_796054898090_004 Elastic constants for hcp Eu at zero temperature v004
LatticeConstantCubicEnergy_bcc_Eu__TE_653290431511_007 Equilibrium zero-temperature lattice constant for bcc Eu v007
LatticeConstantCubicEnergy_diamond_Eu__TE_418531355403_007 Equilibrium zero-temperature lattice constant for diamond Eu v007
LatticeConstantCubicEnergy_fcc_Eu__TE_028501533139_007 Equilibrium zero-temperature lattice constant for fcc Eu v007
LatticeConstantCubicEnergy_sc_Eu__TE_817937543262_007 Equilibrium zero-temperature lattice constant for sc Eu v007
LatticeConstantHexagonalEnergy_hcp_Eu__TE_378241875809_005 Equilibrium lattice constants for hcp Eu v005
LinearThermalExpansionCoeff_bcc_Eu__TE_883193159339_002 Linear thermal expansion coefficient of bcc Eu at 293.15 K under a pressure of 0 MPa v002
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Eu__TE_630195944782_004 Broken-bond fit of high-symmetry surface energies in bcc Eu v004
F
Test Title
CohesiveEnergyVsLatticeConstant_bcc_F__TE_420879659079_004 Cohesive energy versus lattice constant curve for bcc F v004
CohesiveEnergyVsLatticeConstant_diamond_F__TE_956675435037_004 Cohesive energy versus lattice constant curve for diamond F v004
CohesiveEnergyVsLatticeConstant_fcc_F__TE_015378820111_004 Cohesive energy versus lattice constant curve for fcc F v004
CohesiveEnergyVsLatticeConstant_sc_F__TE_189040274544_004 Cohesive energy versus lattice constant curve for sc F v004
ElasticConstantsCubic_bcc_F__TE_078218235461_006 Elastic constants for bcc F at zero temperature v006
ElasticConstantsCubic_diamond_F__TE_848126345870_001 Elastic constants for diamond F at zero temperature v001
ElasticConstantsCubic_fcc_F__TE_971153157533_006 Elastic constants for fcc F at zero temperature v006
ElasticConstantsCubic_sc_F__TE_747098354436_006 Elastic constants for sc F at zero temperature v006
ElasticConstantsHexagonal_hcp_F__TE_796246072648_004 Elastic constants for hcp F at zero temperature v004
EquilibriumCrystalStructure_A11B7_mC72_12_5i3j_i3j_CF__TE_264100973495_002 Equilibrium crystal structure and energy for CF in AFLOW crystal prototype A11B7_mC72_12_5i3j_i3j v002
EquilibriumCrystalStructure_A2B5C3_oC20_38_ab_3a2b_2ab_CsFLi__TE_904611168490_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype A2B5C3_oC20_38_ab_3a2b_2ab v001
EquilibriumCrystalStructure_A2BC_mC32_15_2ef_f_f_FLiRb__TE_506601615905_001 Equilibrium crystal structure and energy for FLiRb in AFLOW crystal prototype A2BC_mC32_15_2ef_f_f v001
EquilibriumCrystalStructure_A2BC_tP4_123_g_c_a_BrCsF__TE_372293869540_001 Equilibrium crystal structure and energy for BrCsF in AFLOW crystal prototype A2BC_tP4_123_g_c_a v001
EquilibriumCrystalStructure_A3B4C_mC32_12_3i_g3i_i_CsFLi__TE_656093043299_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype A3B4C_mC32_12_3i_g3i_i v001
EquilibriumCrystalStructure_A3B5C2_tI20_139_ae_bde_e_CsFLi__TE_547766096141_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype A3B5C2_tI20_139_ae_bde_e v001
EquilibriumCrystalStructure_A3B_oP16_62_cd_c_FI__TE_361648118701_002 Equilibrium crystal structure and energy for FI in AFLOW crystal prototype A3B_oP16_62_cd_c v002
EquilibriumCrystalStructure_A5B_mC120_15_e12f_e2f_FI__TE_440930387471_002 Equilibrium crystal structure and energy for FI in AFLOW crystal prototype A5B_mC120_15_e12f_e2f v002
EquilibriumCrystalStructure_A7B_oC32_41_a3b_a_FI__TE_176878524891_002 Equilibrium crystal structure and energy for FI in AFLOW crystal prototype A7B_oC32_41_a3b_a v002
EquilibriumCrystalStructure_A_aP4_2_2i_F__TE_481358699633_002 Equilibrium crystal structure and energy for F in AFLOW crystal prototype A_aP4_2_2i v002
EquilibriumCrystalStructure_A_cP8_223_ac_F__TE_146819289318_002 Equilibrium crystal structure and energy for F in AFLOW crystal prototype A_cP8_223_ac v002
EquilibriumCrystalStructure_A_mC8_12_2i_F__TE_549503475741_002 Equilibrium crystal structure and energy for F in AFLOW crystal prototype A_mC8_12_2i v002
EquilibriumCrystalStructure_A_mC8_15_f_F__TE_124582154065_002 Equilibrium crystal structure and energy for F in AFLOW crystal prototype A_mC8_15_f v002
EquilibriumCrystalStructure_AB2_aP18_2_3i_6i_CF__TE_715848908817_002 Equilibrium crystal structure and energy for CF in AFLOW crystal prototype AB2_aP18_2_3i_6i v002
EquilibriumCrystalStructure_AB2C_mC32_15_f_2ef_f_CsFLi__TE_614913934020_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype AB2C_mC32_15_f_2ef_f v001
EquilibriumCrystalStructure_AB3_mP32_14_2e_6e_ClF__TE_673945078765_002 Equilibrium crystal structure and energy for ClF in AFLOW crystal prototype AB3_mP32_14_2e_6e v002
EquilibriumCrystalStructure_AB3_oC16_36_a_3a_BrF__TE_956470490059_002 Equilibrium crystal structure and energy for BrF in AFLOW crystal prototype AB3_oC16_36_a_3a v002
EquilibriumCrystalStructure_AB3_oP16_62_c_cd_ClF__TE_700424453582_002 Equilibrium crystal structure and energy for ClF in AFLOW crystal prototype AB3_oP16_62_c_cd v002
EquilibriumCrystalStructure_AB4_mC20_15_e_2f_CF__TE_825389503707_002 Equilibrium crystal structure and energy for CF in AFLOW crystal prototype AB4_mC20_15_e_2f v002
EquilibriumCrystalStructure_AB4C3_mC32_12_i_gij_3i_CsFLi__TE_309606982610_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype AB4C3_mC32_12_i_gij_3i v001
EquilibriumCrystalStructure_AB4C_tI24_140_b_l_c_BrFK__TE_166877561465_001 Equilibrium crystal structure and energy for BrFK in AFLOW crystal prototype AB4C_tI24_140_b_l_c v001
EquilibriumCrystalStructure_AB4C_tI24_140_d_l_a_BrFK__TE_518064975328_001 Equilibrium crystal structure and energy for BrFK in AFLOW crystal prototype AB4C_tI24_140_d_l_a v001
EquilibriumCrystalStructure_AB4C_tI24_140_d_l_c_BrFRb__TE_166427862354_001 Equilibrium crystal structure and energy for BrFRb in AFLOW crystal prototype AB4C_tI24_140_d_l_c v001
EquilibriumCrystalStructure_AB5_oC24_36_a_3ab_BrF__TE_023569459169_002 Equilibrium crystal structure and energy for BrF in AFLOW crystal prototype AB5_oC24_36_a_3ab v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CsF__TE_261672200291_002 Equilibrium crystal structure and energy for CsF in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FK__TE_704877517269_002 Equilibrium crystal structure and energy for FK in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FLi__TE_391312340071_002 Equilibrium crystal structure and energy for FLi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FNa__TE_966450807183_002 Equilibrium crystal structure and energy for FNa in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FRb__TE_264330033821_002 Equilibrium crystal structure and energy for FRb in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CsF__TE_300305333854_002 Equilibrium crystal structure and energy for CsF in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_FK__TE_321993236290_002 Equilibrium crystal structure and energy for FK in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_FLi__TE_476516786067_002 Equilibrium crystal structure and energy for FLi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_FRb__TE_870846678624_002 Equilibrium crystal structure and energy for FRb in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_mP8_14_e_e_ClF__TE_091447813997_002 Equilibrium crystal structure and energy for ClF in AFLOW crystal prototype AB_mP8_14_e_e v002
EquilibriumCrystalStructure_ABC6_hR8_148_a_b_f_BrCsF__TE_859521367021_001 Equilibrium crystal structure and energy for BrCsF in AFLOW crystal prototype ABC6_hR8_148_a_b_f v001
EquilibriumCrystalStructure_ABC_tI12_139_e_e_e_BrCsF__TE_369596009483_001 Equilibrium crystal structure and energy for BrCsF in AFLOW crystal prototype ABC_tI12_139_e_e_e v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_cF12_225_a_c_CaF__TE_185882332954_000 Unconstrained equilibrium crystal structure and energy of AB2_cF12_225_a_c:Ca:F expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_hR3_166_a_c_CaF__TE_602903071008_000 Unconstrained equilibrium crystal structure and energy of AB2_hR3_166_a_c:Ca:F expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_oP12_62_c_2c_CaF__TE_372718531987_000 Unconstrained equilibrium crystal structure and energy of AB2_oP12_62_c_2c:Ca:F expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_oP6_26_a_ab_CaF__TE_090943626130_000 Unconstrained equilibrium crystal structure and energy of AB2_oP6_26_a_ab:Ca:F expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_tP3_123_a_e_CaF__TE_626869503943_000 Unconstrained equilibrium crystal structure and energy of AB2_tP3_123_a_e:Ca:F expressed in core-shell atom types and bonding v000
LatticeConstantCubicEnergy_bcc_F__TE_308705954920_007 Equilibrium zero-temperature lattice constant for bcc F v007
LatticeConstantCubicEnergy_diamond_F__TE_856748300473_007 Equilibrium zero-temperature lattice constant for diamond F v007
LatticeConstantCubicEnergy_fcc_F__TE_573382890918_007 Equilibrium zero-temperature lattice constant for fcc F v007
LatticeConstantCubicEnergy_sc_F__TE_018079481847_007 Equilibrium zero-temperature lattice constant for sc F v007
LatticeConstantHexagonalEnergy_hcp_F__TE_530508786616_005 Equilibrium lattice constants for hcp F v005
VacancyFormationEnergyRelaxationVolume_sc_F__TE_005839643373_001 Monovacancy formation energy and relaxation volume for sc F
VacancyFormationMigration_sc_F__TE_932703233444_001 Vacancy formation and migration energy for sc F
Fe
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_004 Cohesive energy versus lattice constant curve for bcc Fe v004
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_004 Cohesive energy versus lattice constant curve for diamond Fe v004
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_004 Cohesive energy versus lattice constant curve for fcc Fe v004
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_004 Cohesive energy versus lattice constant curve for sc Fe v004
ElasticConstantsCubic_bcc_Fe__TE_740506315238_006 Elastic constants for bcc Fe at zero temperature v006
ElasticConstantsCubic_diamond_Fe__TE_086965548050_001 Elastic constants for diamond Fe at zero temperature v001
ElasticConstantsCubic_fcc_Fe__TE_943136713920_006 Elastic constants for fcc Fe at zero temperature v006
ElasticConstantsCubic_sc_Fe__TE_828391579283_006 Elastic constants for sc Fe at zero temperature v006
ElasticConstantsFirstStrainGradient_bcc_Fe__TE_132463034437_000 Classical and first strain gradient elastic constants for bcc iron
ElasticConstantsFirstStrainGradientNumerical_bcc_Fe__TE_177609823376_000 Classical and first strain gradient elastic constants for bcc iron
ElasticConstantsHexagonal_hcp_Fe__TE_092069407629_004 Elastic constants for hcp Fe at zero temperature v004
EquilibriumCrystalStructure_A11B5_cP16_221_cg_abd_FeSi__TE_378961907908_002 Equilibrium crystal structure and energy for FeSi in AFLOW crystal prototype A11B5_cP16_221_cg_abd v002
EquilibriumCrystalStructure_A2B3_cI80_206_ad_e_FeO__TE_206617128577_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A2B3_cI80_206_ad_e v002
EquilibriumCrystalStructure_A2B3_hR10_167_c_e_FeO__TE_807158519456_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A2B3_hR10_167_c_e v002
EquilibriumCrystalStructure_A2B3_oC20_63_ac_cf_FeO__TE_367439744216_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A2B3_oC20_63_ac_cf v002
EquilibriumCrystalStructure_A2B3_oP20_60_d_cd_FeO__TE_795848573835_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A2B3_oP20_60_d_cd v002
EquilibriumCrystalStructure_A2B3_oP40_33_4a_6a_FeO__TE_049130948746_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A2B3_oP40_33_4a_6a v002
EquilibriumCrystalStructure_A2B3C3_aP16_2_2i_3i_3i_AlFeSi__TE_439204724690_001 Equilibrium crystal structure and energy for AlFeSi in AFLOW crystal prototype A2B3C3_aP16_2_2i_3i_3i v001
EquilibriumCrystalStructure_A2B3C4_oC36_63_f_cf_2cf_AlFeSi__TE_626648254497_001 Equilibrium crystal structure and energy for AlFeSi in AFLOW crystal prototype A2B3C4_oC36_63_f_cf_2cf v001
EquilibriumCrystalStructure_A2B5_aP28_2_4i_10i_CFe__TE_438691954753_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_aP28_2_4i_10i v002
EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CrFe__TE_232841123830_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_FeNb__TE_907402314345_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_FeNi__TE_100043649315_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_hP12_194_ah_f_FeNb__TE_363203047223_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A2B_hP12_194_ah_f v002
EquilibriumCrystalStructure_A2B_hP12_194_ah_f_FeTi__TE_405082095384_002 Equilibrium crystal structure and energy for FeTi in AFLOW crystal prototype A2B_hP12_194_ah_f v002
EquilibriumCrystalStructure_A2B_hP12_194_ah_f_FeW__TE_427615430896_002 Equilibrium crystal structure and energy for FeW in AFLOW crystal prototype A2B_hP12_194_ah_f v002
EquilibriumCrystalStructure_A2B_hP24_194_fgh_ef_FeNb__TE_825139981287_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A2B_hP24_194_fgh_ef v002
EquilibriumCrystalStructure_A2B_hP6_164_abd_d_FeSi__TE_697821882486_002 Equilibrium crystal structure and energy for FeSi in AFLOW crystal prototype A2B_hP6_164_abd_d v002
EquilibriumCrystalStructure_A2B_hP9_189_fg_ad_FeP__TE_935676597244_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A2B_hP9_189_fg_ad v002
EquilibriumCrystalStructure_A2B_mC18_12_ij_ah_FeN__TE_449496836466_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A2B_mC18_12_ij_ah v002
EquilibriumCrystalStructure_A2B_mC18_5_3c_2ab_FeN__TE_810862004310_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A2B_mC18_5_3c_2ab v002
EquilibriumCrystalStructure_A2B_oC18_38_abde_ae_FeP__TE_467366456565_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A2B_oC18_38_abde_ae v002
EquilibriumCrystalStructure_A2B_oC24_63_acg_f_FeNb__TE_249295736734_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A2B_oC24_63_acg_f v002
EquilibriumCrystalStructure_A2B_oC24_63_acg_f_FeTi__TE_900606174706_002 Equilibrium crystal structure and energy for FeTi in AFLOW crystal prototype A2B_oC24_63_acg_f v002
EquilibriumCrystalStructure_A2B_oP12_29_2a_a_FeN__TE_003434178768_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A2B_oP12_29_2a_a v002
EquilibriumCrystalStructure_A2B_oP12_60_d_c_FeN__TE_244507272350_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A2B_oP12_60_d_c v002
EquilibriumCrystalStructure_A2BC_cF16_225_c_a_b_FeMnSi__TE_403881537096_001 Equilibrium crystal structure and energy for FeMnSi in AFLOW crystal prototype A2BC_cF16_225_c_a_b v001
EquilibriumCrystalStructure_A3B13_tP16_123_abc_defr_CoFe__TE_672878310254_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype A3B13_tP16_123_abc_defr v002
EquilibriumCrystalStructure_A3B2C_cF96_227_f_e_c_AlFeSi__TE_313553038387_001 Equilibrium crystal structure and energy for AlFeSi in AFLOW crystal prototype A3B2C_cF96_227_f_e_c v001
EquilibriumCrystalStructure_A3B4_cF56_216_abe_2e_FeO__TE_148339063997_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_cF56_216_abe_2e v002
EquilibriumCrystalStructure_A3B4_cF56_227_ad_e_FeO__TE_092774254312_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_cF56_227_ad_e v002
EquilibriumCrystalStructure_A3B4_hR14_166_acd_ch_FeO__TE_452381651721_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_hR14_166_acd_ch v002
EquilibriumCrystalStructure_A3B4_mP28_10_acehmno_2m2n2o_FeO__TE_682231043377_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_mP28_10_acehmno_2m2n2o v002
EquilibriumCrystalStructure_A3B4_oC28_63_cf_acf_FeO__TE_759388705407_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_oC28_63_cf_acf v002
EquilibriumCrystalStructure_A3B4_oI28_74_ace_hi_FeO__TE_897775676812_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_oI28_74_ace_hi v002
EquilibriumCrystalStructure_A3B4_oP28_57_de_cde_FeO__TE_878018485520_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_oP28_57_de_cde v002
EquilibriumCrystalStructure_A3B4_oP56_57_ac4d_4d2e_FeO__TE_059326389064_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_oP56_57_ac4d_4d2e v002
EquilibriumCrystalStructure_A3B5_cI16_229_b_ac_CoFe__TE_100829156376_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype A3B5_cI16_229_b_ac v002
EquilibriumCrystalStructure_A3B7_hP20_186_c_b2c_CFe__TE_468360230576_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A3B7_hP20_186_c_b2c v002
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_FeNb__TE_344697972112_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_FeNi__TE_329198268851_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_FeSi__TE_865302357983_002 Equilibrium crystal structure and energy for FeSi in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoFe__TE_826139908199_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CrFe__TE_980464442683_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_FeNb__TE_963884435968_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_FeNi__TE_248403352178_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_FePd__TE_753521510093_002 Equilibrium crystal structure and energy for FePd in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_FePt__TE_038222685942_002 Equilibrium crystal structure and energy for FePt in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_hP8_182_g_c_FeN__TE_572858716432_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A3B_hP8_182_g_c v002
EquilibriumCrystalStructure_A3B_mC16_5_3c_ab_FeN__TE_356999211343_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A3B_mC16_5_3c_ab v002
EquilibriumCrystalStructure_A3B_oC16_20_ac_b_FeN__TE_025527470200_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A3B_oC16_20_ac_b v002
EquilibriumCrystalStructure_A3B_oP16_62_cd_c_FeN__TE_376648009736_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A3B_oP16_62_cd_c v002
EquilibriumCrystalStructure_A3B_tI32_82_3g_g_FeP__TE_773208597489_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A3B_tI32_82_3g_g v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_CrFe__TE_814833749288_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_FeNb__TE_600985581585_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_FeNi__TE_348962041508_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A3B_tP4_123_ae_c_FePt__TE_538178294587_002 Equilibrium crystal structure and energy for FePt in AFLOW crystal prototype A3B_tP4_123_ae_c v002
EquilibriumCrystalStructure_A3BC2_oP24_60_ad_c_d_AlFeSi__TE_515002025218_001 Equilibrium crystal structure and energy for AlFeSi in AFLOW crystal prototype A3BC2_oP24_60_ad_c_d v001
EquilibriumCrystalStructure_A4B5_oC36_63_acf_c2f_FeO__TE_315981163327_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A4B5_oC36_63_acf_c2f v002
EquilibriumCrystalStructure_A4B_cP5_221_ac_b_FeN__TE_628593062496_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A4B_cP5_221_ac_b v002
EquilibriumCrystalStructure_A4B_tP5_123_ace_b_FeP__TE_241725694787_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A4B_tP5_123_ace_b v002
EquilibriumCrystalStructure_A5B11_tP16_123_aef_bcdr_CoFe__TE_198373319240_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype A5B11_tP16_123_aef_bcdr v002
EquilibriumCrystalStructure_A5B3_cI64_230_ac_d_FeSi__TE_123690111399_002 Equilibrium crystal structure and energy for FeSi in AFLOW crystal prototype A5B3_cI64_230_ac_d v002
EquilibriumCrystalStructure_A5B3_hP16_193_dg_g_FeSi__TE_046955654259_002 Equilibrium crystal structure and energy for FeSi in AFLOW crystal prototype A5B3_hP16_193_dg_g v002
EquilibriumCrystalStructure_A5B3_oC32_63_ceg_cg_FeSi__TE_516682760418_002 Equilibrium crystal structure and energy for FeSi in AFLOW crystal prototype A5B3_oC32_63_ceg_cg v002
EquilibriumCrystalStructure_A5BC8_hP28_186_2bc_a_ab2c_FeHO__TE_031963300073_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype A5BC8_hP28_186_2bc_a_ab2c v001
EquilibriumCrystalStructure_A6B23_cF116_225_e_acfh_CFe__TE_235496680415_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A6B23_cF116_225_e_acfh v002
EquilibriumCrystalStructure_A6B_oC28_63_efg_c_AlFe__TE_509369975681_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype A6B_oC28_63_efg_c v002
EquilibriumCrystalStructure_A7B2C_tP40_128_egi_h_e_AlCuFe__TE_032013091685_001 Equilibrium crystal structure and energy for AlCuFe in AFLOW crystal prototype A7B2C_tP40_128_egi_h_e v001
EquilibriumCrystalStructure_A7B6_hR13_166_ah_3c_FeNb__TE_364514006375_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A7B6_hR13_166_ah_3c v002
EquilibriumCrystalStructure_A7B6_hR13_166_ah_3c_FeW__TE_023967296008_002 Equilibrium crystal structure and energy for FeW in AFLOW crystal prototype A7B6_hR13_166_ah_3c v002
EquilibriumCrystalStructure_A7B9_cP16_221_acd_bg_CoFe__TE_543871336384_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype A7B9_cP16_221_acd_bg v002
EquilibriumCrystalStructure_A8B5_cI52_217_cg_ce_AlFe__TE_747680491513_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype A8B5_cI52_217_cg_ce v002
EquilibriumCrystalStructure_A8B_tI18_139_deh_a_FeN__TE_022399204167_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A8B_tI18_139_deh_a v002
EquilibriumCrystalStructure_A8BC3D6_hP18_189_agh_b_f_i_AlFeMgSi__TE_988195642596_001 Equilibrium crystal structure and energy for AlFeMgSi in AFLOW crystal prototype A8BC3D6_hP18_189_agh_b_f_i v001
EquilibriumCrystalStructure_A9B2_aP22_1_18a_4a_AlFe__TE_410668217719_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype A9B2_aP22_1_18a_4a v002
EquilibriumCrystalStructure_A9BC3D5_hP18_189_fi_a_g_bh_AlFeMgSi__TE_381199609772_001 Equilibrium crystal structure and energy for AlFeMgSi in AFLOW crystal prototype A9BC3D5_hP18_189_fi_a_g_bh v001
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_tP1_123_a_Fe__TE_071333639833_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP1_123_a v002
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v002
EquilibriumCrystalStructure_AB15_cP16_221_a_bcdg_CoFe__TE_402715824655_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype AB15_cP16_221_a_bcdg v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_AlFe__TE_380424075406_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_CrFe__TE_870783480554_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_FeNb__TE_249837817281_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_FeNi__TE_783111605617_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_cF96_227_e_cf_FeTi__TE_245138736039_002 Equilibrium crystal structure and energy for FeTi in AFLOW crystal prototype AB2_cF96_227_e_cf v002
EquilibriumCrystalStructure_AB2_hP3_191_a_c_CFe__TE_367814881802_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB2_hP3_191_a_c v002
EquilibriumCrystalStructure_AB2_oC48_64_df_2g_FeSi__TE_690273751293_002 Equilibrium crystal structure and energy for FeSi in AFLOW crystal prototype AB2_oC48_64_df_2g v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CFe__TE_506914307810_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_oP6_58_a_g_CFe__TE_778239902285_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB2_oP6_58_a_g v002
EquilibriumCrystalStructure_AB2_oP6_58_a_g_FeP__TE_379666223170_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB2_oP6_58_a_g v002
EquilibriumCrystalStructure_AB2_tP3_123_a_h_FeSi__TE_370841017275_002 Equilibrium crystal structure and energy for FeSi in AFLOW crystal prototype AB2_tP3_123_a_h v002
EquilibriumCrystalStructure_AB2C_cF16_225_a_c_b_AlCoFe__TE_359735035977_001 Equilibrium crystal structure and energy for AlCoFe in AFLOW crystal prototype AB2C_cF16_225_a_c_b v001
EquilibriumCrystalStructure_AB2C_cF16_225_a_c_b_AlFeNi__TE_465314266097_001 Equilibrium crystal structure and energy for AlFeNi in AFLOW crystal prototype AB2C_cF16_225_a_c_b v001
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlFe__TE_107175838709_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CrFe__TE_440179682965_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_FeNb__TE_150748124863_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_FeNi__TE_094501326126_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_CrFe__TE_683151127764_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_FeNb__TE_000602085328_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_FeNi__TE_015160752409_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_FePd__TE_219701712697_002 Equilibrium crystal structure and energy for FePd in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_FePt__TE_324764905073_002 Equilibrium crystal structure and energy for FePt in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP8_223_a_c_FeH__TE_901491871649_002 Equilibrium crystal structure and energy for FeH in AFLOW crystal prototype AB3_cP8_223_a_c v002
EquilibriumCrystalStructure_AB3_cP8_223_a_c_FeV__TE_911418672137_002 Equilibrium crystal structure and energy for FeV in AFLOW crystal prototype AB3_cP8_223_a_c v002
EquilibriumCrystalStructure_AB3_hP8_182_c_g_CFe__TE_186156226219_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB3_hP8_182_c_g v002
EquilibriumCrystalStructure_AB3_oP16_62_c_cd_CFe__TE_078199387205_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB3_oP16_62_c_cd v002
EquilibriumCrystalStructure_AB3_tI32_82_g_3g_CFe__TE_936458080996_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB3_tI32_82_g_3g v002
EquilibriumCrystalStructure_AB3_tI8_139_a_bd_FeNb__TE_605646897502_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype AB3_tI8_139_a_bd v002
EquilibriumCrystalStructure_AB3_tI8_139_a_bd_FeNi__TE_384717191162_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_tI8_139_a_bd v002
EquilibriumCrystalStructure_AB3_tP4_123_a_ce_CoFe__TE_080436668216_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype AB3_tP4_123_a_ce v002
EquilibriumCrystalStructure_AB4_cP5_215_a_e_CFe__TE_137930202757_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB4_cP5_215_a_e v002
EquilibriumCrystalStructure_AB4_mC40_15_ae_4f_FeP__TE_073917372558_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB4_mC40_15_ae_4f v002
EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB4_mP10_11_e_4e v002
EquilibriumCrystalStructure_AB4_mP30_14_ae_6e_FeP__TE_454464262542_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB4_mP30_14_ae_6e v002
EquilibriumCrystalStructure_AB4_oC20_20_a_2c_FeP__TE_159974411103_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB4_oC20_20_a_2c v002
EquilibriumCrystalStructure_AB4_tI10_87_a_h_CFe__TE_117939715366_002 Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB4_tI10_87_a_h v002
EquilibriumCrystalStructure_AB7_cI16_229_a_bc_CoFe__TE_671200625406_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype AB7_cI16_229_a_bc v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_FeN__TE_744892201814_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FeH__TE_074490182077_002 Equilibrium crystal structure and energy for FeH in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FeN__TE_155825592725_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FeO__TE_022630335531_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlFe__TE_777450969159_002 Equilibrium crystal structure and energy for AlFe in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoFe__TE_727239786157_002 Equilibrium crystal structure and energy for CoFe in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_FeTi__TE_410256459812_002 Equilibrium crystal structure and energy for FeTi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_FeV__TE_000966195463_002 Equilibrium crystal structure and energy for FeV in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP8_198_a_a_FeSi__TE_216998841191_002 Equilibrium crystal structure and energy for FeSi in AFLOW crystal prototype AB_cP8_198_a_a v002
EquilibriumCrystalStructure_AB_hR2_166_a_b_FeO__TE_077620417128_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype AB_hR2_166_a_b v002
EquilibriumCrystalStructure_AB_oP8_62_c_c_FeP__TE_391353814247_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB_oP8_62_c_c v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_FeNi__TE_136568412116_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_FePd__TE_548016826394_002 Equilibrium crystal structure and energy for FePd in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_FePt__TE_220750595174_002 Equilibrium crystal structure and energy for FePt in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_ABC2_cF16_225_a_b_c_AlCrFe__TE_631377060965_001 Equilibrium crystal structure and energy for AlCrFe in AFLOW crystal prototype ABC2_cF16_225_a_b_c v001
EquilibriumCrystalStructure_ABC2_oC16_36_a_a_2a_FeHO__TE_247577691165_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype ABC2_oC16_36_a_a_2a v001
EquilibriumCrystalStructure_ABC2_oC16_63_c_a_2c_FeHO__TE_383990463305_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype ABC2_oC16_63_c_a_2c v001
EquilibriumCrystalStructure_ABC2_oC16_63_c_c_2c_FeHO__TE_193918555105_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype ABC2_oC16_63_c_c_2c v001
EquilibriumCrystalStructure_ABC2_oP16_59_e_e_2e_FeHO__TE_509571419165_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype ABC2_oP16_59_e_e_2e v001
EquilibriumCrystalStructure_ABC2_tI32_87_h_h_2h_FeHO__TE_273268678018_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype ABC2_tI32_87_h_h_2h v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Iron__TE_484833569828_000 Unconstrained equilibrium crystal structure and energy of Iron expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Iron_Oxide__TE_213961911992_000 Unconstrained equilibrium crystal structure and energy of Iron Oxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Fe__TE_175540441720_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Fe v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc110_Fe__TE_558145380113_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in bcc Fe v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc111_Fe__TE_752424681735_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in bcc Fe v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc112_Fe__TE_187984704771_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in bcc Fe v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Fe__TE_814353485766_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Fe v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Fe v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Fe__TE_989116099275_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Fe v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Fe__TE_317621478872_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Fe v001
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_007 Equilibrium zero-temperature lattice constant for bcc Fe v007
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_007 Equilibrium zero-temperature lattice constant for diamond Fe v007
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_007 Equilibrium zero-temperature lattice constant for fcc Fe v007
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_007 Equilibrium zero-temperature lattice constant for sc Fe v007
LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_005 Equilibrium lattice constants for hcp Fe v005
LinearThermalExpansionCoeff_bcc_Fe__TE_506786620750_002 Linear thermal expansion coefficient of bcc Fe at 293.15 K under a pressure of 0 MPa v002
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Fe__TE_493894422725_004 Broken-bond fit of high-symmetry surface energies in bcc Fe v004
VacancyFormationEnergyRelaxationVolume_bcc_Fe__TE_453995604594_001 Monovacancy formation energy and relaxation volume for bcc Fe
VacancyFormationMigration_bcc_Fe__TE_424131500075_001 Vacancy formation and migration energy for bcc Fe
Fm
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Fm__TE_237326928145_004 Cohesive energy versus lattice constant curve for bcc Fm v004
CohesiveEnergyVsLatticeConstant_diamond_Fm__TE_171055934280_004 Cohesive energy versus lattice constant curve for diamond Fm v004
CohesiveEnergyVsLatticeConstant_fcc_Fm__TE_750644362100_004 Cohesive energy versus lattice constant curve for fcc Fm v004
CohesiveEnergyVsLatticeConstant_sc_Fm__TE_105096020692_004 Cohesive energy versus lattice constant curve for sc Fm v004
ElasticConstantsCubic_bcc_Fm__TE_130874691461_006 Elastic constants for bcc Fm at zero temperature v006
ElasticConstantsCubic_diamond_Fm__TE_266801543149_001 Elastic constants for diamond Fm at zero temperature v001
ElasticConstantsCubic_fcc_Fm__TE_666468176999_006 Elastic constants for fcc Fm at zero temperature v006
ElasticConstantsCubic_sc_Fm__TE_296483990283_006 Elastic constants for sc Fm at zero temperature v006
ElasticConstantsHexagonal_hcp_Fm__TE_473517474005_004 Elastic constants for hcp Fm at zero temperature v004
LatticeConstantCubicEnergy_bcc_Fm__TE_775689943611_007 Equilibrium zero-temperature lattice constant for bcc Fm v007
LatticeConstantCubicEnergy_diamond_Fm__TE_703093517659_007 Equilibrium zero-temperature lattice constant for diamond Fm v007
LatticeConstantCubicEnergy_fcc_Fm__TE_611351627312_007 Equilibrium zero-temperature lattice constant for fcc Fm v007
LatticeConstantCubicEnergy_sc_Fm__TE_484903128137_007 Equilibrium zero-temperature lattice constant for sc Fm v007
LatticeConstantHexagonalEnergy_hcp_Fm__TE_375542441278_005 Equilibrium lattice constants for hcp Fm v005
Fr
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Fr__TE_484986563005_004 Cohesive energy versus lattice constant curve for bcc Fr v004
CohesiveEnergyVsLatticeConstant_diamond_Fr__TE_757821822431_004 Cohesive energy versus lattice constant curve for diamond Fr v004
CohesiveEnergyVsLatticeConstant_fcc_Fr__TE_335844412262_004 Cohesive energy versus lattice constant curve for fcc Fr v004
CohesiveEnergyVsLatticeConstant_sc_Fr__TE_676120724430_004 Cohesive energy versus lattice constant curve for sc Fr v004
ElasticConstantsCubic_bcc_Fr__TE_226366312290_006 Elastic constants for bcc Fr at zero temperature v006
ElasticConstantsCubic_diamond_Fr__TE_275224391720_001 Elastic constants for diamond Fr at zero temperature v001
ElasticConstantsCubic_fcc_Fr__TE_664589394445_006 Elastic constants for fcc Fr at zero temperature v006
ElasticConstantsCubic_sc_Fr__TE_988960946464_006 Elastic constants for sc Fr at zero temperature v006
ElasticConstantsHexagonal_hcp_Fr__TE_612812541774_004 Elastic constants for hcp Fr at zero temperature v004
LatticeConstantCubicEnergy_bcc_Fr__TE_734376318063_007 Equilibrium zero-temperature lattice constant for bcc Fr v007
LatticeConstantCubicEnergy_diamond_Fr__TE_091666407317_007 Equilibrium zero-temperature lattice constant for diamond Fr v007
LatticeConstantCubicEnergy_fcc_Fr__TE_698880690245_007 Equilibrium zero-temperature lattice constant for fcc Fr v007
LatticeConstantCubicEnergy_sc_Fr__TE_903707502542_007 Equilibrium zero-temperature lattice constant for sc Fr v007
LatticeConstantHexagonalEnergy_hcp_Fr__TE_652200043856_005 Equilibrium lattice constants for hcp Fr v005
VacancyFormationEnergyRelaxationVolume_bcc_Fr__TE_410246327918_001 Monovacancy formation energy and relaxation volume for bcc Fr
VacancyFormationMigration_bcc_Fr__TE_477528717572_001 Vacancy formation and migration energy for bcc Fr
Ga
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Ga__TE_182492084623_004 Cohesive energy versus lattice constant curve for bcc Ga v004
CohesiveEnergyVsLatticeConstant_diamond_Ga__TE_467576701504_004 Cohesive energy versus lattice constant curve for diamond Ga v004
CohesiveEnergyVsLatticeConstant_fcc_Ga__TE_634761390998_004 Cohesive energy versus lattice constant curve for fcc Ga v004
CohesiveEnergyVsLatticeConstant_sc_Ga__TE_564447310277_004 Cohesive energy versus lattice constant curve for sc Ga v004
ElasticConstantsCubic_bcc_Ga__TE_243966504616_006 Elastic constants for bcc Ga at zero temperature v006
ElasticConstantsCubic_diamond_Ga__TE_328706405469_001 Elastic constants for diamond Ga at zero temperature v001
ElasticConstantsCubic_fcc_Ga__TE_969656214004_006 Elastic constants for fcc Ga at zero temperature v006
ElasticConstantsCubic_sc_Ga__TE_059461528966_006 Elastic constants for sc Ga at zero temperature v006
ElasticConstantsHexagonal_hcp_Ga__TE_439583872785_004 Elastic constants for hcp Ga at zero temperature v004
EquilibriumCrystalStructure_A_cI12_220_a_Ga__TE_815712438110_002 Equilibrium crystal structure and energy for Ga in AFLOW crystal prototype A_cI12_220_a v002
EquilibriumCrystalStructure_A_hR22_166_ae3h_Ga__TE_204144958172_002 Equilibrium crystal structure and energy for Ga in AFLOW crystal prototype A_hR22_166_ae3h v002
EquilibriumCrystalStructure_A_mC2_12_a_Ga__TE_059539765633_002 Equilibrium crystal structure and energy for Ga in AFLOW crystal prototype A_mC2_12_a v002
EquilibriumCrystalStructure_A_mC4_15_e_Ga__TE_292239804296_002 Equilibrium crystal structure and energy for Ga in AFLOW crystal prototype A_mC4_15_e v002
EquilibriumCrystalStructure_A_oC40_63_2cf3g_Ga__TE_327647699594_002 Equilibrium crystal structure and energy for Ga in AFLOW crystal prototype A_oC40_63_2cf3g v002
EquilibriumCrystalStructure_A_oC4_63_c_Ga__TE_665882314248_002 Equilibrium crystal structure and energy for Ga in AFLOW crystal prototype A_oC4_63_c v002
EquilibriumCrystalStructure_A_oC8_63_g_Ga__TE_394300641788_002 Equilibrium crystal structure and energy for Ga in AFLOW crystal prototype A_oC8_63_g v002
EquilibriumCrystalStructure_A_oC8_64_f_Ga__TE_247384835814_002 Equilibrium crystal structure and energy for Ga in AFLOW crystal prototype A_oC8_64_f v002
EquilibriumCrystalStructure_A_tI2_139_a_Ga__TE_713057851205_002 Equilibrium crystal structure and energy for Ga in AFLOW crystal prototype A_tI2_139_a v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_AsGa__TE_244370801275_002 Equilibrium crystal structure and energy for AsGa in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_GaN__TE_096607870754_002 Equilibrium crystal structure and energy for GaN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_GaN__TE_450546638065_002 Equilibrium crystal structure and energy for GaN in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP16_205_c_c_AsGa__TE_981003351654_002 Equilibrium crystal structure and energy for AsGa in AFLOW crystal prototype AB_cP16_205_c_c v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_AsGa__TE_416745240153_002 Equilibrium crystal structure and energy for AsGa in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_GaN__TE_049005330456_002 Equilibrium crystal structure and energy for GaN in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_b_GaN__TE_436136253652_002 Equilibrium crystal structure and energy for GaN in AFLOW crystal prototype AB_hP4_194_c_b v002
EquilibriumCrystalStructure_AB_oI4_44_a_b_AsGa__TE_799930333340_002 Equilibrium crystal structure and energy for AsGa in AFLOW crystal prototype AB_oI4_44_a_b v002
EquilibriumCrystalStructure_AB_oP2_25_a_b_AsGa__TE_008832248189_002 Equilibrium crystal structure and energy for AsGa in AFLOW crystal prototype AB_oP2_25_a_b v002
LatticeConstantCubicEnergy_bcc_Ga__TE_342334855555_007 Equilibrium zero-temperature lattice constant for bcc Ga v007
LatticeConstantCubicEnergy_diamond_Ga__TE_307469855545_007 Equilibrium zero-temperature lattice constant for diamond Ga v007
LatticeConstantCubicEnergy_fcc_Ga__TE_138022569023_007 Equilibrium zero-temperature lattice constant for fcc Ga v007
LatticeConstantCubicEnergy_sc_Ga__TE_069447814069_007 Equilibrium zero-temperature lattice constant for sc Ga v007
LatticeConstantHexagonalEnergy_hcp_Ga__TE_261082961909_005 Equilibrium lattice constants for hcp Ga v005
Gd
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Gd__TE_306567148938_004 Cohesive energy versus lattice constant curve for bcc Gd v004
CohesiveEnergyVsLatticeConstant_diamond_Gd__TE_878984100260_004 Cohesive energy versus lattice constant curve for diamond Gd v004
CohesiveEnergyVsLatticeConstant_fcc_Gd__TE_153267969763_004 Cohesive energy versus lattice constant curve for fcc Gd v004
CohesiveEnergyVsLatticeConstant_sc_Gd__TE_523827756001_004 Cohesive energy versus lattice constant curve for sc Gd v004
ElasticConstantsCubic_bcc_Gd__TE_206970109815_006 Elastic constants for bcc Gd at zero temperature v006
ElasticConstantsCubic_diamond_Gd__TE_783778104165_001 Elastic constants for diamond Gd at zero temperature v001
ElasticConstantsCubic_fcc_Gd__TE_747986600731_006 Elastic constants for fcc Gd at zero temperature v006
ElasticConstantsCubic_sc_Gd__TE_798413012692_006 Elastic constants for sc Gd at zero temperature v006
ElasticConstantsHexagonal_hcp_Gd__TE_505800298775_004 Elastic constants for hcp Gd at zero temperature v004
LatticeConstantCubicEnergy_bcc_Gd__TE_536389426337_007 Equilibrium zero-temperature lattice constant for bcc Gd v007
LatticeConstantCubicEnergy_diamond_Gd__TE_539323937969_007 Equilibrium zero-temperature lattice constant for diamond Gd v007
LatticeConstantCubicEnergy_fcc_Gd__TE_639515264694_007 Equilibrium zero-temperature lattice constant for fcc Gd v007
LatticeConstantCubicEnergy_sc_Gd__TE_939875630150_007 Equilibrium zero-temperature lattice constant for sc Gd v007
LatticeConstantHexagonalEnergy_hcp_Gd__TE_792305830433_005 Equilibrium lattice constants for hcp Gd v005
Ge
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Ge__TE_191820027696_004 Cohesive energy versus lattice constant curve for bcc Ge v004
CohesiveEnergyVsLatticeConstant_diamond_Ge__TE_414143832840_004 Cohesive energy versus lattice constant curve for diamond Ge v004
CohesiveEnergyVsLatticeConstant_fcc_Ge__TE_517151122985_004 Cohesive energy versus lattice constant curve for fcc Ge v004
CohesiveEnergyVsLatticeConstant_sc_Ge__TE_049879875314_004 Cohesive energy versus lattice constant curve for sc Ge v004
ElasticConstantsCubic_bcc_Ge__TE_059812926646_006 Elastic constants for bcc Ge at zero temperature v006
ElasticConstantsCubic_diamond_Ge__TE_712127171703_001 Elastic constants for diamond Ge at zero temperature v001
ElasticConstantsCubic_fcc_Ge__TE_073750939631_006 Elastic constants for fcc Ge at zero temperature v006
ElasticConstantsCubic_sc_Ge__TE_227379658057_006 Elastic constants for sc Ge at zero temperature v006
ElasticConstantsHexagonal_hcp_Ge__TE_345528070000_004 Elastic constants for hcp Ge at zero temperature v004
EquilibriumCrystalStructure_A_cF136_227_aeg_Ge__TE_174801610813_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_cF136_227_aeg v002
EquilibriumCrystalStructure_A_cF4_225_a_Ge__TE_586779313000_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cF8_227_a_Ge__TE_046062633078_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_cF8_227_a v002
EquilibriumCrystalStructure_A_cI16_206_c_Ge__TE_038519956780_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_cI16_206_c v002
EquilibriumCrystalStructure_A_cI2_229_a_Ge__TE_042320621327_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Ge__TE_101309443810_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_hP4_194_f_Ge__TE_884758738096_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_hP4_194_f v002
EquilibriumCrystalStructure_A_hP8_194_ef_Ge__TE_993010868037_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_hP8_194_ef v002
EquilibriumCrystalStructure_A_hR8_148_cf_Ge__TE_270159045637_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_hR8_148_cf v002
EquilibriumCrystalStructure_A_oC16_64_df_Ge__TE_780749491432_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_oC16_64_df v002
EquilibriumCrystalStructure_A_oI4_74_e_Ge__TE_727155469117_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_oI4_74_e v002
EquilibriumCrystalStructure_A_tI4_141_a_Ge__TE_157298716859_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_tI4_141_a v002
EquilibriumCrystalStructure_A_tP12_96_ab_Ge__TE_581349021949_002 Equilibrium crystal structure and energy for Ge in AFLOW crystal prototype A_tP12_96_ab v002
LatticeConstantCubicEnergy_bcc_Ge__TE_654884089811_007 Equilibrium zero-temperature lattice constant for bcc Ge v007
LatticeConstantCubicEnergy_diamond_Ge__TE_638920604049_007 Equilibrium zero-temperature lattice constant for diamond Ge v007
LatticeConstantCubicEnergy_fcc_Ge__TE_251971133860_007 Equilibrium zero-temperature lattice constant for fcc Ge v007
LatticeConstantCubicEnergy_sc_Ge__TE_209652167507_007 Equilibrium zero-temperature lattice constant for sc Ge v007
LatticeConstantHexagonalEnergy_hcp_Ge__TE_505233098809_005 Equilibrium lattice constants for hcp Ge v005
LinearThermalExpansionCoeff_diamond_Ge__TE_778011010022_002 Linear thermal expansion coefficient of diamond Ge at 293.15 K under a pressure of 0 MPa v002
VacancyFormationEnergyRelaxationVolume_diamond_Ge__TE_644361879215_001 Monovacancy formation energy and relaxation volume for diamond Ge
VacancyFormationMigration_diamond_Ge__TE_771748688857_001 Vacancy formation and migration energy for diamond Ge
H
Test Title
ElasticConstantsCubic_bcc_H__TE_632848943374_006 Elastic constants for bcc H at zero temperature v006
ElasticConstantsCubic_diamond_H__TE_744263053723_001 Elastic constants for diamond H at zero temperature v001
ElasticConstantsCubic_fcc_H__TE_627409417266_006 Elastic constants for fcc H at zero temperature v006
ElasticConstantsCubic_sc_H__TE_648951261715_006 Elastic constants for sc H at zero temperature v006
ElasticConstantsHexagonal_hcp_H__TE_758877215376_004 Elastic constants for hcp H at zero temperature v004
EquilibriumCrystalStructure_A10B2C8D_aP42_2_10i_2i_8i_i_HNaOSi__TE_562221687527_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A10B2C8D_aP42_2_10i_2i_8i_i v001
EquilibriumCrystalStructure_A12B2C9D_mP48_4_12a_2a_9a_a_HNaOSi__TE_537172192390_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A12B2C9D_mP48_4_12a_2a_9a_a v001
EquilibriumCrystalStructure_A19B34_mP106_4_19a_34a_CH__TE_699147369012_002 Equilibrium crystal structure and energy for CH in AFLOW crystal prototype A19B34_mP106_4_19a_34a v002
EquilibriumCrystalStructure_A2B10C10D_mP92_14_2e_10e_10e_e_CHOV__TE_270910259529_001 Equilibrium crystal structure and energy for CHOV in AFLOW crystal prototype A2B10C10D_mP92_14_2e_10e_10e_e v001
EquilibriumCrystalStructure_A2B10C2D5_oP38_18_c_5c_c_a2c_CHNO__TE_506793158318_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B10C2D5_oP38_18_c_5c_c_a2c v001
EquilibriumCrystalStructure_A2B12C14D_mP58_13_g_6g_7g_e_CHNO__TE_476444307518_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B12C14D_mP58_13_g_6g_7g_e v001
EquilibriumCrystalStructure_A2B2C2D_oP28_62_2c_2c_2c_c_CHNO__TE_282668712810_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B2C2D_oP28_62_2c_2c_2c_c v001
EquilibriumCrystalStructure_A2B2C_oP10_58_g_g_a_HOV__TE_530927508463_001 Equilibrium crystal structure and energy for HOV in AFLOW crystal prototype A2B2C_oP10_58_g_g_a v001
EquilibriumCrystalStructure_A2B2C_oP20_19_2a_2a_a_HOZn__TE_373744919534_001 Equilibrium crystal structure and energy for HOZn in AFLOW crystal prototype A2B2C_oP20_19_2a_2a_a v001
EquilibriumCrystalStructure_A2B3C2_hR28_148_cf_2f_cf_HOSi__TE_807512122826_001 Equilibrium crystal structure and energy for HOSi in AFLOW crystal prototype A2B3C2_hR28_148_cf_2f_cf v001
EquilibriumCrystalStructure_A2B4C6D_oP52_54_f_2f_2c2f_c_CHOV__TE_917387636678_001 Equilibrium crystal structure and energy for CHOV in AFLOW crystal prototype A2B4C6D_oP52_54_f_2f_2c2f_c v001
EquilibriumCrystalStructure_A2B4CD2_mC36_12_2i_2j_g_j_CHNO__TE_242691144298_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B4CD2_mC36_12_2i_2j_g_j v001
EquilibriumCrystalStructure_A2B5_mP56_14_4e_10e_BH__TE_485207544204_002 Equilibrium crystal structure and energy for BH in AFLOW crystal prototype A2B5_mP56_14_4e_10e v002
EquilibriumCrystalStructure_A2B5_tI28_109_2a_ac_CeH__TE_092466217624_001 Equilibrium crystal structure and energy for CeH in AFLOW crystal prototype A2B5_tI28_109_2a_ac v001
EquilibriumCrystalStructure_A2B5C2_mC18_12_i_a2i_i_HOV__TE_404641601029_001 Equilibrium crystal structure and energy for HOV in AFLOW crystal prototype A2B5C2_mC18_12_i_a2i_i v001
EquilibriumCrystalStructure_A2B5CD4_mP48_14_2e_5e_e_4e_CHNO__TE_154149627579_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B5CD4_mP48_14_2e_5e_e_4e v001
EquilibriumCrystalStructure_A2B5CD_hR54_161_2b_5b_b_b_CHNO__TE_288919937723_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B5CD_hR54_161_2b_5b_b_b v001
EquilibriumCrystalStructure_A2B6C4D_mP52_14_2e_6e_4e_e_CHNO__TE_394016799744_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B6C4D_mP52_14_2e_6e_4e_e v001
EquilibriumCrystalStructure_A2B6CD_oP40_59_ef_ef2g_ab_e_CHNO__TE_206186125589_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B6CD_oP40_59_ef_ef2g_ab_e v001
EquilibriumCrystalStructure_A2B7C7D6_aP44_2_2i_7i_7i_6i_CHNO__TE_873344092083_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B7C7D6_aP44_2_2i_7i_7i_6i v001
EquilibriumCrystalStructure_A2B8C2D3_oP60_33_2a_8a_2a_3a_CHNO__TE_013126159028_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C2D3_oP60_33_2a_8a_2a_3a v001
EquilibriumCrystalStructure_A2B8C6D3_mP76_14_2e_8e_6e_3e_CHNO__TE_627320406759_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C6D3_mP76_14_2e_8e_6e_3e v001
EquilibriumCrystalStructure_A2B8C6D7_mC92_15_2e_4f_2e2f_e3f_CHNO__TE_215701241474_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C6D7_mC92_15_2e_4f_2e2f_e3f v001
EquilibriumCrystalStructure_A2B8C_oP88_19_4a_16a_2a_BHN__TE_317613411116_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype A2B8C_oP88_19_4a_16a_2a v001
EquilibriumCrystalStructure_A2B9C11D8_mC120_15_f_e4f_e5f_4f_CHNO__TE_357033213726_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C11D8_mC120_15_f_e4f_e5f_4f v001
EquilibriumCrystalStructure_A2B9C3D3_oP68_33_2a_9a_3a_3a_CHNO__TE_165371576078_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C3D3_oP68_33_2a_9a_3a_3a v001
EquilibriumCrystalStructure_A2B9C7D6_oP96_29_2a_9a_7a_6a_CHNO__TE_636090065077_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C7D6_oP96_29_2a_9a_7a_6a v001
EquilibriumCrystalStructure_A2B9C9D6_aP52_2_2i_9i_9i_6i_CHNO__TE_850841302444_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C9D6_aP52_2_2i_9i_9i_6i v001
EquilibriumCrystalStructure_A2B_aP36_1_24a_12a_HO__TE_039698254090_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_aP36_1_24a_12a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_HMg__TE_125038213496_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_HV__TE_198035434509_002 Equilibrium crystal structure and energy for HV in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_HZr__TE_094337815442_002 Equilibrium crystal structure and energy for HZr in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cP12_205_c_a_HMg__TE_736733720126_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_cP12_205_c_a v002
EquilibriumCrystalStructure_A2B_hP36_185_2cd_2c_HO__TE_532072794625_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_hP36_185_2cd_2c v002
EquilibriumCrystalStructure_A2B_mP12_4_4a_2a_HO__TE_477223945963_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_mP12_4_4a_2a v002
EquilibriumCrystalStructure_A2B_mP36_4_12a_6a_HO__TE_485558827238_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_mP36_4_12a_6a v002
EquilibriumCrystalStructure_A2B_oI48_72_cdefg_k_HO__TE_519646948621_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_oI48_72_cdefg_k v002
EquilibriumCrystalStructure_A2B_oP12_60_d_c_HMg__TE_336606188735_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_oP12_60_d_c v002
EquilibriumCrystalStructure_A2B_oP12_62_2c_c_HMg__TE_978552155803_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_oP12_62_2c_c v002
EquilibriumCrystalStructure_A2B_oP12_62_2c_c_HW__TE_093741795213_002 Equilibrium crystal structure and energy for HW in AFLOW crystal prototype A2B_oP12_62_2c_c v002
EquilibriumCrystalStructure_A2B_oP24_61_2c_c_HMg__TE_190738167179_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_oP24_61_2c_c v002
EquilibriumCrystalStructure_A2B_oP36_19_6a_3a_HO__TE_357941691185_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_oP36_19_6a_3a v002
EquilibriumCrystalStructure_A2B_tI6_139_d_a_HZr__TE_503685164914_002 Equilibrium crystal structure and energy for HZr in AFLOW crystal prototype A2B_tI6_139_d_a v002
EquilibriumCrystalStructure_A2B_tP36_92_3b_ab_HO__TE_668914490960_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_tP36_92_3b_ab v002
EquilibriumCrystalStructure_A2B_tP6_136_f_a_HMg__TE_449336517611_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_tP6_136_f_a v002
EquilibriumCrystalStructure_A2BC2_mP20_11_4e_2e_4e_CHO__TE_964651700599_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype A2BC2_mP20_11_4e_2e_4e v001
EquilibriumCrystalStructure_A2BC3_oC24_36_b_a_ab_CHN__TE_407680374282_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype A2BC3_oC24_36_b_a_ab v001
EquilibriumCrystalStructure_A3B12C_oC64_63_cf_2f2gh_c_BHN__TE_174394553193_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype A3B12C_oC64_63_cf_2f2gh_c v001
EquilibriumCrystalStructure_A3B20C4D10_oF148_42_ac_2c4e_e_2a4c_CHNO__TE_503683569064_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B20C4D10_oF148_42_ac_2c4e_e_2a4c v001
EquilibriumCrystalStructure_A3B2C4_tP36_76_3a_2a_4a_CHO__TE_365702407604_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype A3B2C4_tP36_76_3a_2a_4a v001
EquilibriumCrystalStructure_A3B3C5D_mP48_14_3e_3e_5e_e_HNaOSi__TE_281534361743_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A3B3C5D_mP48_14_3e_3e_5e_e v001
EquilibriumCrystalStructure_A3B3C_oP56_33_6a_6a_2a_HOP__TE_631115854271_001 Equilibrium crystal structure and energy for HOP in AFLOW crystal prototype A3B3C_oP56_33_6a_6a_2a v001
EquilibriumCrystalStructure_A3B4C_mP32_14_3e_4e_e_HOP__TE_641887400425_001 Equilibrium crystal structure and energy for HOP in AFLOW crystal prototype A3B4C_mP32_14_3e_4e_e v001
EquilibriumCrystalStructure_A3B5_oC64_36_2a2b_2a4b_BH__TE_282635454860_002 Equilibrium crystal structure and energy for BH in AFLOW crystal prototype A3B5_oC64_36_2a2b_2a4b v002
EquilibriumCrystalStructure_A3B5C5D_mP56_14_3e_5e_5e_e_CHNO__TE_673582892737_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B5C5D_mP56_14_3e_5e_5e_e v001
EquilibriumCrystalStructure_A3B6C2D2_mP52_14_3e_6e_2e_2e_CHNO__TE_774790584207_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B6C2D2_mP52_14_3e_6e_2e_2e v001
EquilibriumCrystalStructure_A3B6C4D3_mC128_15_3f_6f_4f_3f_CHNO__TE_406261794933_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B6C4D3_mC128_15_3f_6f_4f_3f v001
EquilibriumCrystalStructure_A3B7C3D5_mC72_15_ef_e3f_ef_e2f_CHNO__TE_338644039739_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B7C3D5_mC72_15_ef_e3f_ef_e2f v001
EquilibriumCrystalStructure_A3B8C2_mP52_14_3e_8e_2e_CHO__TE_885859046696_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype A3B8C2_mP52_14_3e_8e_2e v001
EquilibriumCrystalStructure_A3B8C2D_aP56_2_6i_16i_4i_2i_CHNO__TE_118359337130_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B8C2D_aP56_2_6i_16i_4i_2i v001
EquilibriumCrystalStructure_A3B8C3D3_mP68_14_3e_8e_3e_3e_CHNO__TE_931378353295_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B8C3D3_mP68_14_3e_8e_3e_3e v001
EquilibriumCrystalStructure_A3B9C3D2_oP68_19_3a_9a_3a_2a_CHNO__TE_084777715347_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B9C3D2_oP68_19_3a_9a_3a_2a v001
EquilibriumCrystalStructure_A3B9C_oP104_62_2c2d_2c8d_2c_CHP__TE_256955794590_001 Equilibrium crystal structure and energy for CHP in AFLOW crystal prototype A3B9C_oP104_62_2c2d_2c8d_2c v001
EquilibriumCrystalStructure_A3B_cP16_198_b_a_HN__TE_885819825464_002 Equilibrium crystal structure and energy for HN in AFLOW crystal prototype A3B_cP16_198_b_a v002
EquilibriumCrystalStructure_A3B_cP16_208_i_c_HP__TE_876148809030_002 Equilibrium crystal structure and energy for HP in AFLOW crystal prototype A3B_cP16_208_i_c v002
EquilibriumCrystalStructure_A3B_mP8_11_3e_e_HW__TE_200756398713_002 Equilibrium crystal structure and energy for HW in AFLOW crystal prototype A3B_mP8_11_3e_e v002
EquilibriumCrystalStructure_A3BC2_oP48_61_3c_c_2c_HNaO__TE_943186678014_001 Equilibrium crystal structure and energy for HNaO in AFLOW crystal prototype A3BC2_oP48_61_3c_c_2c v001
EquilibriumCrystalStructure_A3BC6D2_oF192_43_3b_b_6b_2b_HNaOSi__TE_621260419910_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A3BC6D2_oF192_43_3b_b_6b_2b v001
EquilibriumCrystalStructure_A4B11CD10_aP52_2_4i_11i_i_10i_CHNO__TE_395540322167_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A4B11CD10_aP52_2_4i_11i_i_10i v001
EquilibriumCrystalStructure_A4B12C3D2_mC84_15_2f_6f_ef_f_CHOP__TE_967232307535_001 Equilibrium crystal structure and energy for CHOP in AFLOW crystal prototype A4B12C3D2_mC84_15_2f_6f_ef_f v001
EquilibriumCrystalStructure_A4B2C11D3_oC160_40_2a2b2c_2bc_2b10c_3c_CaHOSi__TE_289163277807_001 Equilibrium crystal structure and energy for CaHOSi in AFLOW crystal prototype A4B2C11D3_oC160_40_2a2b2c_2bc_2b10c_3c v001
EquilibriumCrystalStructure_A4B2C3_oP18_59_ef_ab_ae_HNO__TE_231215089601_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A4B2C3_oP18_59_ef_ab_ae v001
EquilibriumCrystalStructure_A4B2C3_oP72_56_4e_cde_cd2e_HNO__TE_634519444021_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A4B2C3_oP72_56_4e_cde_cd2e v001
EquilibriumCrystalStructure_A4B2C3_tP72_77_8d_ab2c2d_6d_HNO__TE_743337691628_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A4B2C3_tP72_77_8d_ab2c2d_6d v001
EquilibriumCrystalStructure_A4B8C5_tI34_82_g_2g_ag_ClHSi__TE_884712502589_001 Equilibrium crystal structure and energy for ClHSi in AFLOW crystal prototype A4B8C5_tI34_82_g_2g_ag v001
EquilibriumCrystalStructure_A4B9CD4_mP72_14_4e_9e_e_4e_CHNO__TE_864918904302_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A4B9CD4_mP72_14_4e_9e_e_4e v001
EquilibriumCrystalStructure_A4B_mP20_14_4e_e_HSi__TE_866904548748_002 Equilibrium crystal structure and energy for HSi in AFLOW crystal prototype A4B_mP20_14_4e_e v002
EquilibriumCrystalStructure_A5B12C2D_oP40_31_3ab_2a5b_2a_a_CHNO__TE_551930342530_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A5B12C2D_oP40_31_3ab_2a5b_2a_a v001
EquilibriumCrystalStructure_A5B12CD12_oC120_41_a2b_6b_a_6b_BHNO__TE_911641730288_001 Equilibrium crystal structure and energy for BHNO in AFLOW crystal prototype A5B12CD12_oC120_41_a2b_6b_a_6b v001
EquilibriumCrystalStructure_A5B14C2D2_mP92_14_5e_14e_2e_2e_CHNO__TE_506166234426_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A5B14C2D2_mP92_14_5e_14e_2e_2e v001
EquilibriumCrystalStructure_A5B3C3_mP44_14_5e_3e_3e_HNO__TE_905260947825_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A5B3C3_mP44_14_5e_3e_3e v001
EquilibriumCrystalStructure_A5B9_tI28_107_ad_acd_BH__TE_188062493046_002 Equilibrium crystal structure and energy for BH in AFLOW crystal prototype A5B9_tI28_107_ad_acd v002
EquilibriumCrystalStructure_A5B_oP12_28_c2d_c_HW__TE_128899805779_002 Equilibrium crystal structure and energy for HW in AFLOW crystal prototype A5B_oP12_28_c2d_c v002
EquilibriumCrystalStructure_A5B_oP12_51_eij_f_HW__TE_865038244767_002 Equilibrium crystal structure and energy for HW in AFLOW crystal prototype A5B_oP12_51_eij_f v002
EquilibriumCrystalStructure_A5BC2_mP32_14_5e_e_2e_HNO__TE_651103944789_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A5BC2_mP32_14_5e_e_2e v001
EquilibriumCrystalStructure_A5BC8_hP28_186_2bc_a_ab2c_FeHO__TE_031963300073_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype A5BC8_hP28_186_2bc_a_ab2c v001
EquilibriumCrystalStructure_A6B10C_cF136_202_h_fh_c_BHN__TE_087692125717_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype A6B10C_cF136_202_h_fh_c v001
EquilibriumCrystalStructure_A6B2C13D3_aP48_2_6i_2i_13i_3i_CaHOSi__TE_807740564377_001 Equilibrium crystal structure and energy for CaHOSi in AFLOW crystal prototype A6B2C13D3_aP48_2_6i_2i_13i_3i v001
EquilibriumCrystalStructure_A6B6C13D2_hP54_143_4d_4d_ab8d_2a2b_CaHOSi__TE_132655582111_001 Equilibrium crystal structure and energy for CaHOSi in AFLOW crystal prototype A6B6C13D2_hP54_143_4d_4d_ab8d_2a2b v001
EquilibriumCrystalStructure_A6B_mC28_12_6i_i_HW__TE_174024056843_002 Equilibrium crystal structure and energy for HW in AFLOW crystal prototype A6B_mC28_12_6i_i v002
EquilibriumCrystalStructure_A6BC2_oP36_19_6a_a_2a_HOSi__TE_357344322809_001 Equilibrium crystal structure and energy for HOSi in AFLOW crystal prototype A6BC2_oP36_19_6a_a_2a v001
EquilibriumCrystalStructure_A7BC6_oP56_19_7a_a_6a_HNO__TE_901381739573_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A7BC6_oP56_19_7a_a_6a v001
EquilibriumCrystalStructure_A8B9CD9_mC216_15_8f_9f_f_9f_CHNO__TE_289332527496_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A8B9CD9_mC216_15_8f_9f_f_9f v001
EquilibriumCrystalStructure_A8B_oP18_31_6ab_a_HSi__TE_371720382981_002 Equilibrium crystal structure and energy for HSi in AFLOW crystal prototype A8B_oP18_31_6ab_a v002
EquilibriumCrystalStructure_A8B_tI18_119_efi_a_HSi__TE_249777821697_002 Equilibrium crystal structure and energy for HSi in AFLOW crystal prototype A8B_tI18_119_efi_a v002
EquilibriumCrystalStructure_A_cI2_229_a_H__TE_510859954199_002 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP2_194_c_H__TE_650445959228_002 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_hP4_194_f_H__TE_167800730104_002 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_hP4_194_f v002
EquilibriumCrystalStructure_A_tP1_123_a_H__TE_036865961240_002 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_tP1_123_a v002
EquilibriumCrystalStructure_AB13C6_oP80_57_c_d6e_2d2e_ClHO__TE_261164767440_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB13C6_oP80_57_c_d6e_2d2e v001
EquilibriumCrystalStructure_AB2_cF12_225_a_c_CeH__TE_289157533677_001 Equilibrium crystal structure and energy for CeH in AFLOW crystal prototype AB2_cF12_225_a_c v001
EquilibriumCrystalStructure_AB2_hP6_194_c_ad_CaH__TE_378692788727_002 Equilibrium crystal structure and energy for CaH in AFLOW crystal prototype AB2_hP6_194_c_ad v002
EquilibriumCrystalStructure_AB2_mC6_12_a_i_HV__TE_662802504332_002 Equilibrium crystal structure and energy for HV in AFLOW crystal prototype AB2_mC6_12_a_i v002
EquilibriumCrystalStructure_AB2_mC6_8_a_2a_HNi__TE_731079597081_002 Equilibrium crystal structure and energy for HNi in AFLOW crystal prototype AB2_mC6_8_a_2a v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CaH__TE_229736593939_002 Equilibrium crystal structure and energy for CaH in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_tI24_141_c_h_HV__TE_419102803372_002 Equilibrium crystal structure and energy for HV in AFLOW crystal prototype AB2_tI24_141_c_h v002
EquilibriumCrystalStructure_AB2C2_hP5_164_a_d_d_CaHO__TE_608425428744_001 Equilibrium crystal structure and energy for CaHO in AFLOW crystal prototype AB2C2_hP5_164_a_d_d v001
EquilibriumCrystalStructure_AB2C2_mP40_14_2e_4e_4e_CHN__TE_076123224219_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB2C2_mP40_14_2e_4e_4e v001
EquilibriumCrystalStructure_AB2C2_oP20_33_a_2a_2a_CHO__TE_371626440832_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB2C2_oP20_33_a_2a_2a v001
EquilibriumCrystalStructure_AB2C2_oP40_61_c_2c_2c_CHN__TE_553221252520_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB2C2_oP40_61_c_2c_2c v001
EquilibriumCrystalStructure_AB2C2D2_oP56_19_2a_4a_4a_4a_CHNO__TE_338276194972_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB2C2D2_oP56_19_2a_4a_4a_4a v001
EquilibriumCrystalStructure_AB2C_hR24_161_b_2b_b_CHO__TE_881757295807_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB2C_hR24_161_b_2b_b v001
EquilibriumCrystalStructure_AB2C_oP80_60_c2d_5d_c2d_CHO__TE_779437097902_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB2C_oP80_60_c2d_5d_c2d v001
EquilibriumCrystalStructure_AB2C_tP48_96_ab_2a2b_ab_BHN__TE_781335410572_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB2C_tP48_96_ab_2a2b_ab v001
EquilibriumCrystalStructure_AB2CD5_mC72_15_f_2f_ae_5f_ClHNaO__TE_634972925551_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB2CD5_mC72_15_f_2f_ae_5f v001
EquilibriumCrystalStructure_AB3_aP16_2_2i_6i_BH__TE_304661383536_002 Equilibrium crystal structure and energy for BH in AFLOW crystal prototype AB3_aP16_2_2i_6i v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CeH__TE_002771109088_001 Equilibrium crystal structure and energy for CeH in AFLOW crystal prototype AB3_cF16_225_a_bc v001
EquilibriumCrystalStructure_AB3_cF64_227_c_f_AlH__TE_367093812813_002 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_cF64_227_c_f v002
EquilibriumCrystalStructure_AB3_cP8_223_a_c_FeH__TE_901491871649_002 Equilibrium crystal structure and energy for FeH in AFLOW crystal prototype AB3_cP8_223_a_c v002
EquilibriumCrystalStructure_AB3_hR8_167_b_e_AlH__TE_559823445456_002 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_hR8_167_b_e v002
EquilibriumCrystalStructure_AB3_mC64_9_4a_12a_HN__TE_448824373383_002 Equilibrium crystal structure and energy for HN in AFLOW crystal prototype AB3_mC64_9_4a_12a v002
EquilibriumCrystalStructure_AB3_mP16_14_e_3e_BH__TE_347153396188_002 Equilibrium crystal structure and energy for BH in AFLOW crystal prototype AB3_mP16_14_e_3e v002
EquilibriumCrystalStructure_AB3_oC48_63_ad_cfgh_AlH__TE_669442227099_002 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_oC48_63_ad_cfgh v002
EquilibriumCrystalStructure_AB3_oP24_58_ag_c2gh_AlH__TE_830246339695_002 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_oP24_58_ag_c2gh v002
EquilibriumCrystalStructure_AB3C14D7_aP50_2_i_3i_14i_7i_CeClHO__TE_756475321899_001 Equilibrium crystal structure and energy for CeClHO in AFLOW crystal prototype AB3C14D7_aP50_2_i_3i_14i_7i v001
EquilibriumCrystalStructure_AB3C3_aP28_2_2i_6i_6i_BHO__TE_938329390621_001 Equilibrium crystal structure and energy for BHO in AFLOW crystal prototype AB3C3_aP28_2_2i_6i_6i v001
EquilibriumCrystalStructure_AB3C3_hP42_145_2a_6a_6a_BHO__TE_023293611926_001 Equilibrium crystal structure and energy for BHO in AFLOW crystal prototype AB3C3_hP42_145_2a_6a_6a v001
EquilibriumCrystalStructure_AB3C3_mP28_14_e_3e_3e_CHO__TE_821199289770_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB3C3_mP28_14_e_3e_3e v001
EquilibriumCrystalStructure_AB3C5_mP36_14_e_3e_5e_ClHO__TE_826322730524_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB3C5_mP36_14_e_3e_5e v001
EquilibriumCrystalStructure_AB3C5_oP36_62_c_cd_3cd_ClHO__TE_049191346743_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB3C5_oP36_62_c_cd_3cd v001
EquilibriumCrystalStructure_AB3C5D4_oP52_19_a_3a_5a_4a_CHNO__TE_352466489099_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB3C5D4_oP52_19_a_3a_5a_4a v001
EquilibriumCrystalStructure_AB4C2D_oC192_20_ab2c_12c_6c_ab2c_CHNO__TE_968090106964_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_oC192_20_ab2c_12c_6c_ab2c v001
EquilibriumCrystalStructure_AB4C2D_tP16_113_c_2e_e_c_CHNO__TE_344852579451_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_tP16_113_c_2e_e_c v001
EquilibriumCrystalStructure_AB4C2D_tP16_129_c_i_ac_c_CHNO__TE_083725332170_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_tP16_129_c_i_ac_c v001
EquilibriumCrystalStructure_AB4C4D2_aP44_2_2i_8i_8i_4i_CHNO__TE_869588863154_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C4D2_aP44_2_2i_8i_8i_4i v001
EquilibriumCrystalStructure_AB4C4D2_oF176_43_b_4b_4b_2b_CHNO__TE_181110374300_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C4D2_oF176_43_b_4b_4b_2b v001
EquilibriumCrystalStructure_AB4CD2_mP32_14_e_4e_e_2e_ClHNaO__TE_122196567708_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB4CD2_mP32_14_e_4e_e_2e v001
EquilibriumCrystalStructure_AB4CD6_aP24_2_i_4i_i_6i_ClHNaO__TE_599690820260_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB4CD6_aP24_2_i_4i_i_6i v001
EquilibriumCrystalStructure_AB5C2_mP32_14_e_5e_2e_ClHO__TE_921532558036_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB5C2_mP32_14_e_5e_2e v001
EquilibriumCrystalStructure_AB5C3_oP36_19_a_5a_3a_CHN__TE_163746595328_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB5C3_oP36_19_a_5a_3a v001
EquilibriumCrystalStructure_AB5C3D4_mP52_14_e_5e_3e_4e_CHNO__TE_294401506423_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5C3D4_mP52_14_e_5e_3e_4e v001
EquilibriumCrystalStructure_AB5CD2_aP18_1_2a_10a_2a_4a_CHNO__TE_363379580538_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD2_aP18_1_2a_10a_2a_4a v001
EquilibriumCrystalStructure_AB5CD2_mP18_7_a_5a_a_2a_CHNO__TE_307285905143_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD2_mP18_7_a_5a_a_2a v001
EquilibriumCrystalStructure_AB5CD3_oP80_56_e_5e_e_3e_CHNO__TE_197216100796_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD3_oP80_56_e_5e_e_3e v001
EquilibriumCrystalStructure_AB6C2D2_oI88_72_j_2j2k_fj_2j_CHNO__TE_752390158425_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C2D2_oI88_72_j_2j2k_fj_2j v001
EquilibriumCrystalStructure_AB6C4D_mP48_14_e_6e_4e_e_CHNO__TE_499799561878_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C4D_mP48_14_e_6e_4e_e v001
EquilibriumCrystalStructure_AB6C6D4_aP68_2_2i_12i_12i_8i_CHNO__TE_669087067518_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C6D4_aP68_2_2i_12i_12i_8i v001
EquilibriumCrystalStructure_AB6C_mP16_4_a_6a_a_BHN__TE_661342968576_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_mP16_4_a_6a_a v001
EquilibriumCrystalStructure_AB6C_mP32_4_2a_12a_2a_BHN__TE_914282118282_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_mP32_4_2a_12a_2a v001
EquilibriumCrystalStructure_AB6C_oC32_36_a_2a2b_a_BHN__TE_126390875943_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_oC32_36_a_2a2b_a v001
EquilibriumCrystalStructure_AB6C_oP16_31_a_2a2b_a_BHN__TE_793938713686_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_oP16_31_a_2a2b_a v001
EquilibriumCrystalStructure_AB6C_oP32_62_c_2c2d_c_BHN__TE_634585559441_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_oP32_62_c_2c2d_c v001
EquilibriumCrystalStructure_AB6CD5_aP26_2_i_6i_i_5i_ClHNaO__TE_568757875966_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB6CD5_aP26_2_i_6i_i_5i v001
EquilibriumCrystalStructure_AB7C3D3_mP56_14_e_7e_3e_3e_CHNO__TE_256450103888_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB7C3D3_mP56_14_e_7e_3e_3e v001
EquilibriumCrystalStructure_AB8C6_mP60_14_e_8e_6e_CHN__TE_503718685256_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB8C6_mP60_14_e_8e_6e v001
EquilibriumCrystalStructure_AB8C_oP20_28_c_2c3d_a_BHN__TE_319625577364_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB8C_oP20_28_c_2c3d_a v001
EquilibriumCrystalStructure_AB9C7D3_oP80_57_d_3d3e_7d_de_CHNO__TE_995218505073_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB9C7D3_oP80_57_d_3d3e_7d_de v001
EquilibriumCrystalStructure_AB9C9_aP38_2_i_9i_9i_CHN__TE_757463323414_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB9C9_aP38_2_i_9i_9i v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_ClH__TE_161726967235_001 Equilibrium crystal structure and energy for ClH in AFLOW crystal prototype AB_cF8_225_a_b v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_FeH__TE_074490182077_002 Equilibrium crystal structure and energy for FeH in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_HNa__TE_371342992593_001 Equilibrium crystal structure and energy for HNa in AFLOW crystal prototype AB_cF8_225_a_b v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_HNi__TE_937035327194_002 Equilibrium crystal structure and energy for HNi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_HPd__TE_403095182141_002 Equilibrium crystal structure and energy for HPd in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cI16_199_a_a_CH__TE_908627723290_002 Equilibrium crystal structure and energy for CH in AFLOW crystal prototype AB_cI16_199_a_a v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_HNa__TE_408224717390_001 Equilibrium crystal structure and energy for HNa in AFLOW crystal prototype AB_cP2_221_a_b v001
EquilibriumCrystalStructure_AB_hP4_164_d_d_HSi__TE_443946706168_002 Equilibrium crystal structure and energy for HSi in AFLOW crystal prototype AB_hP4_164_d_d v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_CuH__TE_012537377888_002 Equilibrium crystal structure and energy for CuH in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_194_a_c_HW__TE_215283662004_002 Equilibrium crystal structure and energy for HW in AFLOW crystal prototype AB_hP4_194_a_c v002
EquilibriumCrystalStructure_AB_oP32_53_2i_abegh_HN__TE_075606519561_002 Equilibrium crystal structure and energy for HN in AFLOW crystal prototype AB_oP32_53_2i_abegh v002
EquilibriumCrystalStructure_AB_tI4_139_a_b_ClH__TE_802130366465_001 Equilibrium crystal structure and energy for ClH in AFLOW crystal prototype AB_tI4_139_a_b v001
EquilibriumCrystalStructure_AB_tP16_92_b_b_HO__TE_375077695861_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype AB_tP16_92_b_b v002
EquilibriumCrystalStructure_AB_tP4_131_e_c_HZr__TE_210295752005_002 Equilibrium crystal structure and energy for HZr in AFLOW crystal prototype AB_tP4_131_e_c v002
EquilibriumCrystalStructure_ABC2_cP96_218_i_i_2i_BHO__TE_534415799921_001 Equilibrium crystal structure and energy for BHO in AFLOW crystal prototype ABC2_cP96_218_i_i_2i v001
EquilibriumCrystalStructure_ABC2_mP48_14_3e_3e_6e_BHO__TE_843507864926_001 Equilibrium crystal structure and energy for BHO in AFLOW crystal prototype ABC2_mP48_14_3e_3e_6e v001
EquilibriumCrystalStructure_ABC2_oC16_36_a_a_2a_FeHO__TE_247577691165_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype ABC2_oC16_36_a_a_2a v001
EquilibriumCrystalStructure_ABC2_oC16_63_c_a_2c_FeHO__TE_383990463305_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype ABC2_oC16_63_c_a_2c v001
EquilibriumCrystalStructure_ABC2_oC16_63_c_c_2c_FeHO__TE_193918555105_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype ABC2_oC16_63_c_c_2c v001
EquilibriumCrystalStructure_ABC2_oP16_59_e_e_2e_FeHO__TE_509571419165_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype ABC2_oP16_59_e_e_2e v001
EquilibriumCrystalStructure_ABC2_tI32_87_h_h_2h_FeHO__TE_273268678018_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype ABC2_tI32_87_h_h_2h v001
EquilibriumCrystalStructure_ABC_cP12_198_a_a_a_CHN__TE_857785799141_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_cP12_198_a_a_a v001
EquilibriumCrystalStructure_ABC_mP48_14_4e_4e_4e_CHN__TE_079881122319_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_mP48_14_4e_4e_4e v001
EquilibriumCrystalStructure_ABC_mP6_11_e_e_e_HNaO__TE_414891439649_001 Equilibrium crystal structure and energy for HNaO in AFLOW crystal prototype ABC_mP6_11_e_e_e v001
EquilibriumCrystalStructure_ABC_oC12_63_c_c_c_HNaO__TE_460690501908_001 Equilibrium crystal structure and energy for HNaO in AFLOW crystal prototype ABC_oC12_63_c_c_c v001
EquilibriumCrystalStructure_ABC_oI6_44_a_a_a_CHN__TE_736546690836_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_oI6_44_a_a_a v001
EquilibriumCrystalStructure_ABC_tI6_107_a_a_a_CHN__TE_507308921750_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_tI6_107_a_a_a v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Calcium_Hydroxide__TE_290999115954_000 Unconstrained equilibrium crystal structure and energy of Calcium Hydroxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Gypsum__TE_786449451894_000 Unconstrained equilibrium crystal structure and energy of Gypsum expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Hemihydrate__TE_408150552107_000 Unconstrained equilibrium crystal structure and energy of Hemihydrate expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Kaolinite__TE_770977003873_000 Unconstrained equilibrium crystal structure and energy of Kaolinite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Magnesium_Hydroxide__TE_760940522921_000 Unconstrained equilibrium crystal structure and energy of Magnesium Hydroxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Montmorillonite__TE_912341279351_000 Unconstrained equilibrium crystal structure and energy of Montmorillonite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Muscovite__TE_755120994678_000 Unconstrained equilibrium crystal structure and energy of Muscovite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Nickel_Hydroxide__TE_190023696711_000 Unconstrained equilibrium crystal structure and energy of Nickel Hydroxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Pyrophyllite__TE_850892375316_000 Unconstrained equilibrium crystal structure and energy of Pyrophyllite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Tobermorite__TE_046183663521_000 Unconstrained equilibrium crystal structure and energy of Tobermorite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Kaolinite__TE_313060772354_000 Unconstrained equilibrium crystal structure and energy of Kaolinite expressed in PCFF-INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Montmorillonite__TE_317102643046_000 Unconstrained equilibrium crystal structure and energy of Montmorillonite expressed in PCFF-INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Pyrophyllite__TE_060007452167_000 Unconstrained equilibrium crystal structure and energy of Pyrophyllite expressed in PCFF-INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Tobermorite__TE_068767742876_000 Unconstrained equilibrium crystal structure and energy of Tobermorite expressed in PCFF-INTERFACE atom types and bonding v000
LatticeConstantCubicEnergy_bcc_H__TE_166241045885_007 Equilibrium zero-temperature lattice constant for bcc H v007
LatticeConstantCubicEnergy_diamond_H__TE_257661677950_007 Equilibrium zero-temperature lattice constant for diamond H v007
LatticeConstantCubicEnergy_fcc_H__TE_384479542888_007 Equilibrium zero-temperature lattice constant for fcc H v007
LatticeConstantCubicEnergy_sc_H__TE_478794314457_007 Equilibrium zero-temperature lattice constant for sc H v007
LatticeConstantHexagonalEnergy_hcp_H__TE_510142503120_005 Equilibrium lattice constants for hcp H v005
He
Test Title
CohesiveEnergyVsLatticeConstant_bcc_He__TE_330970890779_004 Cohesive energy versus lattice constant curve for bcc He v004
CohesiveEnergyVsLatticeConstant_diamond_He__TE_820662223663_004 Cohesive energy versus lattice constant curve for diamond He v004
CohesiveEnergyVsLatticeConstant_fcc_He__TE_729456785006_004 Cohesive energy versus lattice constant curve for fcc He v004
CohesiveEnergyVsLatticeConstant_sc_He__TE_501110406755_004 Cohesive energy versus lattice constant curve for sc He v004
ElasticConstantsCubic_bcc_He__TE_683033429598_006 Elastic constants for bcc He at zero temperature v006
ElasticConstantsCubic_diamond_He__TE_167306356126_001 Elastic constants for diamond He at zero temperature v001
ElasticConstantsCubic_fcc_He__TE_137885203949_006 Elastic constants for fcc He at zero temperature v006
ElasticConstantsCubic_sc_He__TE_372278391832_006 Elastic constants for sc He at zero temperature v006
ElasticConstantsHexagonal_hcp_He__TE_817820294680_004 Elastic constants for hcp He at zero temperature v004
EquilibriumCrystalStructure_A_cF4_225_a_He__TE_073281442810_002 Equilibrium crystal structure and energy for He in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_He__TE_454997914809_002 Equilibrium crystal structure and energy for He in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP1_191_a_He__TE_310123903076_002 Equilibrium crystal structure and energy for He in AFLOW crystal prototype A_hP1_191_a v002
EquilibriumCrystalStructure_A_hP2_194_c_He__TE_060366648920_002 Equilibrium crystal structure and energy for He in AFLOW crystal prototype A_hP2_194_c v002
LatticeConstantCubicEnergy_bcc_He__TE_589471996140_007 Equilibrium zero-temperature lattice constant for bcc He v007
LatticeConstantCubicEnergy_diamond_He__TE_791331300628_007 Equilibrium zero-temperature lattice constant for diamond He v007
LatticeConstantCubicEnergy_fcc_He__TE_512360665128_007 Equilibrium zero-temperature lattice constant for fcc He v007
LatticeConstantCubicEnergy_sc_He__TE_950626389936_007 Equilibrium zero-temperature lattice constant for sc He v007
LatticeConstantHexagonalEnergy_hcp_He__TE_577376063757_005 Equilibrium lattice constants for hcp He v005
VacancyFormationEnergyRelaxationVolume_hcp_He__TE_003328986195_001 Monovacancy formation energy and relaxation volume for hcp He
VacancyFormationMigration_hcp_He__TE_359521988045_001 Vacancy formation and migration energy for hcp He
Hf
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Hf__TE_348171171573_004 Cohesive energy versus lattice constant curve for bcc Hf v004
CohesiveEnergyVsLatticeConstant_diamond_Hf__TE_278499731565_004 Cohesive energy versus lattice constant curve for diamond Hf v004
CohesiveEnergyVsLatticeConstant_fcc_Hf__TE_242360810316_004 Cohesive energy versus lattice constant curve for fcc Hf v004
CohesiveEnergyVsLatticeConstant_sc_Hf__TE_469561300502_004 Cohesive energy versus lattice constant curve for sc Hf v004
ElasticConstantsCubic_bcc_Hf__TE_186629138840_006 Elastic constants for bcc Hf at zero temperature v006
ElasticConstantsCubic_diamond_Hf__TE_729830187741_001 Elastic constants for diamond Hf at zero temperature v001
ElasticConstantsCubic_fcc_Hf__TE_957101108407_006 Elastic constants for fcc Hf at zero temperature v006
ElasticConstantsCubic_sc_Hf__TE_741745912391_006 Elastic constants for sc Hf at zero temperature v006
ElasticConstantsHexagonal_hcp_Hf__TE_653190876149_004 Elastic constants for hcp Hf at zero temperature v004
EquilibriumCrystalStructure_A12B_cF52_225_h_b_BHf__TE_696993967517_002 Equilibrium crystal structure and energy for BHf in AFLOW crystal prototype A12B_cF52_225_h_b v002
EquilibriumCrystalStructure_A2B_hP3_191_c_b_BHf__TE_232805042838_002 Equilibrium crystal structure and energy for BHf in AFLOW crystal prototype A2B_hP3_191_c_b v002
EquilibriumCrystalStructure_A_cF4_225_a_Hf__TE_687015460711_002 Equilibrium crystal structure and energy for Hf in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Hf__TE_240511874967_002 Equilibrium crystal structure and energy for Hf in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Hf__TE_685259184569_002 Equilibrium crystal structure and energy for Hf in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_hP3_191_ad_Hf__TE_612006084032_002 Equilibrium crystal structure and energy for Hf in AFLOW crystal prototype A_hP3_191_ad v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_BHf__TE_758401171743_002 Equilibrium crystal structure and energy for BHf in AFLOW crystal prototype AB_cF8_225_a_b v002
LatticeConstantCubicEnergy_bcc_Hf__TE_741437175909_007 Equilibrium zero-temperature lattice constant for bcc Hf v007
LatticeConstantCubicEnergy_diamond_Hf__TE_736614281790_007 Equilibrium zero-temperature lattice constant for diamond Hf v007
LatticeConstantCubicEnergy_fcc_Hf__TE_055034939301_007 Equilibrium zero-temperature lattice constant for fcc Hf v007
LatticeConstantCubicEnergy_sc_Hf__TE_719555478191_007 Equilibrium zero-temperature lattice constant for sc Hf v007
LatticeConstantHexagonalEnergy_hcp_Hf__TE_821250747579_005 Equilibrium lattice constants for hcp Hf v005
VacancyFormationEnergyRelaxationVolume_hcp_Hf__TE_832320709867_001 Monovacancy formation energy and relaxation volume for hcp Hf
VacancyFormationMigration_hcp_Hf__TE_101580974684_001 Vacancy formation and migration energy for hcp Hf
Hg
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Hg__TE_284425144200_004 Cohesive energy versus lattice constant curve for bcc Hg v004
CohesiveEnergyVsLatticeConstant_diamond_Hg__TE_422233369624_004 Cohesive energy versus lattice constant curve for diamond Hg v004
CohesiveEnergyVsLatticeConstant_fcc_Hg__TE_195172953644_004 Cohesive energy versus lattice constant curve for fcc Hg v004
CohesiveEnergyVsLatticeConstant_sc_Hg__TE_539541612392_004 Cohesive energy versus lattice constant curve for sc Hg v004
ElasticConstantsCubic_bcc_Hg__TE_824770580587_006 Elastic constants for bcc Hg at zero temperature v006
ElasticConstantsCubic_diamond_Hg__TE_404079259133_001 Elastic constants for diamond Hg at zero temperature v001
ElasticConstantsCubic_fcc_Hg__TE_828407621313_006 Elastic constants for fcc Hg at zero temperature v006
ElasticConstantsCubic_sc_Hg__TE_809928444793_006 Elastic constants for sc Hg at zero temperature v006
ElasticConstantsHexagonal_hcp_Hg__TE_650213893204_004 Elastic constants for hcp Hg at zero temperature v004
EquilibriumCrystalStructure_A2B_tI6_139_e_a_CdHg__TE_342214674512_002 Equilibrium crystal structure and energy for CdHg in AFLOW crystal prototype A2B_tI6_139_e_a v002
EquilibriumCrystalStructure_A_hP3_191_ad_Hg__TE_949591093107_002 Equilibrium crystal structure and energy for Hg in AFLOW crystal prototype A_hP3_191_ad v002
EquilibriumCrystalStructure_A_hR1_166_a_Hg__TE_961882239272_002 Equilibrium crystal structure and energy for Hg in AFLOW crystal prototype A_hR1_166_a v002
EquilibriumCrystalStructure_A_mC2_12_a_Hg__TE_199082145793_002 Equilibrium crystal structure and energy for Hg in AFLOW crystal prototype A_mC2_12_a v002
EquilibriumCrystalStructure_A_mC6_12_ai_Hg__TE_108836422035_002 Equilibrium crystal structure and energy for Hg in AFLOW crystal prototype A_mC6_12_ai v002
EquilibriumCrystalStructure_A_tI2_139_a_Hg__TE_902578515558_002 Equilibrium crystal structure and energy for Hg in AFLOW crystal prototype A_tI2_139_a v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_CdHg__TE_601482419485_002 Equilibrium crystal structure and energy for CdHg in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_HgS__TE_499640709027_002 Equilibrium crystal structure and energy for HgS in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_HgSe__TE_756335944239_002 Equilibrium crystal structure and energy for HgSe in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_HgTe__TE_028776906430_002 Equilibrium crystal structure and energy for HgTe in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_HgS__TE_824120922757_002 Equilibrium crystal structure and energy for HgS in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_HgSe__TE_606049248549_002 Equilibrium crystal structure and energy for HgSe in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_HgTe__TE_925426466827_002 Equilibrium crystal structure and energy for HgTe in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_HgTe__TE_947541448151_002 Equilibrium crystal structure and energy for HgTe in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_hP6_152_a_b_HgS__TE_910030787326_002 Equilibrium crystal structure and energy for HgS in AFLOW crystal prototype AB_hP6_152_a_b v002
EquilibriumCrystalStructure_AB_hP6_152_a_b_HgTe__TE_036803608077_002 Equilibrium crystal structure and energy for HgTe in AFLOW crystal prototype AB_hP6_152_a_b v002
EquilibriumCrystalStructure_AB_hP6_154_a_b_HgSe__TE_354929965681_002 Equilibrium crystal structure and energy for HgSe in AFLOW crystal prototype AB_hP6_154_a_b v002
EquilibriumCrystalStructure_AB_oC8_63_c_c_HgTe__TE_499221370453_002 Equilibrium crystal structure and energy for HgTe in AFLOW crystal prototype AB_oC8_63_c_c v002
LatticeConstantCubicEnergy_bcc_Hg__TE_833838261644_007 Equilibrium zero-temperature lattice constant for bcc Hg v007
LatticeConstantCubicEnergy_diamond_Hg__TE_363552918934_007 Equilibrium zero-temperature lattice constant for diamond Hg v007
LatticeConstantCubicEnergy_fcc_Hg__TE_614197164785_007 Equilibrium zero-temperature lattice constant for fcc Hg v007
LatticeConstantCubicEnergy_sc_Hg__TE_960974263379_007 Equilibrium zero-temperature lattice constant for sc Hg v007
LatticeConstantHexagonalEnergy_hcp_Hg__TE_447472032902_005 Equilibrium lattice constants for hcp Hg v005
Ho
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Ho__TE_810216058665_004 Cohesive energy versus lattice constant curve for bcc Ho v004
CohesiveEnergyVsLatticeConstant_diamond_Ho__TE_041380819740_004 Cohesive energy versus lattice constant curve for diamond Ho v004
CohesiveEnergyVsLatticeConstant_fcc_Ho__TE_991101754222_004 Cohesive energy versus lattice constant curve for fcc Ho v004
CohesiveEnergyVsLatticeConstant_sc_Ho__TE_015557458186_004 Cohesive energy versus lattice constant curve for sc Ho v004
ElasticConstantsCubic_bcc_Ho__TE_151870607393_006 Elastic constants for bcc Ho at zero temperature v006
ElasticConstantsCubic_diamond_Ho__TE_660618784086_001 Elastic constants for diamond Ho at zero temperature v001
ElasticConstantsCubic_fcc_Ho__TE_063650088650_006 Elastic constants for fcc Ho at zero temperature v006
ElasticConstantsCubic_sc_Ho__TE_983059368217_006 Elastic constants for sc Ho at zero temperature v006
ElasticConstantsHexagonal_hcp_Ho__TE_327691536122_004 Elastic constants for hcp Ho at zero temperature v004
LatticeConstantCubicEnergy_bcc_Ho__TE_301690594964_007 Equilibrium zero-temperature lattice constant for bcc Ho v007
LatticeConstantCubicEnergy_diamond_Ho__TE_590959800337_007 Equilibrium zero-temperature lattice constant for diamond Ho v007
LatticeConstantCubicEnergy_fcc_Ho__TE_330861623422_007 Equilibrium zero-temperature lattice constant for fcc Ho v007
LatticeConstantCubicEnergy_sc_Ho__TE_691077341965_007 Equilibrium zero-temperature lattice constant for sc Ho v007
LatticeConstantHexagonalEnergy_hcp_Ho__TE_377856049003_005 Equilibrium lattice constants for hcp Ho v005
I
Test Title
CohesiveEnergyVsLatticeConstant_bcc_I__TE_505022194128_004 Cohesive energy versus lattice constant curve for bcc I v004
CohesiveEnergyVsLatticeConstant_diamond_I__TE_941440653708_004 Cohesive energy versus lattice constant curve for diamond I v004
CohesiveEnergyVsLatticeConstant_fcc_I__TE_932122895595_004 Cohesive energy versus lattice constant curve for fcc I v004
CohesiveEnergyVsLatticeConstant_sc_I__TE_232821636613_004 Cohesive energy versus lattice constant curve for sc I v004
ElasticConstantsCubic_bcc_I__TE_692538709468_006 Elastic constants for bcc I at zero temperature v006
ElasticConstantsCubic_diamond_I__TE_609768702885_001 Elastic constants for diamond I at zero temperature v001
ElasticConstantsCubic_fcc_I__TE_036503559424_006 Elastic constants for fcc I at zero temperature v006
ElasticConstantsCubic_sc_I__TE_847841099173_006 Elastic constants for sc I at zero temperature v006
ElasticConstantsHexagonal_hcp_I__TE_686502989415_004 Elastic constants for hcp I at zero temperature v004
EquilibriumCrystalStructure_A2B3C_oC24_36_2a_3a_a_CsILi__TE_832313826003_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype A2B3C_oC24_36_2a_3a_a v001
EquilibriumCrystalStructure_A2B5C3_mC20_12_i_a2i_ci_CsILi__TE_308812745498_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype A2B5C3_mC20_12_i_a2i_ci v001
EquilibriumCrystalStructure_A2BC_hR4_166_c_a_b_ClCsI__TE_761413352286_001 Equilibrium crystal structure and energy for ClCsI in AFLOW crystal prototype A2BC_hR4_166_c_a_b v001
EquilibriumCrystalStructure_A2BC_mP32_14_4e_2e_2e_ClIK__TE_853038071639_001 Equilibrium crystal structure and energy for ClIK in AFLOW crystal prototype A2BC_mP32_14_4e_2e_2e v001
EquilibriumCrystalStructure_A3B4C_mP16_11_a2e_2ef_e_CsILi__TE_535108341975_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype A3B4C_mP16_11_a2e_2ef_e v001
EquilibriumCrystalStructure_A3B_aP8_2_3i_i_ClI__TE_101258440758_002 Equilibrium crystal structure and energy for ClI in AFLOW crystal prototype A3B_aP8_2_3i_i v002
EquilibriumCrystalStructure_A3B_oP16_62_3c_c_IRb__TE_144157036783_002 Equilibrium crystal structure and energy for IRb in AFLOW crystal prototype A3B_oP16_62_3c_c v002
EquilibriumCrystalStructure_A3B_oP16_62_cd_c_FI__TE_361648118701_002 Equilibrium crystal structure and energy for FI in AFLOW crystal prototype A3B_oP16_62_cd_c v002
EquilibriumCrystalStructure_A4BC_mP24_14_4e_e_e_ClIK__TE_803294828331_001 Equilibrium crystal structure and energy for ClIK in AFLOW crystal prototype A4BC_mP24_14_4e_e_e v001
EquilibriumCrystalStructure_A5B_mC120_15_e12f_e2f_FI__TE_440930387471_002 Equilibrium crystal structure and energy for FI in AFLOW crystal prototype A5B_mC120_15_e12f_e2f v002
EquilibriumCrystalStructure_A7B_oC32_41_a3b_a_FI__TE_176878524891_002 Equilibrium crystal structure and energy for FI in AFLOW crystal prototype A7B_oC32_41_a3b_a v002
EquilibriumCrystalStructure_A_oC8_64_f_I__TE_931860076739_002 Equilibrium crystal structure and energy for I in AFLOW crystal prototype A_oC8_64_f v002
EquilibriumCrystalStructure_A_oF16_69_m_I__TE_066776923622_002 Equilibrium crystal structure and energy for I in AFLOW crystal prototype A_oF16_69_m v002
EquilibriumCrystalStructure_A_oI2_71_a_I__TE_231324911199_002 Equilibrium crystal structure and energy for I in AFLOW crystal prototype A_oI2_71_a v002
EquilibriumCrystalStructure_A_tI2_139_a_I__TE_551705502598_002 Equilibrium crystal structure and energy for I in AFLOW crystal prototype A_tI2_139_a v002
EquilibriumCrystalStructure_AB2C_oC32_36_2a_4a_2a_CsILi__TE_748843726034_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype AB2C_oC32_36_2a_4a_2a v001
EquilibriumCrystalStructure_AB4_mP20_14_e_4e_CsI__TE_914119528569_002 Equilibrium crystal structure and energy for CsI in AFLOW crystal prototype AB4_mP20_14_e_4e v002
EquilibriumCrystalStructure_AB4C3_mP16_6_2a_3a5b_3a3b_CsILi__TE_262961975396_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype AB4C3_mP16_6_2a_3a5b_3a3b v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_CsI__TE_201276514993_002 Equilibrium crystal structure and energy for CsI in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_IK__TE_942074425811_002 Equilibrium crystal structure and energy for IK in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_ILi__TE_758074139902_002 Equilibrium crystal structure and energy for ILi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_INa__TE_710284495423_002 Equilibrium crystal structure and energy for INa in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_IRb__TE_705224227413_002 Equilibrium crystal structure and energy for IRb in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CsI__TE_942530721885_002 Equilibrium crystal structure and energy for CsI in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_IK__TE_633452429055_002 Equilibrium crystal structure and energy for IK in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_IRb__TE_869178084890_002 Equilibrium crystal structure and energy for IRb in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_ILi__TE_761212334481_002 Equilibrium crystal structure and energy for ILi in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_a_ILi__TE_854771503509_002 Equilibrium crystal structure and energy for ILi in AFLOW crystal prototype AB_hP4_194_c_a v002
EquilibriumCrystalStructure_AB_mP16_14_2e_2e_ClI__TE_540914421966_002 Equilibrium crystal structure and energy for ClI in AFLOW crystal prototype AB_mP16_14_2e_2e v002
LatticeConstantCubicEnergy_bcc_I__TE_245473127273_007 Equilibrium zero-temperature lattice constant for bcc I v007
LatticeConstantCubicEnergy_diamond_I__TE_994214177875_007 Equilibrium zero-temperature lattice constant for diamond I v007
LatticeConstantCubicEnergy_fcc_I__TE_827132363570_007 Equilibrium zero-temperature lattice constant for fcc I v007
LatticeConstantCubicEnergy_sc_I__TE_438902088953_007 Equilibrium zero-temperature lattice constant for sc I v007
LatticeConstantHexagonalEnergy_hcp_I__TE_114031788313_005 Equilibrium lattice constants for hcp I v005
In
Test Title
CohesiveEnergyVsLatticeConstant_bcc_In__TE_473669643068_004 Cohesive energy versus lattice constant curve for bcc In v004
CohesiveEnergyVsLatticeConstant_diamond_In__TE_572486896571_004 Cohesive energy versus lattice constant curve for diamond In v004
CohesiveEnergyVsLatticeConstant_fcc_In__TE_129620647381_004 Cohesive energy versus lattice constant curve for fcc In v004
CohesiveEnergyVsLatticeConstant_sc_In__TE_849448051447_004 Cohesive energy versus lattice constant curve for sc In v004
ElasticConstantsCubic_bcc_In__TE_142784119870_006 Elastic constants for bcc In at zero temperature v006
ElasticConstantsCubic_diamond_In__TE_964686362716_001 Elastic constants for diamond In at zero temperature v001
ElasticConstantsCubic_fcc_In__TE_739086745005_006 Elastic constants for fcc In at zero temperature v006
ElasticConstantsCubic_sc_In__TE_258661831030_006 Elastic constants for sc In at zero temperature v006
ElasticConstantsHexagonal_hcp_In__TE_003877627146_004 Elastic constants for hcp In at zero temperature v004
EquilibriumCrystalStructure_A_tI2_139_a_In__TE_308130713034_002 Equilibrium crystal structure and energy for In in AFLOW crystal prototype A_tI2_139_a v002
EquilibriumCrystalStructure_AB3_hR8_166_c_h_InP__TE_797021725895_002 Equilibrium crystal structure and energy for InP in AFLOW crystal prototype AB3_hR8_166_c_h v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_InN__TE_051652294724_002 Equilibrium crystal structure and energy for InN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_InP__TE_066371778006_002 Equilibrium crystal structure and energy for InP in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_InN__TE_314459809340_002 Equilibrium crystal structure and energy for InN in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_InP__TE_897464918587_002 Equilibrium crystal structure and energy for InP in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_InN__TE_192117532843_002 Equilibrium crystal structure and energy for InN in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_InP__TE_762967832155_002 Equilibrium crystal structure and energy for InP in AFLOW crystal prototype AB_hP4_186_b_b v002
LatticeConstantCubicEnergy_bcc_In__TE_857176156202_007 Equilibrium zero-temperature lattice constant for bcc In v007
LatticeConstantCubicEnergy_diamond_In__TE_324485683050_007 Equilibrium zero-temperature lattice constant for diamond In v007
LatticeConstantCubicEnergy_fcc_In__TE_931561976183_007 Equilibrium zero-temperature lattice constant for fcc In v007
LatticeConstantCubicEnergy_sc_In__TE_560333640594_007 Equilibrium zero-temperature lattice constant for sc In v007
LatticeConstantHexagonalEnergy_hcp_In__TE_373827355800_005 Equilibrium lattice constants for hcp In v005
Ir
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Ir__TE_796845718981_004 Cohesive energy versus lattice constant curve for bcc Ir v004
CohesiveEnergyVsLatticeConstant_diamond_Ir__TE_613757197934_004 Cohesive energy versus lattice constant curve for diamond Ir v004
CohesiveEnergyVsLatticeConstant_fcc_Ir__TE_767791139922_004 Cohesive energy versus lattice constant curve for fcc Ir v004
CohesiveEnergyVsLatticeConstant_sc_Ir__TE_850746398400_004 Cohesive energy versus lattice constant curve for sc Ir v004
ElasticConstantsCubic_bcc_Ir__TE_257076091549_006 Elastic constants for bcc Ir at zero temperature v006
ElasticConstantsCubic_diamond_Ir__TE_466500034854_001 Elastic constants for diamond Ir at zero temperature v001
ElasticConstantsCubic_fcc_Ir__TE_888346807919_006 Elastic constants for fcc Ir at zero temperature v006
ElasticConstantsCubic_sc_Ir__TE_707478894007_006 Elastic constants for sc Ir at zero temperature v006
ElasticConstantsHexagonal_hcp_Ir__TE_188708145969_004 Elastic constants for hcp Ir at zero temperature v004
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Iridium__TE_185896031186_000 Unconstrained equilibrium crystal structure and energy of Iridium expressed in CHARMM-GUI INTERFACE atom types and bonding v000
LatticeConstantCubicEnergy_bcc_Ir__TE_757109735044_007 Equilibrium zero-temperature lattice constant for bcc Ir v007
LatticeConstantCubicEnergy_diamond_Ir__TE_967012848238_007 Equilibrium zero-temperature lattice constant for diamond Ir v007
LatticeConstantCubicEnergy_fcc_Ir__TE_199588734582_007 Equilibrium zero-temperature lattice constant for fcc Ir v007
LatticeConstantCubicEnergy_sc_Ir__TE_439318916521_007 Equilibrium zero-temperature lattice constant for sc Ir v007
LatticeConstantHexagonalEnergy_hcp_Ir__TE_972346458390_005 Equilibrium lattice constants for hcp Ir v005
LinearThermalExpansionCoeff_fcc_Ir__TE_657654753530_002 Linear thermal expansion coefficient of fcc Ir at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Ir__TE_304582854282_004 Phonon dispersion relations for fcc Ir v004
StackingFaultFccCrystal_0bar_Ir__TE_919855379475_002 Stacking and twinning fault energies for fcc Ir v002
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ir__TE_262128211813_004 Broken-bond fit of high-symmetry surface energies in fcc Ir v004
VacancyFormationEnergyRelaxationVolume_fcc_Ir__TE_196840104106_001 Monovacancy formation energy and relaxation volume for fcc Ir
VacancyFormationMigration_fcc_Ir__TE_062168017587_001 Vacancy formation and migration energy for fcc Ir
K
Test Title
CohesiveEnergyVsLatticeConstant_bcc_K__TE_948424030869_004 Cohesive energy versus lattice constant curve for bcc K v004
CohesiveEnergyVsLatticeConstant_diamond_K__TE_918512590897_004 Cohesive energy versus lattice constant curve for diamond K v004
CohesiveEnergyVsLatticeConstant_fcc_K__TE_505710248958_004 Cohesive energy versus lattice constant curve for fcc K v004
CohesiveEnergyVsLatticeConstant_sc_K__TE_143679626742_004 Cohesive energy versus lattice constant curve for sc K v004
ElasticConstantsCubic_bcc_K__TE_398800873164_006 Elastic constants for bcc K at zero temperature v006
ElasticConstantsCubic_diamond_K__TE_071926154848_001 Elastic constants for diamond K at zero temperature v001
ElasticConstantsCubic_fcc_K__TE_577629158683_006 Elastic constants for fcc K at zero temperature v006
ElasticConstantsCubic_sc_K__TE_548602594961_006 Elastic constants for sc K at zero temperature v006
ElasticConstantsHexagonal_hcp_K__TE_711882645588_004 Elastic constants for hcp K at zero temperature v004
EquilibriumCrystalStructure_A2BC_mP32_14_4e_2e_2e_ClIK__TE_853038071639_001 Equilibrium crystal structure and energy for ClIK in AFLOW crystal prototype A2BC_mP32_14_4e_2e_2e v001
EquilibriumCrystalStructure_A4BC_mP24_14_4e_e_e_ClIK__TE_803294828331_001 Equilibrium crystal structure and energy for ClIK in AFLOW crystal prototype A4BC_mP24_14_4e_e_e v001
EquilibriumCrystalStructure_A_cF4_225_a_K__TE_799599969120_002 Equilibrium crystal structure and energy for K in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_K__TE_508974848399_002 Equilibrium crystal structure and energy for K in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_cP1_221_a_K__TE_349993408244_002 Equilibrium crystal structure and energy for K in AFLOW crystal prototype A_cP1_221_a v002
EquilibriumCrystalStructure_A_hP3_191_ad_K__TE_702685693520_002 Equilibrium crystal structure and energy for K in AFLOW crystal prototype A_hP3_191_ad v002
EquilibriumCrystalStructure_A_oC4_63_c_K__TE_861558460228_002 Equilibrium crystal structure and energy for K in AFLOW crystal prototype A_oC4_63_c v002
EquilibriumCrystalStructure_A_oP8_62_2c_K__TE_391680018863_002 Equilibrium crystal structure and energy for K in AFLOW crystal prototype A_oP8_62_2c v002
EquilibriumCrystalStructure_A_tI4_141_a_K__TE_491254189347_002 Equilibrium crystal structure and energy for K in AFLOW crystal prototype A_tI4_141_a v002
EquilibriumCrystalStructure_A_tP1_123_a_K__TE_365961164133_002 Equilibrium crystal structure and energy for K in AFLOW crystal prototype A_tP1_123_a v002
EquilibriumCrystalStructure_A_tP4_123_l_K__TE_665772183533_002 Equilibrium crystal structure and energy for K in AFLOW crystal prototype A_tP4_123_l v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_CsK__TE_523395503156_002 Equilibrium crystal structure and energy for CsK in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_KNa__TE_858573076719_002 Equilibrium crystal structure and energy for KNa in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB4C_tI24_140_b_l_c_BrFK__TE_166877561465_001 Equilibrium crystal structure and energy for BrFK in AFLOW crystal prototype AB4C_tI24_140_b_l_c v001
EquilibriumCrystalStructure_AB4C_tI24_140_d_l_a_BrFK__TE_518064975328_001 Equilibrium crystal structure and energy for BrFK in AFLOW crystal prototype AB4C_tI24_140_d_l_a v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_BrK__TE_399058838325_002 Equilibrium crystal structure and energy for BrK in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_ClK__TE_327870808581_002 Equilibrium crystal structure and energy for ClK in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FK__TE_704877517269_002 Equilibrium crystal structure and energy for FK in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_IK__TE_942074425811_002 Equilibrium crystal structure and energy for IK in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_BrK__TE_414157765132_002 Equilibrium crystal structure and energy for BrK in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_ClK__TE_957979520248_002 Equilibrium crystal structure and energy for ClK in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_FK__TE_321993236290_002 Equilibrium crystal structure and energy for FK in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_IK__TE_633452429055_002 Equilibrium crystal structure and energy for IK in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Muscovite__TE_755120994678_000 Unconstrained equilibrium crystal structure and energy of Muscovite expressed in CHARMM-GUI INTERFACE atom types and bonding v000
LatticeConstantCubicEnergy_bcc_K__TE_917432637078_007 Equilibrium zero-temperature lattice constant for bcc K v007
LatticeConstantCubicEnergy_diamond_K__TE_955730981621_007 Equilibrium zero-temperature lattice constant for diamond K v007
LatticeConstantCubicEnergy_fcc_K__TE_110148414204_007 Equilibrium zero-temperature lattice constant for fcc K v007
LatticeConstantCubicEnergy_sc_K__TE_874067062068_007 Equilibrium zero-temperature lattice constant for sc K v007
LatticeConstantHexagonalEnergy_hcp_K__TE_680989010054_005 Equilibrium lattice constants for hcp K v005
LinearThermalExpansionCoeff_bcc_K__TE_293947541816_002 Linear thermal expansion coefficient of bcc K at 293.15 K under a pressure of 0 MPa v002
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_K__TE_493207163006_004 Broken-bond fit of high-symmetry surface energies in bcc K v004
VacancyFormationEnergyRelaxationVolume_bcc_K__TE_251241552292_001 Monovacancy formation energy and relaxation volume for bcc K
VacancyFormationMigration_bcc_K__TE_885611515463_001 Vacancy formation and migration energy for bcc K
Kr
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Kr__TE_333188519574_004 Cohesive energy versus lattice constant curve for bcc Kr v004
CohesiveEnergyVsLatticeConstant_diamond_Kr__TE_449806554810_004 Cohesive energy versus lattice constant curve for diamond Kr v004
CohesiveEnergyVsLatticeConstant_fcc_Kr__TE_167494530436_004 Cohesive energy versus lattice constant curve for fcc Kr v004
CohesiveEnergyVsLatticeConstant_sc_Kr__TE_434389383293_004 Cohesive energy versus lattice constant curve for sc Kr v004
ElasticConstantsCubic_bcc_Kr__TE_415206433203_006 Elastic constants for bcc Kr at zero temperature v006
ElasticConstantsCubic_diamond_Kr__TE_050459308078_001 Elastic constants for diamond Kr at zero temperature v001
ElasticConstantsCubic_fcc_Kr__TE_326558182660_006 Elastic constants for fcc Kr at zero temperature v006
ElasticConstantsCubic_sc_Kr__TE_603773082475_006 Elastic constants for sc Kr at zero temperature v006
ElasticConstantsHexagonal_hcp_Kr__TE_793946680566_004 Elastic constants for hcp Kr at zero temperature v004
EquilibriumCrystalStructure_A_cF4_225_a_Kr__TE_423630188180_002 Equilibrium crystal structure and energy for Kr in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Kr__TE_221944764980_002 Equilibrium crystal structure and energy for Kr in AFLOW crystal prototype A_hP2_194_c v002
LatticeConstantCubicEnergy_bcc_Kr__TE_114238559388_007 Equilibrium zero-temperature lattice constant for bcc Kr v007
LatticeConstantCubicEnergy_diamond_Kr__TE_655555872846_007 Equilibrium zero-temperature lattice constant for diamond Kr v007
LatticeConstantCubicEnergy_fcc_Kr__TE_809411307386_007 Equilibrium zero-temperature lattice constant for fcc Kr v007
LatticeConstantCubicEnergy_sc_Kr__TE_092950217371_007 Equilibrium zero-temperature lattice constant for sc Kr v007
LatticeConstantHexagonalEnergy_hcp_Kr__TE_511916047223_005 Equilibrium lattice constants for hcp Kr v005
LinearThermalExpansionCoeff_fcc_Kr__TE_080995775402_002 Linear thermal expansion coefficient of fcc Kr at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Kr__TE_625166401196_004 Phonon dispersion relations for fcc Kr v004
StackingFaultFccCrystal_0bar_Kr__TE_921811007024_002 Stacking and twinning fault energies for fcc Kr v002
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Kr__TE_673426974299_004 Broken-bond fit of high-symmetry surface energies in fcc Kr v004
La
Test Title
CohesiveEnergyVsLatticeConstant_bcc_La__TE_080095593822_004 Cohesive energy versus lattice constant curve for bcc La v004
CohesiveEnergyVsLatticeConstant_diamond_La__TE_636846695311_004 Cohesive energy versus lattice constant curve for diamond La v004
CohesiveEnergyVsLatticeConstant_fcc_La__TE_470597489922_004 Cohesive energy versus lattice constant curve for fcc La v004
CohesiveEnergyVsLatticeConstant_sc_La__TE_635106778025_004 Cohesive energy versus lattice constant curve for sc La v004
ElasticConstantsCubic_bcc_La__TE_840126501885_006 Elastic constants for bcc La at zero temperature v006
ElasticConstantsCubic_diamond_La__TE_920394250207_001 Elastic constants for diamond La at zero temperature v001
ElasticConstantsCubic_fcc_La__TE_254237019255_006 Elastic constants for fcc La at zero temperature v006
ElasticConstantsCubic_sc_La__TE_042675762703_006 Elastic constants for sc La at zero temperature v006
ElasticConstantsHexagonal_hcp_La__TE_681505450073_004 Elastic constants for hcp La at zero temperature v004
EquilibriumCrystalStructure_A2B3_cI80_206_ad_e_LaO__TE_464209079840_002 Equilibrium crystal structure and energy for LaO in AFLOW crystal prototype A2B3_cI80_206_ad_e v002
EquilibriumCrystalStructure_A2B3_hP5_164_d_ad_LaO__TE_137976044611_002 Equilibrium crystal structure and energy for LaO in AFLOW crystal prototype A2B3_hP5_164_d_ad v002
EquilibriumCrystalStructure_A2B3_hP5_189_c_g_LaO__TE_416279781643_002 Equilibrium crystal structure and energy for LaO in AFLOW crystal prototype A2B3_hP5_189_c_g v002
EquilibriumCrystalStructure_A2B3_mC30_12_3i_a4i_LaO__TE_921467762871_002 Equilibrium crystal structure and energy for LaO in AFLOW crystal prototype A2B3_mC30_12_3i_a4i v002
EquilibriumCrystalStructure_A_cF4_225_a_La__TE_605885331881_002 Equilibrium crystal structure and energy for La in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_La__TE_804595663474_002 Equilibrium crystal structure and energy for La in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP4_194_ac_La__TE_733312914155_002 Equilibrium crystal structure and energy for La in AFLOW crystal prototype A_hP4_194_ac v002
LatticeConstantCubicEnergy_bcc_La__TE_882853249898_007 Equilibrium zero-temperature lattice constant for bcc La v007
LatticeConstantCubicEnergy_diamond_La__TE_966018523723_007 Equilibrium zero-temperature lattice constant for diamond La v007
LatticeConstantCubicEnergy_fcc_La__TE_041829301321_007 Equilibrium zero-temperature lattice constant for fcc La v007
LatticeConstantCubicEnergy_sc_La__TE_775558978197_007 Equilibrium zero-temperature lattice constant for sc La v007
LatticeConstantHexagonalEnergy_hcp_La__TE_788846129647_005 Equilibrium lattice constants for hcp La v005
Li
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Li__TE_600015950328_004 Cohesive energy versus lattice constant curve for bcc Li v004
CohesiveEnergyVsLatticeConstant_diamond_Li__TE_485686046670_004 Cohesive energy versus lattice constant curve for diamond Li v004
CohesiveEnergyVsLatticeConstant_fcc_Li__TE_008689272148_004 Cohesive energy versus lattice constant curve for fcc Li v004
CohesiveEnergyVsLatticeConstant_sc_Li__TE_801257231236_004 Cohesive energy versus lattice constant curve for sc Li v004
ElasticConstantsCubic_bcc_Li__TE_287233376435_006 Elastic constants for bcc Li at zero temperature v006
ElasticConstantsCubic_diamond_Li__TE_996808638026_001 Elastic constants for diamond Li at zero temperature v001
ElasticConstantsCubic_fcc_Li__TE_286461032303_006 Elastic constants for fcc Li at zero temperature v006
ElasticConstantsCubic_sc_Li__TE_589428389686_006 Elastic constants for sc Li at zero temperature v006
ElasticConstantsHexagonal_hcp_Li__TE_572632976877_004 Elastic constants for hcp Li at zero temperature v004
EquilibriumCrystalStructure_A13B4_oP34_55_a3g3h_gh_LiSi__TE_632246299620_002 Equilibrium crystal structure and energy for LiSi in AFLOW crystal prototype A13B4_oP34_55_a3g3h_gh v002
EquilibriumCrystalStructure_A15B4_cI76_220_ae_c_LiSi__TE_335568777802_002 Equilibrium crystal structure and energy for LiSi in AFLOW crystal prototype A15B4_cI76_220_ae_c v002
EquilibriumCrystalStructure_A21B5_cF416_216_6efg4h_2efg_LiSi__TE_832024025674_002 Equilibrium crystal structure and energy for LiSi in AFLOW crystal prototype A21B5_cF416_216_6efg4h_2efg v002
EquilibriumCrystalStructure_A22B5_cF432_216_abcd6efg4h_2efg_LiSi__TE_707323747003_002 Equilibrium crystal structure and energy for LiSi in AFLOW crystal prototype A22B5_cF432_216_abcd6efg4h_2efg v002
EquilibriumCrystalStructure_A2B3_hR5_166_c_ac_AlLi__TE_401052630781_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype A2B3_hR5_166_c_ac v002
EquilibriumCrystalStructure_A2B3C_oC24_36_2a_3a_a_CsILi__TE_832313826003_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype A2B3C_oC24_36_2a_3a_a v001
EquilibriumCrystalStructure_A2B5C3_mC20_12_i_a2i_ci_CsILi__TE_308812745498_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype A2B5C3_mC20_12_i_a2i_ci v001
EquilibriumCrystalStructure_A2B5C3_oC20_38_ab_3a2b_2ab_CsFLi__TE_904611168490_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype A2B5C3_oC20_38_ab_3a2b_2ab v001
EquilibriumCrystalStructure_A2B_cF12_225_c_a_LiS__TE_743705974244_002 Equilibrium crystal structure and energy for LiS in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_hR6_166_2c_c_LiSi__TE_395058111017_002 Equilibrium crystal structure and energy for LiSi in AFLOW crystal prototype A2B_hR6_166_2c_c v002
EquilibriumCrystalStructure_A2B_oC12_36_2a_a_LiS__TE_990004345225_002 Equilibrium crystal structure and energy for LiS in AFLOW crystal prototype A2B_oC12_36_2a_a v002
EquilibriumCrystalStructure_A2B_oP12_62_2c_c_LiS__TE_397541789938_002 Equilibrium crystal structure and energy for LiS in AFLOW crystal prototype A2B_oP12_62_2c_c v002
EquilibriumCrystalStructure_A2BC_mC32_15_2ef_f_f_ClCsLi__TE_658951519540_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A2BC_mC32_15_2ef_f_f v001
EquilibriumCrystalStructure_A2BC_mC32_15_2ef_f_f_FLiRb__TE_506601615905_001 Equilibrium crystal structure and energy for FLiRb in AFLOW crystal prototype A2BC_mC32_15_2ef_f_f v001
EquilibriumCrystalStructure_A2BC_tP8_129_ac_c_c_ClCsLi__TE_521376508699_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A2BC_tP8_129_ac_c_c v001
EquilibriumCrystalStructure_A3B2C_oC24_63_cf_2c_c_ClCsLi__TE_699307103141_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A3B2C_oC24_63_cf_2c_c v001
EquilibriumCrystalStructure_A3B4C_mC32_12_3i_g3i_i_CsFLi__TE_656093043299_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype A3B4C_mC32_12_3i_g3i_i v001
EquilibriumCrystalStructure_A3B4C_mP16_11_a2e_2ef_e_CsILi__TE_535108341975_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype A3B4C_mP16_11_a2e_2ef_e v001
EquilibriumCrystalStructure_A3B5C2_tI20_139_ae_bde_e_CsFLi__TE_547766096141_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype A3B5C2_tI20_139_ae_bde_e v001
EquilibriumCrystalStructure_A3B_cP4_221_c_a_AlLi__TE_587456284614_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3BC2_oI12_71_af_b_e_BrCsLi__TE_574176730329_001 Equilibrium crystal structure and energy for BrCsLi in AFLOW crystal prototype A3BC2_oI12_71_af_b_e v001
EquilibriumCrystalStructure_A3BC2_oI12_71_af_b_e_ClCsLi__TE_124484172437_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A3BC2_oI12_71_af_b_e v001
EquilibriumCrystalStructure_A3BC2_oP24_60_cd_c_d_ClCsLi__TE_609019531518_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A3BC2_oP24_60_cd_c_d v001
EquilibriumCrystalStructure_A4B3C_oC16_38_abc_ac_b_ClCsLi__TE_920772142104_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A4B3C_oC16_38_abc_ac_b v001
EquilibriumCrystalStructure_A4B3C_oC32_20_2ac_bc_b_BrCsLi__TE_343207272815_001 Equilibrium crystal structure and energy for BrCsLi in AFLOW crystal prototype A4B3C_oC32_20_2ac_bc_b v001
EquilibriumCrystalStructure_A4B9_mC26_12_2i_a4i_AlLi__TE_249658631332_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype A4B9_mC26_12_2i_a4i v002
EquilibriumCrystalStructure_A4BC3_oC32_63_4c_c_3c_ClCsLi__TE_295058945347_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A4BC3_oC32_63_4c_c_3c v001
EquilibriumCrystalStructure_A5B3C2_mC20_8_a2b_ab_b_ClCsLi__TE_927787014546_001 Equilibrium crystal structure and energy for ClCsLi in AFLOW crystal prototype A5B3C2_mC20_8_a2b_ab_b v001
EquilibriumCrystalStructure_A7B2_oP36_55_ad3g3h_gh_LiSi__TE_046392293660_002 Equilibrium crystal structure and energy for LiSi in AFLOW crystal prototype A7B2_oP36_55_ad3g3h_gh v002
EquilibriumCrystalStructure_A7B3_hP60_153_2a6c_3c_LiSi__TE_840273688356_002 Equilibrium crystal structure and energy for LiSi in AFLOW crystal prototype A7B3_hP60_153_2a6c_3c v002
EquilibriumCrystalStructure_A_cF4_225_a_Li__TE_933356910080_002 Equilibrium crystal structure and energy for Li in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI16_220_c_Li__TE_938324790090_002 Equilibrium crystal structure and energy for Li in AFLOW crystal prototype A_cI16_220_c v002
EquilibriumCrystalStructure_A_cI2_229_a_Li__TE_058342468949_002 Equilibrium crystal structure and energy for Li in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_cP4_213_a_Li__TE_248370368451_002 Equilibrium crystal structure and energy for Li in AFLOW crystal prototype A_cP4_213_a v002
EquilibriumCrystalStructure_A_hP1_191_a_Li__TE_136207708734_002 Equilibrium crystal structure and energy for Li in AFLOW crystal prototype A_hP1_191_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Li__TE_818665344033_002 Equilibrium crystal structure and energy for Li in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_hR1_166_a_Li__TE_220557619033_002 Equilibrium crystal structure and energy for Li in AFLOW crystal prototype A_hR1_166_a v002
EquilibriumCrystalStructure_A_hR3_166_ac_Li__TE_029813141374_002 Equilibrium crystal structure and energy for Li in AFLOW crystal prototype A_hR3_166_ac v002
EquilibriumCrystalStructure_A_oP6_51_ak_Li__TE_870217253060_002 Equilibrium crystal structure and energy for Li in AFLOW crystal prototype A_oP6_51_ak v002
EquilibriumCrystalStructure_AB2C_mC32_15_f_2ef_f_CsFLi__TE_614913934020_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype AB2C_mC32_15_f_2ef_f v001
EquilibriumCrystalStructure_AB2C_oC32_36_2a_4a_2a_CsILi__TE_748843726034_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype AB2C_oC32_36_2a_4a_2a v001
EquilibriumCrystalStructure_AB4C3_mC32_12_i_gij_3i_CsFLi__TE_309606982610_001 Equilibrium crystal structure and energy for CsFLi in AFLOW crystal prototype AB4C3_mC32_12_i_gij_3i v001
EquilibriumCrystalStructure_AB4C3_mP16_6_2a_3a5b_3a3b_CsILi__TE_262961975396_001 Equilibrium crystal structure and energy for CsILi in AFLOW crystal prototype AB4C3_mP16_6_2a_3a5b_3a3b v001
EquilibriumCrystalStructure_AB_cF16_227_a_b_AlLi__TE_937936374136_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype AB_cF16_227_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_BrLi__TE_729989978182_002 Equilibrium crystal structure and energy for BrLi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_ClLi__TE_095199391698_002 Equilibrium crystal structure and energy for ClLi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FLi__TE_391312340071_002 Equilibrium crystal structure and energy for FLi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_ILi__TE_758074139902_002 Equilibrium crystal structure and energy for ILi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_LiS__TE_112319284858_002 Equilibrium crystal structure and energy for LiS in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_FLi__TE_476516786067_002 Equilibrium crystal structure and energy for FLi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_ILi__TE_761212334481_002 Equilibrium crystal structure and energy for ILi in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_a_ILi__TE_854771503509_002 Equilibrium crystal structure and energy for ILi in AFLOW crystal prototype AB_hP4_194_c_a v002
EquilibriumCrystalStructure_AB_hP8_194_bc_f_AlLi__TE_694787877778_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype AB_hP8_194_bc_f v002
EquilibriumCrystalStructure_AB_oC48_64_fg_def_AlLi__TE_245440295427_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype AB_oC48_64_fg_def v002
EquilibriumCrystalStructure_AB_tI32_88_f_f_LiSi__TE_489383911674_002 Equilibrium crystal structure and energy for LiSi in AFLOW crystal prototype AB_tI32_88_f_f v002
EquilibriumCrystalStructure_AB_tI8_141_a_b_AlLi__TE_365836642059_002 Equilibrium crystal structure and energy for AlLi in AFLOW crystal prototype AB_tI8_141_a_b v002
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Lithium_Cobalt_Oxide__TE_278739671768_000 Unconstrained equilibrium crystal structure and energy of Lithium Cobalt Oxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
LatticeConstantCubicEnergy_bcc_Li__TE_577737826534_007 Equilibrium zero-temperature lattice constant for bcc Li v007
LatticeConstantCubicEnergy_diamond_Li__TE_713375734600_007 Equilibrium zero-temperature lattice constant for diamond Li v007
LatticeConstantCubicEnergy_fcc_Li__TE_776729184295_007 Equilibrium zero-temperature lattice constant for fcc Li v007
LatticeConstantCubicEnergy_sc_Li__TE_263933162383_007 Equilibrium zero-temperature lattice constant for sc Li v007
LatticeConstantHexagonalEnergy_hcp_Li__TE_343831449774_005 Equilibrium lattice constants for hcp Li v005
LinearThermalExpansionCoeff_bcc_Li__TE_940119952339_002 Linear thermal expansion coefficient of bcc Li at 293.15 K under a pressure of 0 MPa v002
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Li__TE_567666532279_004 Broken-bond fit of high-symmetry surface energies in bcc Li v004
VacancyFormationEnergyRelaxationVolume_bcc_Li__TE_595259340274_001 Monovacancy formation energy and relaxation volume for bcc Li
VacancyFormationMigration_bcc_Li__TE_935257445423_001 Vacancy formation and migration energy for bcc Li
Lr
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Lr__TE_705416483781_004 Cohesive energy versus lattice constant curve for bcc Lr v004
CohesiveEnergyVsLatticeConstant_diamond_Lr__TE_608742550209_004 Cohesive energy versus lattice constant curve for diamond Lr v004
CohesiveEnergyVsLatticeConstant_fcc_Lr__TE_218458791259_004 Cohesive energy versus lattice constant curve for fcc Lr v004
CohesiveEnergyVsLatticeConstant_sc_Lr__TE_027343806306_004 Cohesive energy versus lattice constant curve for sc Lr v004
ElasticConstantsCubic_bcc_Lr__TE_725342251612_006 Elastic constants for bcc Lr at zero temperature v006
ElasticConstantsCubic_diamond_Lr__TE_156739267748_001 Elastic constants for diamond Lr at zero temperature v001
ElasticConstantsCubic_fcc_Lr__TE_342825499241_006 Elastic constants for fcc Lr at zero temperature v006
ElasticConstantsCubic_sc_Lr__TE_010842728087_006 Elastic constants for sc Lr at zero temperature v006
ElasticConstantsHexagonal_hcp_Lr__TE_683538539908_004 Elastic constants for hcp Lr at zero temperature v004
LatticeConstantCubicEnergy_bcc_Lr__TE_402187413648_007 Equilibrium zero-temperature lattice constant for bcc Lr v007
LatticeConstantCubicEnergy_diamond_Lr__TE_248578292200_007 Equilibrium zero-temperature lattice constant for diamond Lr v007
LatticeConstantCubicEnergy_fcc_Lr__TE_918891785562_007 Equilibrium zero-temperature lattice constant for fcc Lr v007
LatticeConstantCubicEnergy_sc_Lr__TE_837346199491_007 Equilibrium zero-temperature lattice constant for sc Lr v007
LatticeConstantHexagonalEnergy_hcp_Lr__TE_059113284092_005 Equilibrium lattice constants for hcp Lr v005
Lu
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Lu__TE_888863251026_004 Cohesive energy versus lattice constant curve for bcc Lu v004
CohesiveEnergyVsLatticeConstant_diamond_Lu__TE_381910691439_004 Cohesive energy versus lattice constant curve for diamond Lu v004
CohesiveEnergyVsLatticeConstant_fcc_Lu__TE_198487130912_004 Cohesive energy versus lattice constant curve for fcc Lu v004
CohesiveEnergyVsLatticeConstant_sc_Lu__TE_122090933967_004 Cohesive energy versus lattice constant curve for sc Lu v004
ElasticConstantsCubic_bcc_Lu__TE_461861049498_006 Elastic constants for bcc Lu at zero temperature v006
ElasticConstantsCubic_diamond_Lu__TE_614794187323_001 Elastic constants for diamond Lu at zero temperature v001
ElasticConstantsCubic_fcc_Lu__TE_506230414647_006 Elastic constants for fcc Lu at zero temperature v006
ElasticConstantsCubic_sc_Lu__TE_939974419140_006 Elastic constants for sc Lu at zero temperature v006
ElasticConstantsHexagonal_hcp_Lu__TE_990527343459_004 Elastic constants for hcp Lu at zero temperature v004
LatticeConstantCubicEnergy_bcc_Lu__TE_046571101795_007 Equilibrium zero-temperature lattice constant for bcc Lu v007
LatticeConstantCubicEnergy_diamond_Lu__TE_125774743322_007 Equilibrium zero-temperature lattice constant for diamond Lu v007
LatticeConstantCubicEnergy_fcc_Lu__TE_240299245671_007 Equilibrium zero-temperature lattice constant for fcc Lu v007
LatticeConstantCubicEnergy_sc_Lu__TE_166435476364_007 Equilibrium zero-temperature lattice constant for sc Lu v007
LatticeConstantHexagonalEnergy_hcp_Lu__TE_415949166651_005 Equilibrium lattice constants for hcp Lu v005
Md
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Md__TE_638508409588_004 Cohesive energy versus lattice constant curve for bcc Md v004
CohesiveEnergyVsLatticeConstant_diamond_Md__TE_730095524821_004 Cohesive energy versus lattice constant curve for diamond Md v004
CohesiveEnergyVsLatticeConstant_fcc_Md__TE_581181547886_004 Cohesive energy versus lattice constant curve for fcc Md v004
CohesiveEnergyVsLatticeConstant_sc_Md__TE_570400992001_004 Cohesive energy versus lattice constant curve for sc Md v004
ElasticConstantsCubic_bcc_Md__TE_139901710504_006 Elastic constants for bcc Md at zero temperature v006
ElasticConstantsCubic_diamond_Md__TE_239167318527_001 Elastic constants for diamond Md at zero temperature v001
ElasticConstantsCubic_fcc_Md__TE_277441026582_006 Elastic constants for fcc Md at zero temperature v006
ElasticConstantsCubic_sc_Md__TE_105270031641_006 Elastic constants for sc Md at zero temperature v006
ElasticConstantsHexagonal_hcp_Md__TE_170281171084_004 Elastic constants for hcp Md at zero temperature v004
LatticeConstantCubicEnergy_bcc_Md__TE_056215829816_007 Equilibrium zero-temperature lattice constant for bcc Md v007
LatticeConstantCubicEnergy_diamond_Md__TE_259264248476_007 Equilibrium zero-temperature lattice constant for diamond Md v007
LatticeConstantCubicEnergy_fcc_Md__TE_999937180647_007 Equilibrium zero-temperature lattice constant for fcc Md v007
LatticeConstantCubicEnergy_sc_Md__TE_907077624009_007 Equilibrium zero-temperature lattice constant for sc Md v007
LatticeConstantHexagonalEnergy_hcp_Md__TE_867058019986_005 Equilibrium lattice constants for hcp Md v005
Mg
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Mg__TE_555138003298_004 Cohesive energy versus lattice constant curve for bcc Mg v004
CohesiveEnergyVsLatticeConstant_diamond_Mg__TE_795988541571_004 Cohesive energy versus lattice constant curve for diamond Mg v004
CohesiveEnergyVsLatticeConstant_fcc_Mg__TE_862062376018_004 Cohesive energy versus lattice constant curve for fcc Mg v004
CohesiveEnergyVsLatticeConstant_sc_Mg__TE_107898901369_004 Cohesive energy versus lattice constant curve for sc Mg v004
ElasticConstantsCubic_bcc_Mg__TE_846282364500_006 Elastic constants for bcc Mg at zero temperature v006
ElasticConstantsCubic_diamond_Mg__TE_674278017674_001 Elastic constants for diamond Mg at zero temperature v001
ElasticConstantsCubic_fcc_Mg__TE_621868562408_006 Elastic constants for fcc Mg at zero temperature v006
ElasticConstantsCubic_sc_Mg__TE_777461579632_006 Elastic constants for sc Mg at zero temperature v006
ElasticConstantsHexagonal_hcp_Mg__TE_236620527686_004 Elastic constants for hcp Mg at zero temperature v004
EquilibriumCrystalStructure_A12B17_cI58_217_g_acg_AlMg__TE_719319890483_002 Equilibrium crystal structure and energy for AlMg in AFLOW crystal prototype A12B17_cI58_217_g_acg v002
EquilibriumCrystalStructure_A12B_tI26_139_fij_a_MgNd__TE_704017392719_002 Equilibrium crystal structure and energy for MgNd in AFLOW crystal prototype A12B_tI26_139_fij_a v002
EquilibriumCrystalStructure_A14B13_cI54_229_ef_ah_AlMg__TE_600340390354_002 Equilibrium crystal structure and energy for AlMg in AFLOW crystal prototype A14B13_cI54_229_ef_ah v002
EquilibriumCrystalStructure_A16B6C7_cF116_225_2f_e_ad_CuMgSi__TE_648346357888_001 Equilibrium crystal structure and energy for CuMgSi in AFLOW crystal prototype A16B6C7_cF116_225_2f_e_ad v001
EquilibriumCrystalStructure_A24B5_cI58_217_2g_ac_MgY__TE_538931193510_002 Equilibrium crystal structure and energy for MgY in AFLOW crystal prototype A24B5_cI58_217_2g_ac v002
EquilibriumCrystalStructure_A2B11_cP39_200_f_begik_MgZn__TE_595361439003_002 Equilibrium crystal structure and energy for MgZn in AFLOW crystal prototype A2B11_cP39_200_f_begik v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_HMg__TE_125038213496_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_MgPb__TE_793323705154_002 Equilibrium crystal structure and energy for MgPb in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_MgSi__TE_641084593034_002 Equilibrium crystal structure and energy for MgSi in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_MgSn__TE_174045613026_002 Equilibrium crystal structure and energy for MgSn in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CuMg__TE_381209059885_002 Equilibrium crystal structure and energy for CuMg in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_MgNd__TE_454434666644_002 Equilibrium crystal structure and energy for MgNd in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_MgSi__TE_473032309254_002 Equilibrium crystal structure and energy for MgSi in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_MgSn__TE_137745321607_002 Equilibrium crystal structure and energy for MgSn in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cP12_205_c_a_HMg__TE_736733720126_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_cP12_205_c_a v002
EquilibriumCrystalStructure_A2B_hP12_194_ah_f_MgY__TE_908721373757_002 Equilibrium crystal structure and energy for MgY in AFLOW crystal prototype A2B_hP12_194_ah_f v002
EquilibriumCrystalStructure_A2B_hP6_194_ac_d_MgSi__TE_389437924131_002 Equilibrium crystal structure and energy for MgSi in AFLOW crystal prototype A2B_hP6_194_ac_d v002
EquilibriumCrystalStructure_A2B_hP6_194_ac_d_MgSn__TE_880956263931_002 Equilibrium crystal structure and energy for MgSn in AFLOW crystal prototype A2B_hP6_194_ac_d v002
EquilibriumCrystalStructure_A2B_oP12_60_d_c_HMg__TE_336606188735_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_oP12_60_d_c v002
EquilibriumCrystalStructure_A2B_oP12_62_2c_c_HMg__TE_978552155803_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_oP12_62_2c_c v002
EquilibriumCrystalStructure_A2B_oP12_62_2c_c_MgPb__TE_291127328786_002 Equilibrium crystal structure and energy for MgPb in AFLOW crystal prototype A2B_oP12_62_2c_c v002
EquilibriumCrystalStructure_A2B_oP12_62_2c_c_MgSi__TE_942372324122_002 Equilibrium crystal structure and energy for MgSi in AFLOW crystal prototype A2B_oP12_62_2c_c v002
EquilibriumCrystalStructure_A2B_oP24_61_2c_c_HMg__TE_190738167179_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_oP24_61_2c_c v002
EquilibriumCrystalStructure_A2B_tI24_141_2e_e_AlMg__TE_954301918596_002 Equilibrium crystal structure and energy for AlMg in AFLOW crystal prototype A2B_tI24_141_2e_e v002
EquilibriumCrystalStructure_A2B_tP6_136_f_a_HMg__TE_449336517611_002 Equilibrium crystal structure and energy for HMg in AFLOW crystal prototype A2B_tP6_136_f_a v002
EquilibriumCrystalStructure_A2BC2_hP5_164_d_a_d_AlMgSi__TE_581718459499_001 Equilibrium crystal structure and energy for AlMgSi in AFLOW crystal prototype A2BC2_hP5_164_d_a_d v001
EquilibriumCrystalStructure_A2BC_oC16_63_f_c_c_AlCuMg__TE_361486192722_001 Equilibrium crystal structure and energy for AlCuMg in AFLOW crystal prototype A2BC_oC16_63_f_c_c v001
EquilibriumCrystalStructure_A30B23_hR53_148_5f_a2c3f_AlMg__TE_166495656448_002 Equilibrium crystal structure and energy for AlMg in AFLOW crystal prototype A30B23_hR53_148_5f_a2c3f v002
EquilibriumCrystalStructure_A3B2C_hP12_194_h_f_a_CuMgSi__TE_293439663107_001 Equilibrium crystal structure and energy for CuMgSi in AFLOW crystal prototype A3B2C_hP12_194_h_f_a v001
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_MgNd__TE_097206656689_002 Equilibrium crystal structure and energy for MgNd in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A4B13C29_hP92_194_ah_c2k_fhi2jk_CaMgZn__TE_681623192194_001 Equilibrium crystal structure and energy for CaMgZn in AFLOW crystal prototype A4B13C29_hP92_194_ah_c2k_fhi2jk v001
EquilibriumCrystalStructure_A4B19C15_oC152_63_h_c3f2g2h_aefg2h_AlMgZn__TE_635212050169_001 Equilibrium crystal structure and energy for AlMgZn in AFLOW crystal prototype A4B19C15_oC152_63_h_c3f2g2h_aefg2h v001
EquilibriumCrystalStructure_A4B2C3_hP18_194_ef_f_h_AlMgZn__TE_947006315503_001 Equilibrium crystal structure and energy for AlMgZn in AFLOW crystal prototype A4B2C3_hP18_194_ef_f_h v001
EquilibriumCrystalStructure_A4B7_mC110_12_10i_ae8i4j_MgZn__TE_665309917141_002 Equilibrium crystal structure and energy for MgZn in AFLOW crystal prototype A4B7_mC110_12_10i_ae8i4j v002
EquilibriumCrystalStructure_A5B6_mC22_12_a2i_3i_MgSi__TE_069185138469_002 Equilibrium crystal structure and energy for MgSi in AFLOW crystal prototype A5B6_mC22_12_a2i_3i v002
EquilibriumCrystalStructure_A5B6C2_cP39_200_bfi_ek_g_AlCuMg__TE_407375971320_001 Equilibrium crystal structure and energy for AlCuMg in AFLOW crystal prototype A5B6C2_cP39_200_bfi_ek_g v001
EquilibriumCrystalStructure_A67B41_cP108_221_aeh2il_cfgm_AlMg__TE_245130600046_002 Equilibrium crystal structure and energy for AlMg in AFLOW crystal prototype A67B41_cP108_221_aeh2il_cfgm v002
EquilibriumCrystalStructure_A8BC3D6_hP18_189_agh_b_f_i_AlFeMgSi__TE_988195642596_001 Equilibrium crystal structure and energy for AlFeMgSi in AFLOW crystal prototype A8BC3D6_hP18_189_agh_b_f_i v001
EquilibriumCrystalStructure_A9B5_hP28_176_hi_cef_MgSi__TE_841818187838_002 Equilibrium crystal structure and energy for MgSi in AFLOW crystal prototype A9B5_hP28_176_hi_cef v002
EquilibriumCrystalStructure_A9B5_hR28_146_6b_4a2b_MgSn__TE_056529078450_002 Equilibrium crystal structure and energy for MgSn in AFLOW crystal prototype A9B5_hR28_146_6b_4a2b v002
EquilibriumCrystalStructure_A9BC3D5_hP18_189_fi_a_g_bh_AlFeMgSi__TE_381199609772_001 Equilibrium crystal structure and energy for AlFeMgSi in AFLOW crystal prototype A9BC3D5_hP18_189_fi_a_g_bh v001
EquilibriumCrystalStructure_A_cF4_225_a_Mg__TE_590745503895_002 Equilibrium crystal structure and energy for Mg in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Mg__TE_990942889070_002 Equilibrium crystal structure and energy for Mg in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Mg__TE_230375961659_002 Equilibrium crystal structure and energy for Mg in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_AB2_cP12_205_a_c_MgO__TE_662296765642_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB2_cP12_205_a_c v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_CaMg__TE_799863217483_002 Equilibrium crystal structure and energy for CaMg in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_MgZn__TE_114498071583_002 Equilibrium crystal structure and energy for MgZn in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_oC12_63_c_ac_MgZn__TE_493967227107_002 Equilibrium crystal structure and energy for MgZn in AFLOW crystal prototype AB2_oC12_63_c_ac v002
EquilibriumCrystalStructure_AB2_oF48_70_e_ef_CuMg__TE_275818889190_002 Equilibrium crystal structure and energy for CuMg in AFLOW crystal prototype AB2_oF48_70_e_ef v002
EquilibriumCrystalStructure_AB4C6_mC22_12_a_2i_3i_AlMgSi__TE_572375856036_001 Equilibrium crystal structure and energy for AlMgSi in AFLOW crystal prototype AB4C6_mC22_12_a_2i_3i v001
EquilibriumCrystalStructure_AB5_mC48_12_2i_ac5i2j_MgZn__TE_424189484279_002 Equilibrium crystal structure and energy for MgZn in AFLOW crystal prototype AB5_mC48_12_2i_ac5i2j v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_MgO__TE_353772948771_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP12_223_c_d_MgO__TE_134550280608_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_cP12_223_c_d v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_MgNd__TE_969630478446_002 Equilibrium crystal structure and energy for MgNd in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_MgY__TE_131225114292_002 Equilibrium crystal structure and energy for MgY in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_hP24_192_l_l_MgO__TE_021346012028_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hP24_192_l_l v002
EquilibriumCrystalStructure_AB_hP24_194_ab2f_e2f_MgO__TE_903676808720_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hP24_194_ab2f_e2f v002
EquilibriumCrystalStructure_AB_hP2_187_a_d_MgO__TE_877172999213_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hP2_187_a_d v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_MgO__TE_936470819826_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_d_MgO__TE_578443569646_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hP4_194_c_d v002
EquilibriumCrystalStructure_AB_hR16_166_ab3c_4c_MgO__TE_482144107767_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hR16_166_ab3c_4c v002
EquilibriumCrystalStructure_AB_mC48_15_3f_3f_MgO__TE_134752378381_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_mC48_15_3f_3f v002
EquilibriumCrystalStructure_AB_mC48_8_12a_12a_MgO__TE_198108072200_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_mC48_8_12a_12a v002
EquilibriumCrystalStructure_AB_oI32_72_2j_2j_MgO__TE_046630733663_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_oI32_72_2j_2j v002
EquilibriumCrystalStructure_AB_oI48_44_6c_abc2de_MgZn__TE_163849325772_002 Equilibrium crystal structure and energy for MgZn in AFLOW crystal prototype AB_oI48_44_6c_abc2de v002
EquilibriumCrystalStructure_AB_oI48_72_3j_3j_MgO__TE_944208837287_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_oI48_72_3j_3j v002
EquilibriumCrystalStructure_ABC_oP12_62_c_c_c_AlMgSi__TE_637410432538_001 Equilibrium crystal structure and energy for AlMgSi in AFLOW crystal prototype ABC_oP12_62_c_c_c v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Magnesium_Hydroxide__TE_760940522921_000 Unconstrained equilibrium crystal structure and energy of Magnesium Hydroxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Magnesium_Oxide__TE_400345532746_000 Unconstrained equilibrium crystal structure and energy of Magnesium Oxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_cP12_205_a_c_MgO__TE_068755949348_000 Unconstrained equilibrium crystal structure and energy of AB2_cP12_205_a_c:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_cF8_225_a_b_MgO__TE_816421242166_000 Unconstrained equilibrium crystal structure and energy of AB_cF8_225_a_b:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_cP12_223_c_d_MgO__TE_312580027644_000 Unconstrained equilibrium crystal structure and energy of AB_cP12_223_c_d:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_hP24_192_l_l_MgO__TE_340085167281_000 Unconstrained equilibrium crystal structure and energy of AB_hP24_192_l_l:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_hP24_194_ab2f_e2f_MgO__TE_434184180552_000 Unconstrained equilibrium crystal structure and energy of AB_hP24_194_ab2f_e2f:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_hP2_187_a_d_MgO__TE_069188318101_000 Unconstrained equilibrium crystal structure and energy of AB_hP2_187_a_d:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_hP4_186_b_b_MgO__TE_647349572898_000 Unconstrained equilibrium crystal structure and energy of AB_hP4_186_b_b:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_hP4_194_c_d_MgO__TE_140848426356_000 Unconstrained equilibrium crystal structure and energy of AB_hP4_194_c_d:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_hR16_166_ab3c_4c_MgO__TE_050458331662_000 Unconstrained equilibrium crystal structure and energy of AB_hR16_166_ab3c_4c:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_mC48_15_3f_3f_MgO__TE_602605063148_000 Unconstrained equilibrium crystal structure and energy of AB_mC48_15_3f_3f:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_mC48_8_12a_12a_MgO__TE_631244022605_000 Unconstrained equilibrium crystal structure and energy of AB_mC48_8_12a_12a:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_oI32_72_2j_2j_MgO__TE_486018722972_000 Unconstrained equilibrium crystal structure and energy of AB_oI32_72_2j_2j:Mg:O expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_oI48_72_3j_3j_MgO__TE_006933107939_000 Unconstrained equilibrium crystal structure and energy of AB_oI48_72_3j_3j:Mg:O expressed in core-shell atom types and bonding v000
LatticeConstantCubicEnergy_bcc_Mg__TE_636886550155_007 Equilibrium zero-temperature lattice constant for bcc Mg v007
LatticeConstantCubicEnergy_diamond_Mg__TE_547110175880_007 Equilibrium zero-temperature lattice constant for diamond Mg v007
LatticeConstantCubicEnergy_fcc_Mg__TE_950830542105_007 Equilibrium zero-temperature lattice constant for fcc Mg v007
LatticeConstantCubicEnergy_sc_Mg__TE_952926914526_007 Equilibrium zero-temperature lattice constant for sc Mg v007
LatticeConstantHexagonalEnergy_hcp_Mg__TE_618763790795_005 Equilibrium lattice constants for hcp Mg v005
VacancyFormationEnergyRelaxationVolume_hcp_Mg__TE_169055830505_001 Monovacancy formation energy and relaxation volume for hcp Mg
VacancyFormationMigration_hcp_Mg__TE_510743441348_001 Vacancy formation and migration energy for hcp Mg
Mn
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Mn__TE_275655712606_004 Cohesive energy versus lattice constant curve for bcc Mn v004
CohesiveEnergyVsLatticeConstant_diamond_Mn__TE_175241940592_004 Cohesive energy versus lattice constant curve for diamond Mn v004
CohesiveEnergyVsLatticeConstant_fcc_Mn__TE_742333123484_004 Cohesive energy versus lattice constant curve for fcc Mn v004
CohesiveEnergyVsLatticeConstant_sc_Mn__TE_866417168486_004 Cohesive energy versus lattice constant curve for sc Mn v004
ElasticConstantsCubic_bcc_Mn__TE_176389783817_006 Elastic constants for bcc Mn at zero temperature v006
ElasticConstantsCubic_diamond_Mn__TE_362575405667_001 Elastic constants for diamond Mn at zero temperature v001
ElasticConstantsCubic_fcc_Mn__TE_617003407398_006 Elastic constants for fcc Mn at zero temperature v006
ElasticConstantsCubic_sc_Mn__TE_786191422713_006 Elastic constants for sc Mn at zero temperature v006
ElasticConstantsHexagonal_hcp_Mn__TE_597776710222_004 Elastic constants for hcp Mn at zero temperature v004
EquilibriumCrystalStructure_A10B3_hP26_194_ahk_h_AlMn__TE_188364898751_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype A10B3_hP26_194_ahk_h v002
EquilibriumCrystalStructure_A11B21_tP32_123_aejk_bcdfst_MnPd__TE_376099657523_002 Equilibrium crystal structure and energy for MnPd in AFLOW crystal prototype A11B21_tP32_123_aejk_bcdfst v002
EquilibriumCrystalStructure_A11B4_aP15_2_a5i_2i_AlMn__TE_287373532778_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype A11B4_aP15_2_a5i_2i v002
EquilibriumCrystalStructure_A12B_cI26_204_g_a_AlMn__TE_587410593507_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype A12B_cI26_204_g_a v002
EquilibriumCrystalStructure_A19B4_cP138_200_efh2j2k2l_jk_AlMn__TE_616033237869_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype A19B4_cP138_200_efh2j2k2l_jk v002
EquilibriumCrystalStructure_A2B3_cI80_206_ad_e_MnO__TE_636513606527_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype A2B3_cI80_206_ad_e v002
EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CMn__TE_854726940262_002 Equilibrium crystal structure and energy for CMn in AFLOW crystal prototype A2B5_mC28_15_f_e2f v002
EquilibriumCrystalStructure_A2BC_cF16_225_c_a_b_FeMnSi__TE_403881537096_001 Equilibrium crystal structure and energy for FeMnSi in AFLOW crystal prototype A2BC_cF16_225_c_a_b v001
EquilibriumCrystalStructure_A3B4_oP28_57_de_cde_MnO__TE_588551537319_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype A3B4_oP28_57_de_cde v002
EquilibriumCrystalStructure_A3B4_tI28_141_ad_h_MnO__TE_730182738537_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype A3B4_tI28_141_ad_h v002
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_MnSi__TE_231418703296_002 Equilibrium crystal structure and energy for MnSi in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoMn__TE_744929980730_002 Equilibrium crystal structure and energy for CoMn in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A4B7_tP44_116_ach2i_e3j_MnSi__TE_827456993195_002 Equilibrium crystal structure and energy for MnSi in AFLOW crystal prototype A4B7_tP44_116_ach2i_e3j v002
EquilibriumCrystalStructure_A5B3_hP16_193_dg_g_MnSi__TE_084226353280_002 Equilibrium crystal structure and energy for MnSi in AFLOW crystal prototype A5B3_hP16_193_dg_g v002
EquilibriumCrystalStructure_A5B3_oC32_63_ceg_cg_MnSi__TE_122917163763_002 Equilibrium crystal structure and energy for MnSi in AFLOW crystal prototype A5B3_oC32_63_ceg_cg v002
EquilibriumCrystalStructure_A5B8_mC26_12_ahi_2ij_MnO__TE_438832288869_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype A5B8_mC26_12_ahi_2ij v002
EquilibriumCrystalStructure_A6B23_cF116_225_e_acfh_CMn__TE_403769113103_002 Equilibrium crystal structure and energy for CMn in AFLOW crystal prototype A6B23_cF116_225_e_acfh v002
EquilibriumCrystalStructure_A6B_oC28_63_efg_c_AlMn__TE_051655404668_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype A6B_oC28_63_efg_c v002
EquilibriumCrystalStructure_A_cF4_225_a_Mn__TE_152128282795_002 Equilibrium crystal structure and energy for Mn in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI58_217_ac2g_Mn__TE_394663977930_002 Equilibrium crystal structure and energy for Mn in AFLOW crystal prototype A_cI58_217_ac2g v002
EquilibriumCrystalStructure_A_cP20_213_cd_Mn__TE_750044620063_002 Equilibrium crystal structure and energy for Mn in AFLOW crystal prototype A_cP20_213_cd v002
EquilibriumCrystalStructure_AB2_mC18_12_ai_3i_MnO__TE_787016999889_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB2_mC18_12_ai_3i v002
EquilibriumCrystalStructure_AB2_oP12_59_e_2e_MnO__TE_187198003110_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB2_oP12_59_e_2e v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_MnO__TE_343901562954_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_MnPd__TE_828930955335_002 Equilibrium crystal structure and energy for MnPd in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_tI24_87_h_2h_MnO__TE_934868602251_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB2_tI24_87_h_2h v002
EquilibriumCrystalStructure_AB2_tP6_136_a_f_MnO__TE_138901891009_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB2_tP6_136_a_f v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlMn__TE_590404298412_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_MnNi__TE_489884520392_002 Equilibrium crystal structure and energy for MnNi in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_oP16_62_c_cd_CMn__TE_964181297613_002 Equilibrium crystal structure and energy for CMn in AFLOW crystal prototype AB3_oP16_62_c_cd v002
EquilibriumCrystalStructure_AB3_tI16_139_e_cde_MnPd__TE_781618460798_002 Equilibrium crystal structure and energy for MnPd in AFLOW crystal prototype AB3_tI16_139_e_cde v002
EquilibriumCrystalStructure_AB6_cF112_227_c_def_CMn__TE_045908769172_002 Equilibrium crystal structure and energy for CMn in AFLOW crystal prototype AB6_cF112_227_c_def v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_MnO__TE_170109399829_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoMn__TE_667915210343_002 Equilibrium crystal structure and energy for CoMn in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_MnNi__TE_332848247395_002 Equilibrium crystal structure and energy for MnNi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_MnPd__TE_323787149577_002 Equilibrium crystal structure and energy for MnPd in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP8_198_a_a_MnSi__TE_966923908225_002 Equilibrium crystal structure and energy for MnSi in AFLOW crystal prototype AB_cP8_198_a_a v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_MnO__TE_530460324804_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_AlMn__TE_977738886430_002 Equilibrium crystal structure and energy for AlMn in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_MnPd__TE_605929147001_002 Equilibrium crystal structure and energy for MnPd in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_ABC2_cF16_225_a_b_c_AlMnPd__TE_818334937894_001 Equilibrium crystal structure and energy for AlMnPd in AFLOW crystal prototype ABC2_cF16_225_a_b_c v001
LatticeConstantCubicEnergy_bcc_Mn__TE_161543821942_007 Equilibrium zero-temperature lattice constant for bcc Mn v007
LatticeConstantCubicEnergy_diamond_Mn__TE_768298472381_007 Equilibrium zero-temperature lattice constant for diamond Mn v007
LatticeConstantCubicEnergy_fcc_Mn__TE_872160098419_007 Equilibrium zero-temperature lattice constant for fcc Mn v007
LatticeConstantCubicEnergy_sc_Mn__TE_180066487285_007 Equilibrium zero-temperature lattice constant for sc Mn v007
LatticeConstantHexagonalEnergy_hcp_Mn__TE_601018593080_005 Equilibrium lattice constants for hcp Mn v005
VacancyFormationEnergyRelaxationVolume_bcc_Mn__TE_855656445661_001 Monovacancy formation energy and relaxation volume for bcc Mn
VacancyFormationMigration_bcc_Mn__TE_003719897900_001 Vacancy formation and migration energy for bcc Mn
Mo
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Mo__TE_903593174145_004 Cohesive energy versus lattice constant curve for bcc Mo v004
CohesiveEnergyVsLatticeConstant_diamond_Mo__TE_332233266787_004 Cohesive energy versus lattice constant curve for diamond Mo v004
CohesiveEnergyVsLatticeConstant_fcc_Mo__TE_408532402297_004 Cohesive energy versus lattice constant curve for fcc Mo v004
CohesiveEnergyVsLatticeConstant_sc_Mo__TE_951306870292_004 Cohesive energy versus lattice constant curve for sc Mo v004
ElasticConstantsCubic_bcc_Mo__TE_454217749882_006 Elastic constants for bcc Mo at zero temperature v006
ElasticConstantsCubic_diamond_Mo__TE_570029845150_001 Elastic constants for diamond Mo at zero temperature v001
ElasticConstantsCubic_fcc_Mo__TE_425639580159_006 Elastic constants for fcc Mo at zero temperature v006
ElasticConstantsCubic_sc_Mo__TE_959738251850_006 Elastic constants for sc Mo at zero temperature v006
ElasticConstantsHexagonal_hcp_Mo__TE_040254693124_004 Elastic constants for hcp Mo at zero temperature v004
EquilibriumCrystalStructure_A15B19_hP68_176_h2i_efh2i_MoS__TE_925684083409_002 Equilibrium crystal structure and energy for MoS in AFLOW crystal prototype A15B19_hP68_176_h2i_efh2i v002
EquilibriumCrystalStructure_A15B19_hP68_176_h2i_efh2i_MoSe__TE_351319834357_002 Equilibrium crystal structure and energy for MoSe in AFLOW crystal prototype A15B19_hP68_176_h2i_efh2i v002
EquilibriumCrystalStructure_A2B3_mP10_11_2e_3e_MoS__TE_799785256328_002 Equilibrium crystal structure and energy for MoS in AFLOW crystal prototype A2B3_mP10_11_2e_3e v002
EquilibriumCrystalStructure_A3B4_hR14_148_f_cf_MoS__TE_095474793668_002 Equilibrium crystal structure and energy for MoS in AFLOW crystal prototype A3B4_hR14_148_f_cf v002
EquilibriumCrystalStructure_A3B4_hR14_148_f_cf_MoSe__TE_064367646382_002 Equilibrium crystal structure and energy for MoSe in AFLOW crystal prototype A3B4_hR14_148_f_cf v002
EquilibriumCrystalStructure_A3B_cP8_223_c_a_MoPt__TE_220337676628_002 Equilibrium crystal structure and energy for MoPt in AFLOW crystal prototype A3B_cP8_223_c_a v002
EquilibriumCrystalStructure_A9B11_hP40_176_hi_fhi_MoSe__TE_961643343059_002 Equilibrium crystal structure and energy for MoSe in AFLOW crystal prototype A9B11_hP40_176_hi_fhi v002
EquilibriumCrystalStructure_A9B11_oC80_63_cfgh_cf2gh_MoSe__TE_578154729158_002 Equilibrium crystal structure and energy for MoSe in AFLOW crystal prototype A9B11_oC80_63_cfgh_cf2gh v002
EquilibriumCrystalStructure_A_cF4_225_a_Mo__TE_128274310268_002 Equilibrium crystal structure and energy for Mo in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Mo__TE_313831422432_002 Equilibrium crystal structure and energy for Mo in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP1_191_a_Mo__TE_860849667698_002 Equilibrium crystal structure and energy for Mo in AFLOW crystal prototype A_hP1_191_a v002
EquilibriumCrystalStructure_A_hP4_194_ac_Mo__TE_903372730078_002 Equilibrium crystal structure and energy for Mo in AFLOW crystal prototype A_hP4_194_ac v002
EquilibriumCrystalStructure_AB2_hP6_194_b_f_MoS__TE_795076559342_002 Equilibrium crystal structure and energy for MoS in AFLOW crystal prototype AB2_hP6_194_b_f v002
EquilibriumCrystalStructure_AB2_hP6_194_b_f_MoSe__TE_599174393887_002 Equilibrium crystal structure and energy for MoSe in AFLOW crystal prototype AB2_hP6_194_b_f v002
EquilibriumCrystalStructure_AB2_hP6_194_c_f_MoS__TE_706752225511_002 Equilibrium crystal structure and energy for MoS in AFLOW crystal prototype AB2_hP6_194_c_f v002
EquilibriumCrystalStructure_AB2_hP6_194_c_f_MoSe__TE_934058258211_002 Equilibrium crystal structure and energy for MoSe in AFLOW crystal prototype AB2_hP6_194_c_f v002
EquilibriumCrystalStructure_AB2_hR3_160_a_2a_MoS__TE_240753861290_002 Equilibrium crystal structure and energy for MoS in AFLOW crystal prototype AB2_hR3_160_a_2a v002
EquilibriumCrystalStructure_AB2_hR3_160_a_2a_MoSe__TE_270605562162_002 Equilibrium crystal structure and energy for MoSe in AFLOW crystal prototype AB2_hR3_160_a_2a v002
EquilibriumCrystalStructure_AB2_hR3_166_a_c_MoS__TE_211691301394_002 Equilibrium crystal structure and energy for MoS in AFLOW crystal prototype AB2_hR3_166_a_c v002
EquilibriumCrystalStructure_AB2_oI6_71_a_e_MoPt__TE_993849734224_002 Equilibrium crystal structure and energy for MoPt in AFLOW crystal prototype AB2_oI6_71_a_e v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_MoU__TE_339896492099_002 Equilibrium crystal structure and energy for MoU in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_MoPt__TE_730626171105_002 Equilibrium crystal structure and energy for MoPt in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_oP8_59_a_be_MoNi__TE_442136190346_002 Equilibrium crystal structure and energy for MoNi in AFLOW crystal prototype AB3_oP8_59_a_be v002
EquilibriumCrystalStructure_AB4_tI10_87_a_h_MoNi__TE_141865518829_002 Equilibrium crystal structure and energy for MoNi in AFLOW crystal prototype AB4_tI10_87_a_h v002
EquilibriumCrystalStructure_AB_oP4_51_e_f_MoPt__TE_410940414300_002 Equilibrium crystal structure and energy for MoPt in AFLOW crystal prototype AB_oP4_51_e_f v002
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Molybdenum_Disulfide__TE_872188620196_000 Unconstrained equilibrium crystal structure and energy of Molybdenum Disulfide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Mo__TE_529178526487_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Mo v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc110_Mo__TE_671775543629_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in bcc Mo v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc111_Mo__TE_107990591816_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in bcc Mo v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc112_Mo__TE_568499993431_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in bcc Mo v001
LatticeConstantCubicEnergy_bcc_Mo__TE_279386991452_007 Equilibrium zero-temperature lattice constant for bcc Mo v007
LatticeConstantCubicEnergy_diamond_Mo__TE_055175214741_007 Equilibrium zero-temperature lattice constant for diamond Mo v007
LatticeConstantCubicEnergy_fcc_Mo__TE_434577360861_007 Equilibrium zero-temperature lattice constant for fcc Mo v007
LatticeConstantCubicEnergy_sc_Mo__TE_877374933970_007 Equilibrium zero-temperature lattice constant for sc Mo v007
LatticeConstantHexagonalEnergy_hcp_Mo__TE_965423669120_005 Equilibrium lattice constants for hcp Mo v005
LinearThermalExpansionCoeff_bcc_Mo__TE_653330286461_002 Linear thermal expansion coefficient of bcc Mo at 293.15 K under a pressure of 0 MPa v002
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Mo__TE_336897536534_004 Broken-bond fit of high-symmetry surface energies in bcc Mo v004
VacancyFormationEnergyRelaxationVolume_bcc_Mo__TE_550457961151_001 Monovacancy formation energy and relaxation volume for bcc Mo
VacancyFormationMigration_bcc_Mo__TE_307021336684_001 Vacancy formation and migration energy for bcc Mo
N
Test Title
CohesiveEnergyVsLatticeConstant_bcc_N__TE_898324402903_004 Cohesive energy versus lattice constant curve for bcc N v004
CohesiveEnergyVsLatticeConstant_diamond_N__TE_456700639184_004 Cohesive energy versus lattice constant curve for diamond N v004
CohesiveEnergyVsLatticeConstant_fcc_N__TE_545694115193_004 Cohesive energy versus lattice constant curve for fcc N v004
CohesiveEnergyVsLatticeConstant_sc_N__TE_283273116367_004 Cohesive energy versus lattice constant curve for sc N v004
ElasticConstantsCubic_bcc_N__TE_793923119557_006 Elastic constants for bcc N at zero temperature v006
ElasticConstantsCubic_diamond_N__TE_553201632714_001 Elastic constants for diamond N at zero temperature v001
ElasticConstantsCubic_fcc_N__TE_320719669104_006 Elastic constants for fcc N at zero temperature v006
ElasticConstantsCubic_sc_N__TE_205493877097_006 Elastic constants for sc N at zero temperature v006
ElasticConstantsHexagonal_hcp_N__TE_854418572853_004 Elastic constants for hcp N at zero temperature v004
EquilibriumCrystalStructure_A11B4_oP15_16_abcjku_u_CN__TE_823460845504_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A11B4_oP15_16_abcjku_u v002
EquilibriumCrystalStructure_A11B4_tP15_111_abcmn_n_CN__TE_507095464218_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A11B4_tP15_111_abcmn_n v002
EquilibriumCrystalStructure_A13B2_hR15_166_a2h_c_BN__TE_015904843039_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype A13B2_hR15_166_a2h_c v002
EquilibriumCrystalStructure_A2B10C2D5_oP38_18_c_5c_c_a2c_CHNO__TE_506793158318_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B10C2D5_oP38_18_c_5c_c_a2c v001
EquilibriumCrystalStructure_A2B12C14D_mP58_13_g_6g_7g_e_CHNO__TE_476444307518_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B12C14D_mP58_13_g_6g_7g_e v001
EquilibriumCrystalStructure_A2B2C2D_oP28_62_2c_2c_2c_c_CHNO__TE_282668712810_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B2C2D_oP28_62_2c_2c_2c_c v001
EquilibriumCrystalStructure_A2B3_oP20_19_2a_3a_NO__TE_542682942036_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype A2B3_oP20_19_2a_3a v002
EquilibriumCrystalStructure_A2B4CD2_mC36_12_2i_2j_g_j_CHNO__TE_242691144298_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B4CD2_mC36_12_2i_2j_g_j v001
EquilibriumCrystalStructure_A2B5_hP14_194_bc_fh_NO__TE_109700407269_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype A2B5_hP14_194_bc_fh v002
EquilibriumCrystalStructure_A2B5CD4_mP48_14_2e_5e_e_4e_CHNO__TE_154149627579_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B5CD4_mP48_14_2e_5e_e_4e v001
EquilibriumCrystalStructure_A2B5CD_hR54_161_2b_5b_b_b_CHNO__TE_288919937723_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B5CD_hR54_161_2b_5b_b_b v001
EquilibriumCrystalStructure_A2B6C4D_mP52_14_2e_6e_4e_e_CHNO__TE_394016799744_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B6C4D_mP52_14_2e_6e_4e_e v001
EquilibriumCrystalStructure_A2B6CD_oP40_59_ef_ef2g_ab_e_CHNO__TE_206186125589_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B6CD_oP40_59_ef_ef2g_ab_e v001
EquilibriumCrystalStructure_A2B7C7D6_aP44_2_2i_7i_7i_6i_CHNO__TE_873344092083_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B7C7D6_aP44_2_2i_7i_7i_6i v001
EquilibriumCrystalStructure_A2B8C2D3_oP60_33_2a_8a_2a_3a_CHNO__TE_013126159028_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C2D3_oP60_33_2a_8a_2a_3a v001
EquilibriumCrystalStructure_A2B8C6D3_mP76_14_2e_8e_6e_3e_CHNO__TE_627320406759_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C6D3_mP76_14_2e_8e_6e_3e v001
EquilibriumCrystalStructure_A2B8C6D7_mC92_15_2e_4f_2e2f_e3f_CHNO__TE_215701241474_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C6D7_mC92_15_2e_4f_2e2f_e3f v001
EquilibriumCrystalStructure_A2B8C_oP88_19_4a_16a_2a_BHN__TE_317613411116_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype A2B8C_oP88_19_4a_16a_2a v001
EquilibriumCrystalStructure_A2B9C11D8_mC120_15_f_e4f_e5f_4f_CHNO__TE_357033213726_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C11D8_mC120_15_f_e4f_e5f_4f v001
EquilibriumCrystalStructure_A2B9C3D3_oP68_33_2a_9a_3a_3a_CHNO__TE_165371576078_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C3D3_oP68_33_2a_9a_3a_3a v001
EquilibriumCrystalStructure_A2B9C7D6_oP96_29_2a_9a_7a_6a_CHNO__TE_636090065077_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C7D6_oP96_29_2a_9a_7a_6a v001
EquilibriumCrystalStructure_A2B9C9D6_aP52_2_2i_9i_9i_6i_CHNO__TE_850841302444_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C9D6_aP52_2_2i_9i_9i_6i v001
EquilibriumCrystalStructure_A2B_cF12_225_c_a_NU__TE_092734621094_002 Equilibrium crystal structure and energy for NU in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cP12_205_c_a_NO__TE_295695924535_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype A2B_cP12_205_c_a v002
EquilibriumCrystalStructure_A2B_cP72_205_2d_d_CN__TE_050827134382_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A2B_cP72_205_2d_d v002
EquilibriumCrystalStructure_A2B_mC18_12_ij_ah_FeN__TE_449496836466_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A2B_mC18_12_ij_ah v002
EquilibriumCrystalStructure_A2B_mC18_5_3c_2ab_FeN__TE_810862004310_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A2B_mC18_5_3c_2ab v002
EquilibriumCrystalStructure_A2B_oP12_29_2a_a_FeN__TE_003434178768_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A2B_oP12_29_2a_a v002
EquilibriumCrystalStructure_A2B_oP12_60_d_c_FeN__TE_244507272350_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A2B_oP12_60_d_c v002
EquilibriumCrystalStructure_A2BC3_oC24_36_b_a_ab_CHN__TE_407680374282_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype A2BC3_oC24_36_b_a_ab v001
EquilibriumCrystalStructure_A2BC_hP4_156_ab_a_b_BCN__TE_706166553683_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_hP4_156_ab_a_b v001
EquilibriumCrystalStructure_A2BC_hR4_160_2a_a_a_BCN__TE_976678189184_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_hR4_160_2a_a_a v001
EquilibriumCrystalStructure_A2BC_oP8_25_2abd_cd_bc_BCN__TE_616460869466_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_oP8_25_2abd_cd_bc v001
EquilibriumCrystalStructure_A2BC_oP8_51_ef_e_f_BCN__TE_736786511365_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_oP8_51_ef_e_f v001
EquilibriumCrystalStructure_A2BC_tP4_115_g_a_c_BCN__TE_799541299325_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A2BC_tP4_115_g_a_c v001
EquilibriumCrystalStructure_A3B10C3_oP32_51_2ef_e3f3k_ek_BCN__TE_603582464119_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype A3B10C3_oP32_51_2ef_e3f3k_ek v001
EquilibriumCrystalStructure_A3B12C_oC64_63_cf_2f2gh_c_BHN__TE_174394553193_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype A3B12C_oC64_63_cf_2f2gh_c v001
EquilibriumCrystalStructure_A3B20C4D10_oF148_42_ac_2c4e_e_2a4c_CHNO__TE_503683569064_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B20C4D10_oF148_42_ac_2c4e_e_2a4c v001
EquilibriumCrystalStructure_A3B2_cI80_206_e_ad_NU__TE_394308771335_002 Equilibrium crystal structure and energy for NU in AFLOW crystal prototype A3B2_cI80_206_e_ad v002
EquilibriumCrystalStructure_A3B2_cP20_215_i_2e_CN__TE_506784574792_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B2_cP20_215_i_2e v002
EquilibriumCrystalStructure_A3B2_cP20_221_j_g_CN__TE_800938880199_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B2_cP20_221_j_g v002
EquilibriumCrystalStructure_A3B2_hP5_164_ad_d_NU__TE_609721277779_002 Equilibrium crystal structure and energy for NU in AFLOW crystal prototype A3B2_hP5_164_ad_d v002
EquilibriumCrystalStructure_A3B4_cF56_227_ad_e_CN__TE_228228819275_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_cF56_227_ad_e v002
EquilibriumCrystalStructure_A3B4_cI28_220_a_c_CN__TE_352425132778_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_cI28_220_a_c v002
EquilibriumCrystalStructure_A3B4_cP7_215_c_e_CN__TE_353290416839_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_cP7_215_c_e v002
EquilibriumCrystalStructure_A3B4_hP14_176_h_ch_CN__TE_216211219063_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_hP14_176_h_ch v002
EquilibriumCrystalStructure_A3B4_hP14_187_jk_adjk_CN__TE_900450979199_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_hP14_187_jk_adjk v002
EquilibriumCrystalStructure_A3B4_hP28_159_2c_ab2c_CN__TE_001914288846_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_hP28_159_2c_ab2c v002
EquilibriumCrystalStructure_A3B4_hR7_160_b_ab_CN__TE_078134533568_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A3B4_hR7_160_b_ab v002
EquilibriumCrystalStructure_A3B5C5D_mP56_14_3e_5e_5e_e_CHNO__TE_673582892737_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B5C5D_mP56_14_3e_5e_5e_e v001
EquilibriumCrystalStructure_A3B6C2D2_mP52_14_3e_6e_2e_2e_CHNO__TE_774790584207_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B6C2D2_mP52_14_3e_6e_2e_2e v001
EquilibriumCrystalStructure_A3B6C4D3_mC128_15_3f_6f_4f_3f_CHNO__TE_406261794933_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B6C4D3_mC128_15_3f_6f_4f_3f v001
EquilibriumCrystalStructure_A3B7C3D5_mC72_15_ef_e3f_ef_e2f_CHNO__TE_338644039739_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B7C3D5_mC72_15_ef_e3f_ef_e2f v001
EquilibriumCrystalStructure_A3B8C2D_aP56_2_6i_16i_4i_2i_CHNO__TE_118359337130_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B8C2D_aP56_2_6i_16i_4i_2i v001
EquilibriumCrystalStructure_A3B8C3D3_mP68_14_3e_8e_3e_3e_CHNO__TE_931378353295_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B8C3D3_mP68_14_3e_8e_3e_3e v001
EquilibriumCrystalStructure_A3B9C3D2_oP68_19_3a_9a_3a_2a_CHNO__TE_084777715347_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B9C3D2_oP68_19_3a_9a_3a_2a v001
EquilibriumCrystalStructure_A3B_cP16_198_b_a_HN__TE_885819825464_002 Equilibrium crystal structure and energy for HN in AFLOW crystal prototype A3B_cP16_198_b_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CuN__TE_548367593741_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_b_CuN__TE_444549016001_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype A3B_cP4_221_c_b v002
EquilibriumCrystalStructure_A3B_hP8_182_g_c_FeN__TE_572858716432_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A3B_hP8_182_g_c v002
EquilibriumCrystalStructure_A3B_mC16_5_3c_ab_FeN__TE_356999211343_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A3B_mC16_5_3c_ab v002
EquilibriumCrystalStructure_A3B_oC16_20_ac_b_FeN__TE_025527470200_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A3B_oC16_20_ac_b v002
EquilibriumCrystalStructure_A3B_oP16_62_cd_c_FeN__TE_376648009736_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A3B_oP16_62_cd_c v002
EquilibriumCrystalStructure_A3B_tP32_123_ilmnr_abcdef_CuN__TE_021962635450_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype A3B_tP32_123_ilmnr_abcdef v002
EquilibriumCrystalStructure_A3B_tP8_123_egh_ab_CuN__TE_004983467210_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype A3B_tP8_123_egh_ab v002
EquilibriumCrystalStructure_A4B11CD10_aP52_2_4i_11i_i_10i_CHNO__TE_395540322167_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A4B11CD10_aP52_2_4i_11i_i_10i v001
EquilibriumCrystalStructure_A4B2C3_oP18_59_ef_ab_ae_HNO__TE_231215089601_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A4B2C3_oP18_59_ef_ab_ae v001
EquilibriumCrystalStructure_A4B2C3_oP72_56_4e_cde_cd2e_HNO__TE_634519444021_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A4B2C3_oP72_56_4e_cde_cd2e v001
EquilibriumCrystalStructure_A4B2C3_tP72_77_8d_ab2c2d_6d_HNO__TE_743337691628_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A4B2C3_tP72_77_8d_ab2c2d_6d v001
EquilibriumCrystalStructure_A4B9CD4_mP72_14_4e_9e_e_4e_CHNO__TE_864918904302_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A4B9CD4_mP72_14_4e_9e_e_4e v001
EquilibriumCrystalStructure_A4B_cP5_221_ac_b_FeN__TE_628593062496_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A4B_cP5_221_ac_b v002
EquilibriumCrystalStructure_A5B12C2D_oP40_31_3ab_2a5b_2a_a_CHNO__TE_551930342530_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A5B12C2D_oP40_31_3ab_2a5b_2a_a v001
EquilibriumCrystalStructure_A5B12CD12_oC120_41_a2b_6b_a_6b_BHNO__TE_911641730288_001 Equilibrium crystal structure and energy for BHNO in AFLOW crystal prototype A5B12CD12_oC120_41_a2b_6b_a_6b v001
EquilibriumCrystalStructure_A5B14C2D2_mP92_14_5e_14e_2e_2e_CHNO__TE_506166234426_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A5B14C2D2_mP92_14_5e_14e_2e_2e v001
EquilibriumCrystalStructure_A5B3C3_mP44_14_5e_3e_3e_HNO__TE_905260947825_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A5B3C3_mP44_14_5e_3e_3e v001
EquilibriumCrystalStructure_A5B4_hR18_161_2ab_ab_CN__TE_842564654966_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype A5B4_hR18_161_2ab_ab v002
EquilibriumCrystalStructure_A5BC2_mP32_14_5e_e_2e_HNO__TE_651103944789_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A5BC2_mP32_14_5e_e_2e v001
EquilibriumCrystalStructure_A6B10C_cF136_202_h_fh_c_BHN__TE_087692125717_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype A6B10C_cF136_202_h_fh_c v001
EquilibriumCrystalStructure_A7BC6_oP56_19_7a_a_6a_HNO__TE_901381739573_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A7BC6_oP56_19_7a_a_6a v001
EquilibriumCrystalStructure_A8B9CD9_mC216_15_8f_9f_f_9f_CHNO__TE_289332527496_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A8B9CD9_mC216_15_8f_9f_f_9f v001
EquilibriumCrystalStructure_A8B_tI18_139_deh_a_FeN__TE_022399204167_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype A8B_tI18_139_deh_a v002
EquilibriumCrystalStructure_A_cI20_217_ce_N__TE_269245041750_002 Equilibrium crystal structure and energy for N in AFLOW crystal prototype A_cI20_217_ce v002
EquilibriumCrystalStructure_A_cI8_199_a_N__TE_416014384869_002 Equilibrium crystal structure and energy for N in AFLOW crystal prototype A_cI8_199_a v002
EquilibriumCrystalStructure_A_cP8_198_2a_N__TE_387412179998_002 Equilibrium crystal structure and energy for N in AFLOW crystal prototype A_cP8_198_2a v002
EquilibriumCrystalStructure_A_cP8_205_c_N__TE_321355962736_002 Equilibrium crystal structure and energy for N in AFLOW crystal prototype A_cP8_205_c v002
EquilibriumCrystalStructure_A_hP2_194_c_N__TE_673878522300_002 Equilibrium crystal structure and energy for N in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_hP4_194_f_N__TE_809674915132_002 Equilibrium crystal structure and energy for N in AFLOW crystal prototype A_hP4_194_f v002
EquilibriumCrystalStructure_A_hR16_167_cf_N__TE_293358858154_002 Equilibrium crystal structure and energy for N in AFLOW crystal prototype A_hR16_167_cf v002
EquilibriumCrystalStructure_A_oP2_51_e_N__TE_150196665312_002 Equilibrium crystal structure and energy for N in AFLOW crystal prototype A_oP2_51_e v002
EquilibriumCrystalStructure_A_tP4_136_f_N__TE_368533416294_002 Equilibrium crystal structure and energy for N in AFLOW crystal prototype A_tP4_136_f v002
EquilibriumCrystalStructure_AB2_cI36_199_b_c_NO__TE_582393734369_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB2_cI36_199_b_c v002
EquilibriumCrystalStructure_AB2_cI36_204_d_g_NO__TE_022819163240_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB2_cI36_204_d_g v002
EquilibriumCrystalStructure_AB2_cI36_204_e_g_NO__TE_520864286895_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB2_cI36_204_e_g v002
EquilibriumCrystalStructure_AB2_hP6_164_c_2d_CN__TE_974698702174_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB2_hP6_164_c_2d v002
EquilibriumCrystalStructure_AB2_mP12_11_2e_2ef_NO__TE_220836853719_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB2_mP12_11_2e_2ef v002
EquilibriumCrystalStructure_AB2_mP12_14_e_2e_NO__TE_255393400057_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB2_mP12_14_e_2e v002
EquilibriumCrystalStructure_AB2_oC12_36_a_2a_CN__TE_628265340256_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB2_oC12_36_a_2a v002
EquilibriumCrystalStructure_AB2_tI12_141_a_e_NTi__TE_898971470093_002 Equilibrium crystal structure and energy for NTi in AFLOW crystal prototype AB2_tI12_141_a_e v002
EquilibriumCrystalStructure_AB2_tI24_122_d_e_CN__TE_293304667675_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB2_tI24_122_d_e v002
EquilibriumCrystalStructure_AB2_tI6_119_a_f_CN__TE_097868968335_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB2_tI6_119_a_f v002
EquilibriumCrystalStructure_AB2_tP6_113_a_e_CN__TE_334944146606_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB2_tP6_113_a_e v002
EquilibriumCrystalStructure_AB2_tP6_136_a_f_NTi__TE_522571928819_002 Equilibrium crystal structure and energy for NTi in AFLOW crystal prototype AB2_tP6_136_a_f v002
EquilibriumCrystalStructure_AB2C2_mP40_14_2e_4e_4e_CHN__TE_076123224219_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB2C2_mP40_14_2e_4e_4e v001
EquilibriumCrystalStructure_AB2C2_oP40_61_c_2c_2c_CHN__TE_553221252520_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB2C2_oP40_61_c_2c_2c v001
EquilibriumCrystalStructure_AB2C2D2_oP56_19_2a_4a_4a_4a_CHNO__TE_338276194972_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB2C2D2_oP56_19_2a_4a_4a_4a v001
EquilibriumCrystalStructure_AB2C_oP4_25_a_bd_c_BCN__TE_131202134408_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype AB2C_oP4_25_a_bd_c v001
EquilibriumCrystalStructure_AB2C_oP8_17_a_bd_c_BCN__TE_104637621638_001 Equilibrium crystal structure and energy for BCN in AFLOW crystal prototype AB2C_oP8_17_a_bd_c v001
EquilibriumCrystalStructure_AB2C_tP48_96_ab_2a2b_ab_BHN__TE_781335410572_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB2C_tP48_96_ab_2a2b_ab v001
EquilibriumCrystalStructure_AB3_mC64_9_4a_12a_HN__TE_448824373383_002 Equilibrium crystal structure and energy for HN in AFLOW crystal prototype AB3_mC64_9_4a_12a v002
EquilibriumCrystalStructure_AB3_oP32_61_c_3c_CuN__TE_917472114754_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype AB3_oP32_61_c_3c v002
EquilibriumCrystalStructure_AB3_tI16_140_a_ch_CuN__TE_050471237042_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype AB3_tI16_140_a_ch v002
EquilibriumCrystalStructure_AB3_tI32_88_c_df_CuN__TE_636275320110_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype AB3_tI32_88_c_df v002
EquilibriumCrystalStructure_AB3C4_hP16_194_c_af_ef_AlNTi__TE_043432510993_001 Equilibrium crystal structure and energy for AlNTi in AFLOW crystal prototype AB3C4_hP16_194_c_af_ef v001
EquilibriumCrystalStructure_AB3C5D4_oP52_19_a_3a_5a_4a_CHNO__TE_352466489099_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB3C5D4_oP52_19_a_3a_5a_4a v001
EquilibriumCrystalStructure_AB4C2D_oC192_20_ab2c_12c_6c_ab2c_CHNO__TE_968090106964_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_oC192_20_ab2c_12c_6c_ab2c v001
EquilibriumCrystalStructure_AB4C2D_tP16_113_c_2e_e_c_CHNO__TE_344852579451_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_tP16_113_c_2e_e_c v001
EquilibriumCrystalStructure_AB4C2D_tP16_129_c_i_ac_c_CHNO__TE_083725332170_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_tP16_129_c_i_ac_c v001
EquilibriumCrystalStructure_AB4C4D2_aP44_2_2i_8i_8i_4i_CHNO__TE_869588863154_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C4D2_aP44_2_2i_8i_8i_4i v001
EquilibriumCrystalStructure_AB4C4D2_oF176_43_b_4b_4b_2b_CHNO__TE_181110374300_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C4D2_oF176_43_b_4b_4b_2b v001
EquilibriumCrystalStructure_AB5C3_oP36_19_a_5a_3a_CHN__TE_163746595328_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB5C3_oP36_19_a_5a_3a v001
EquilibriumCrystalStructure_AB5C3D4_mP52_14_e_5e_3e_4e_CHNO__TE_294401506423_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5C3D4_mP52_14_e_5e_3e_4e v001
EquilibriumCrystalStructure_AB5CD2_aP18_1_2a_10a_2a_4a_CHNO__TE_363379580538_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD2_aP18_1_2a_10a_2a_4a v001
EquilibriumCrystalStructure_AB5CD2_mP18_7_a_5a_a_2a_CHNO__TE_307285905143_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD2_mP18_7_a_5a_a_2a v001
EquilibriumCrystalStructure_AB5CD3_oP80_56_e_5e_e_3e_CHNO__TE_197216100796_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD3_oP80_56_e_5e_e_3e v001
EquilibriumCrystalStructure_AB6_oP28_62_c_6c_CuN__TE_977564418259_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype AB6_oP28_62_c_6c v002
EquilibriumCrystalStructure_AB6C2D2_oI88_72_j_2j2k_fj_2j_CHNO__TE_752390158425_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C2D2_oI88_72_j_2j2k_fj_2j v001
EquilibriumCrystalStructure_AB6C4D_mP48_14_e_6e_4e_e_CHNO__TE_499799561878_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C4D_mP48_14_e_6e_4e_e v001
EquilibriumCrystalStructure_AB6C6D4_aP68_2_2i_12i_12i_8i_CHNO__TE_669087067518_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C6D4_aP68_2_2i_12i_12i_8i v001
EquilibriumCrystalStructure_AB6C_mP16_4_a_6a_a_BHN__TE_661342968576_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_mP16_4_a_6a_a v001
EquilibriumCrystalStructure_AB6C_mP32_4_2a_12a_2a_BHN__TE_914282118282_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_mP32_4_2a_12a_2a v001
EquilibriumCrystalStructure_AB6C_oC32_36_a_2a2b_a_BHN__TE_126390875943_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_oC32_36_a_2a2b_a v001
EquilibriumCrystalStructure_AB6C_oP16_31_a_2a2b_a_BHN__TE_793938713686_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_oP16_31_a_2a2b_a v001
EquilibriumCrystalStructure_AB6C_oP32_62_c_2c2d_c_BHN__TE_634585559441_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB6C_oP32_62_c_2c2d_c v001
EquilibriumCrystalStructure_AB6C_oP32_62_c_6c_c_CNO__TE_159914758378_001 Equilibrium crystal structure and energy for CNO in AFLOW crystal prototype AB6C_oP32_62_c_6c_c v001
EquilibriumCrystalStructure_AB7C3D3_mP56_14_e_7e_3e_3e_CHNO__TE_256450103888_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB7C3D3_mP56_14_e_7e_3e_3e v001
EquilibriumCrystalStructure_AB8C6_mP60_14_e_8e_6e_CHN__TE_503718685256_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB8C6_mP60_14_e_8e_6e v001
EquilibriumCrystalStructure_AB8C_oP20_28_c_2c3d_a_BHN__TE_319625577364_001 Equilibrium crystal structure and energy for BHN in AFLOW crystal prototype AB8C_oP20_28_c_2c3d_a v001
EquilibriumCrystalStructure_AB9C7D3_oP80_57_d_3d3e_7d_de_CHNO__TE_995218505073_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB9C7D3_oP80_57_d_3d3e_7d_de v001
EquilibriumCrystalStructure_AB9C9_aP38_2_i_9i_9i_CHN__TE_757463323414_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype AB9C9_aP38_2_i_9i_9i v001
EquilibriumCrystalStructure_AB_cF8_216_a_c_AlN__TE_689408223894_002 Equilibrium crystal structure and energy for AlN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_BN__TE_776691913474_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_CuN__TE_905932653381_002 Equilibrium crystal structure and energy for CuN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_FeN__TE_744892201814_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_GaN__TE_096607870754_002 Equilibrium crystal structure and energy for GaN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_InN__TE_051652294724_002 Equilibrium crystal structure and energy for InN in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_AlN__TE_749743688824_002 Equilibrium crystal structure and energy for AlN in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FeN__TE_155825592725_002 Equilibrium crystal structure and energy for FeN in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_GaN__TE_450546638065_002 Equilibrium crystal structure and energy for GaN in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_InN__TE_314459809340_002 Equilibrium crystal structure and energy for InN in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_NTi__TE_773212656823_002 Equilibrium crystal structure and energy for NTi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_NU__TE_493518227928_002 Equilibrium crystal structure and energy for NU in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_NTi__TE_445344275490_002 Equilibrium crystal structure and energy for NTi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_AlN__TE_006319344352_002 Equilibrium crystal structure and energy for AlN in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_BN__TE_461177257061_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_GaN__TE_049005330456_002 Equilibrium crystal structure and energy for GaN in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_InN__TE_192117532843_002 Equilibrium crystal structure and energy for InN in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_187_ad_be_BN__TE_143940932040_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hP4_187_ad_be v002
EquilibriumCrystalStructure_AB_hP4_194_b_c_BN__TE_648391945309_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hP4_194_b_c v002
EquilibriumCrystalStructure_AB_hP4_194_c_b_BN__TE_456528850060_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hP4_194_c_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_b_GaN__TE_436136253652_002 Equilibrium crystal structure and energy for GaN in AFLOW crystal prototype AB_hP4_194_c_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_d_AlN__TE_298801052135_002 Equilibrium crystal structure and energy for AlN in AFLOW crystal prototype AB_hP4_194_c_d v002
EquilibriumCrystalStructure_AB_hP4_194_c_d_BN__TE_811110678305_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hP4_194_c_d v002
EquilibriumCrystalStructure_AB_hR2_160_a_a_BN__TE_075156187531_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_hR2_160_a_a v002
EquilibriumCrystalStructure_AB_hR2_166_a_b_NU__TE_648025558207_002 Equilibrium crystal structure and energy for NU in AFLOW crystal prototype AB_hR2_166_a_b v002
EquilibriumCrystalStructure_AB_mC16_8_4a_4a_BN__TE_880599067058_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_mC16_8_4a_4a v002
EquilibriumCrystalStructure_AB_mC16_9_2a_2a_BN__TE_216630860920_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_mC16_9_2a_2a v002
EquilibriumCrystalStructure_AB_mP8_14_e_e_NO__TE_971158509841_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB_mP8_14_e_e v002
EquilibriumCrystalStructure_AB_oC8_63_c_c_AlN__TE_971030455888_002 Equilibrium crystal structure and energy for AlN in AFLOW crystal prototype AB_oC8_63_c_c v002
EquilibriumCrystalStructure_AB_oF32_70_e_f_BN__TE_693023188928_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_oF32_70_e_f v002
EquilibriumCrystalStructure_AB_oP16_61_c_c_CN__TE_241457466977_002 Equilibrium crystal structure and energy for CN in AFLOW crystal prototype AB_oP16_61_c_c v002
EquilibriumCrystalStructure_AB_oP32_53_2i_abegh_HN__TE_075606519561_002 Equilibrium crystal structure and energy for HN in AFLOW crystal prototype AB_oP32_53_2i_abegh v002
EquilibriumCrystalStructure_AB_oP8_62_c_c_BN__TE_188369056427_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_oP8_62_c_c v002
EquilibriumCrystalStructure_AB_tP8_131_j_l_BN__TE_394582559450_002 Equilibrium crystal structure and energy for BN in AFLOW crystal prototype AB_tP8_131_j_l v002
EquilibriumCrystalStructure_ABC2_hP8_194_c_a_f_AlNTi__TE_298315613039_001 Equilibrium crystal structure and energy for AlNTi in AFLOW crystal prototype ABC2_hP8_194_c_a_f v001
EquilibriumCrystalStructure_ABC3_cP5_221_a_b_c_AlNTi__TE_559958597941_001 Equilibrium crystal structure and energy for AlNTi in AFLOW crystal prototype ABC3_cP5_221_a_b_c v001
EquilibriumCrystalStructure_ABC_cP12_198_a_a_a_CHN__TE_857785799141_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_cP12_198_a_a_a v001
EquilibriumCrystalStructure_ABC_mP48_14_4e_4e_4e_CHN__TE_079881122319_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_mP48_14_4e_4e_4e v001
EquilibriumCrystalStructure_ABC_oI6_44_a_a_a_CHN__TE_736546690836_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_oI6_44_a_a_a v001
EquilibriumCrystalStructure_ABC_tI6_107_a_a_a_CHN__TE_507308921750_001 Equilibrium crystal structure and energy for CHN in AFLOW crystal prototype ABC_tI6_107_a_a_a v001
LatticeConstantCubicEnergy_bcc_N__TE_613577614022_007 Equilibrium zero-temperature lattice constant for bcc N v007
LatticeConstantCubicEnergy_diamond_N__TE_248372489650_007 Equilibrium zero-temperature lattice constant for diamond N v007
LatticeConstantCubicEnergy_fcc_N__TE_022839468009_007 Equilibrium zero-temperature lattice constant for fcc N v007
LatticeConstantCubicEnergy_sc_N__TE_268219140650_007 Equilibrium zero-temperature lattice constant for sc N v007
LatticeConstantHexagonalEnergy_hcp_N__TE_155716044292_005 Equilibrium lattice constants for hcp N v005
Na
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Na__TE_027679635977_004 Cohesive energy versus lattice constant curve for bcc Na v004
CohesiveEnergyVsLatticeConstant_diamond_Na__TE_420812218068_004 Cohesive energy versus lattice constant curve for diamond Na v004
CohesiveEnergyVsLatticeConstant_fcc_Na__TE_010226493400_004 Cohesive energy versus lattice constant curve for fcc Na v004
CohesiveEnergyVsLatticeConstant_sc_Na__TE_048982197612_004 Cohesive energy versus lattice constant curve for sc Na v004
ElasticConstantsCubic_bcc_Na__TE_470376128758_006 Elastic constants for bcc Na at zero temperature v006
ElasticConstantsCubic_diamond_Na__TE_648385095060_001 Elastic constants for diamond Na at zero temperature v001
ElasticConstantsCubic_fcc_Na__TE_857617182965_006 Elastic constants for fcc Na at zero temperature v006
ElasticConstantsCubic_sc_Na__TE_133927955579_006 Elastic constants for sc Na at zero temperature v006
ElasticConstantsHexagonal_hcp_Na__TE_969867858524_004 Elastic constants for hcp Na at zero temperature v004
EquilibriumCrystalStructure_A10B2C8D_aP42_2_10i_2i_8i_i_HNaOSi__TE_562221687527_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A10B2C8D_aP42_2_10i_2i_8i_i v001
EquilibriumCrystalStructure_A12B2C9D_mP48_4_12a_2a_9a_a_HNaOSi__TE_537172192390_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A12B2C9D_mP48_4_12a_2a_9a_a v001
EquilibriumCrystalStructure_A15B4_cI76_220_ae_c_NaSn__TE_881502359121_002 Equilibrium crystal structure and energy for NaSn in AFLOW crystal prototype A15B4_cI76_220_ae_c v002
EquilibriumCrystalStructure_A2B3C_oC24_36_b_ab_a_NaOSi__TE_999301811331_001 Equilibrium crystal structure and energy for NaOSi in AFLOW crystal prototype A2B3C_oC24_36_b_ab_a v001
EquilibriumCrystalStructure_A2B7C3_mC48_15_f_e3f_af_NaOSi__TE_307687419783_001 Equilibrium crystal structure and energy for NaOSi in AFLOW crystal prototype A2B7C3_mC48_15_f_e3f_af v001
EquilibriumCrystalStructure_A2B7C3_mP48_14_2e_7e_3e_NaOSi__TE_947500728178_001 Equilibrium crystal structure and energy for NaOSi in AFLOW crystal prototype A2B7C3_mP48_14_2e_7e_3e v001
EquilibriumCrystalStructure_A2B_cF12_225_c_a_NaO__TE_567567321313_001 Equilibrium crystal structure and energy for NaO in AFLOW crystal prototype A2B_cF12_225_c_a v001
EquilibriumCrystalStructure_A3B3C5D_mP48_14_3e_3e_5e_e_HNaOSi__TE_281534361743_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A3B3C5D_mP48_14_3e_3e_5e_e v001
EquilibriumCrystalStructure_A3BC2_oP48_61_3c_c_2c_HNaO__TE_943186678014_001 Equilibrium crystal structure and energy for HNaO in AFLOW crystal prototype A3BC2_oP48_61_3c_c_2c v001
EquilibriumCrystalStructure_A3BC6D2_oF192_43_3b_b_6b_2b_HNaOSi__TE_621260419910_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A3BC6D2_oF192_43_3b_b_6b_2b v001
EquilibriumCrystalStructure_A4B23_cP54_223_ac_dik_NaSi__TE_840200289597_001 Equilibrium crystal structure and energy for NaSi in AFLOW crystal prototype A4B23_cP54_223_ac_dik v001
EquilibriumCrystalStructure_A4B4C_aP18_2_4i_4i_i_NaOSi__TE_891788416782_001 Equilibrium crystal structure and energy for NaOSi in AFLOW crystal prototype A4B4C_aP18_2_4i_4i_i v001
EquilibriumCrystalStructure_A9B4_oC52_63_c4f_2f_NaSn__TE_535834509033_002 Equilibrium crystal structure and energy for NaSn in AFLOW crystal prototype A9B4_oC52_63_c4f_2f v002
EquilibriumCrystalStructure_A_cI2_229_a_Na__TE_093683094877_002 Equilibrium crystal structure and energy for Na in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Na__TE_931394876530_002 Equilibrium crystal structure and energy for Na in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_A_hP4_194_ac_Na__TE_971289659677_002 Equilibrium crystal structure and energy for Na in AFLOW crystal prototype A_hP4_194_ac v002
EquilibriumCrystalStructure_A_hR3_166_ac_Na__TE_092205134124_002 Equilibrium crystal structure and energy for Na in AFLOW crystal prototype A_hR3_166_ac v002
EquilibriumCrystalStructure_A_oP8_62_2c_Na__TE_802325604961_002 Equilibrium crystal structure and energy for Na in AFLOW crystal prototype A_oP8_62_2c v002
EquilibriumCrystalStructure_AB2_cP12_205_a_c_NaO__TE_240150574920_001 Equilibrium crystal structure and energy for NaO in AFLOW crystal prototype AB2_cP12_205_a_c v001
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_CsNa__TE_641077698564_002 Equilibrium crystal structure and energy for CsNa in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_KNa__TE_858573076719_002 Equilibrium crystal structure and energy for KNa in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_mC48_12_g3i_2i3j_NaSn__TE_262576316033_002 Equilibrium crystal structure and energy for NaSn in AFLOW crystal prototype AB2_mC48_12_g3i_2i3j v002
EquilibriumCrystalStructure_AB2_oP6_58_a_g_NaO__TE_524963117649_001 Equilibrium crystal structure and energy for NaO in AFLOW crystal prototype AB2_oP6_58_a_g v001
EquilibriumCrystalStructure_AB2CD5_mC72_15_f_2f_ae_5f_ClHNaO__TE_634972925551_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB2CD5_mC72_15_f_2f_ae_5f v001
EquilibriumCrystalStructure_AB3_oI8_44_a_ac_NaO__TE_060324794149_001 Equilibrium crystal structure and energy for NaO in AFLOW crystal prototype AB3_oI8_44_a_ac v001
EquilibriumCrystalStructure_AB3C_cP5_221_a_c_b_ClNaO__TE_748162408694_001 Equilibrium crystal structure and energy for ClNaO in AFLOW crystal prototype AB3C_cP5_221_a_c_b v001
EquilibriumCrystalStructure_AB4CD2_mP32_14_e_4e_e_2e_ClHNaO__TE_122196567708_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB4CD2_mP32_14_e_4e_e_2e v001
EquilibriumCrystalStructure_AB4CD6_aP24_2_i_4i_i_6i_ClHNaO__TE_599690820260_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB4CD6_aP24_2_i_4i_i_6i v001
EquilibriumCrystalStructure_AB5_tP12_113_c_a2e_NaSn__TE_261809149022_002 Equilibrium crystal structure and energy for NaSn in AFLOW crystal prototype AB5_tP12_113_c_a2e v002
EquilibriumCrystalStructure_AB6CD5_aP26_2_i_6i_i_5i_ClHNaO__TE_568757875966_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB6CD5_aP26_2_i_6i_i_5i v001
EquilibriumCrystalStructure_AB8C18D6_hR33_166_a_cde_g2h_h_CeNaOSi__TE_885064614996_001 Equilibrium crystal structure and energy for CeNaOSi in AFLOW crystal prototype AB8C18D6_hR33_166_a_cde_g2h_h v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_BrNa__TE_860960835035_002 Equilibrium crystal structure and energy for BrNa in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_ClNa__TE_620029719949_002 Equilibrium crystal structure and energy for ClNa in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FNa__TE_966450807183_002 Equilibrium crystal structure and energy for FNa in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_HNa__TE_371342992593_001 Equilibrium crystal structure and energy for HNa in AFLOW crystal prototype AB_cF8_225_a_b v001
EquilibriumCrystalStructure_AB_cF8_225_a_b_INa__TE_710284495423_002 Equilibrium crystal structure and energy for INa in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_ClNa__TE_095214339168_002 Equilibrium crystal structure and energy for ClNa in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_HNa__TE_408224717390_001 Equilibrium crystal structure and energy for HNa in AFLOW crystal prototype AB_cP2_221_a_b v001
EquilibriumCrystalStructure_AB_hP12_189_fg_eh_NaO__TE_105971730003_001 Equilibrium crystal structure and energy for NaO in AFLOW crystal prototype AB_hP12_189_fg_eh v001
EquilibriumCrystalStructure_AB_mC32_15_2f_2f_NaSi__TE_498878217677_001 Equilibrium crystal structure and energy for NaSi in AFLOW crystal prototype AB_mC32_15_2f_2f v001
EquilibriumCrystalStructure_ABC3_cP20_198_a_a_b_ClNaO__TE_243924496845_001 Equilibrium crystal structure and energy for ClNaO in AFLOW crystal prototype ABC3_cP20_198_a_a_b v001
EquilibriumCrystalStructure_ABC4_cF24_216_a_b_e_ClNaO__TE_904476998565_001 Equilibrium crystal structure and energy for ClNaO in AFLOW crystal prototype ABC4_cF24_216_a_b_e v001
EquilibriumCrystalStructure_ABC4_oC24_63_c_c_fg_ClNaO__TE_946401897678_001 Equilibrium crystal structure and energy for ClNaO in AFLOW crystal prototype ABC4_oC24_63_c_c_fg v001
EquilibriumCrystalStructure_ABC4_oP24_62_c_c_2cd_ClNaO__TE_554183607631_001 Equilibrium crystal structure and energy for ClNaO in AFLOW crystal prototype ABC4_oP24_62_c_c_2cd v001
EquilibriumCrystalStructure_ABC_mP6_11_e_e_e_HNaO__TE_414891439649_001 Equilibrium crystal structure and energy for HNaO in AFLOW crystal prototype ABC_mP6_11_e_e_e v001
EquilibriumCrystalStructure_ABC_oC12_63_c_c_c_HNaO__TE_460690501908_001 Equilibrium crystal structure and energy for HNaO in AFLOW crystal prototype ABC_oC12_63_c_c_c v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_cF8_225_a_b_ClNa__TE_102563389665_000 Unconstrained equilibrium crystal structure and energy of AB_cF8_225_a_b:Cl:Na expressed in core-shell atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB_cP2_221_a_b_ClNa__TE_887131284947_000 Unconstrained equilibrium crystal structure and energy of AB_cP2_221_a_b:Cl:Na expressed in core-shell atom types and bonding v000
LatticeConstantCubicEnergy_bcc_Na__TE_750720776577_007 Equilibrium zero-temperature lattice constant for bcc Na v007
LatticeConstantCubicEnergy_diamond_Na__TE_224316875199_007 Equilibrium zero-temperature lattice constant for diamond Na v007
LatticeConstantCubicEnergy_fcc_Na__TE_577795793955_007 Equilibrium zero-temperature lattice constant for fcc Na v007
LatticeConstantCubicEnergy_sc_Na__TE_276359485361_007 Equilibrium zero-temperature lattice constant for sc Na v007
LatticeConstantHexagonalEnergy_hcp_Na__TE_599435841760_005 Equilibrium lattice constants for hcp Na v005
LinearThermalExpansionCoeff_bcc_Na__TE_398765858860_002 Linear thermal expansion coefficient of bcc Na at 293.15 K under a pressure of 0 MPa v002
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Na__TE_655742555128_004 Broken-bond fit of high-symmetry surface energies in bcc Na v004
VacancyFormationEnergyRelaxationVolume_bcc_Na__TE_907826399289_001 Monovacancy formation energy and relaxation volume for bcc Na
VacancyFormationMigration_bcc_Na__TE_232855806262_001 Vacancy formation and migration energy for bcc Na
Nb
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Nb__TE_476580932535_004 Cohesive energy versus lattice constant curve for bcc Nb v004
CohesiveEnergyVsLatticeConstant_diamond_Nb__TE_410458630820_004 Cohesive energy versus lattice constant curve for diamond Nb v004
CohesiveEnergyVsLatticeConstant_fcc_Nb__TE_247507490528_004 Cohesive energy versus lattice constant curve for fcc Nb v004
CohesiveEnergyVsLatticeConstant_sc_Nb__TE_342132462284_004 Cohesive energy versus lattice constant curve for sc Nb v004
ElasticConstantsCubic_bcc_Nb__TE_573538588728_006 Elastic constants for bcc Nb at zero temperature v006
ElasticConstantsCubic_diamond_Nb__TE_489717116954_001 Elastic constants for diamond Nb at zero temperature v001
ElasticConstantsCubic_fcc_Nb__TE_469360588612_006 Elastic constants for fcc Nb at zero temperature v006
ElasticConstantsCubic_sc_Nb__TE_197120067158_006 Elastic constants for sc Nb at zero temperature v006
ElasticConstantsHexagonal_hcp_Nb__TE_587558208085_004 Elastic constants for hcp Nb at zero temperature v004
EquilibriumCrystalStructure_A2B_cF24_227_c_b_FeNb__TE_907402314345_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_NbNi__TE_394203709918_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_hP12_194_ah_f_FeNb__TE_363203047223_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A2B_hP12_194_ah_f v002
EquilibriumCrystalStructure_A2B_hP24_194_fgh_ef_FeNb__TE_825139981287_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A2B_hP24_194_fgh_ef v002
EquilibriumCrystalStructure_A2B_oC24_63_acg_f_FeNb__TE_249295736734_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A2B_oC24_63_acg_f v002
EquilibriumCrystalStructure_A3B4_cP7_221_d_ac_CNb__TE_789726575271_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype A3B4_cP7_221_d_ac v002
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_FeNb__TE_344697972112_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_NbNi__TE_056748608722_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_FeNb__TE_963884435968_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_NbNi__TE_739935521865_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_AlNb__TE_535247973269_002 Equilibrium crystal structure and energy for AlNb in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_FeNb__TE_600985581585_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_NbNi__TE_018725850806_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A5B6_mC22_12_agh_ij_CNb__TE_581431258276_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype A5B6_mC22_12_agh_ij v002
EquilibriumCrystalStructure_A5B_cF96_227_ef_c_NbNi__TE_056711836231_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A5B_cF96_227_ef_c v002
EquilibriumCrystalStructure_A6B7_hR13_166_3c_ah_NbNi__TE_160859699292_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A6B7_hR13_166_3c_ah v002
EquilibriumCrystalStructure_A7B6_hR13_166_a3c_h_NbNi__TE_692789523561_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A7B6_hR13_166_a3c_h v002
EquilibriumCrystalStructure_A7B6_hR13_166_ah_3c_FeNb__TE_364514006375_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype A7B6_hR13_166_ah_3c v002
EquilibriumCrystalStructure_A_cF4_225_a_Nb__TE_346004160212_002 Equilibrium crystal structure and energy for Nb in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Nb__TE_834250197948_002 Equilibrium crystal structure and energy for Nb in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_FeNb__TE_249837817281_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_NbNi__TE_514206790187_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_NbNi__TE_278743528968_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_hP24_194_ef_fgh_NbNi__TE_961028613884_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB2_hP24_194_ef_fgh v002
EquilibriumCrystalStructure_AB2_hP3_164_a_d_CNb__TE_568392938315_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB2_hP3_164_a_d v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CNb__TE_435026019794_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_tP30_136_ai_fij_AlNb__TE_980946200456_002 Equilibrium crystal structure and energy for AlNb in AFLOW crystal prototype AB2_tP30_136_ai_fij v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_FeNb__TE_150748124863_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_NbNi__TE_775087115603_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_FeNb__TE_000602085328_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_NbNi__TE_710078639331_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP8_223_a_c_AlNb__TE_215996158992_002 Equilibrium crystal structure and energy for AlNb in AFLOW crystal prototype AB3_cP8_223_a_c v002
EquilibriumCrystalStructure_AB3_oP8_59_a_be_NbNi__TE_492536733244_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB3_oP8_59_a_be v002
EquilibriumCrystalStructure_AB3_tI8_139_a_bd_FeNb__TE_605646897502_002 Equilibrium crystal structure and energy for FeNb in AFLOW crystal prototype AB3_tI8_139_a_bd v002
EquilibriumCrystalStructure_AB3_tI8_139_a_bd_NbNi__TE_501906546043_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB3_tI8_139_a_bd v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_CNb__TE_060826681965_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CNb__TE_045400230029_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CNb__TE_345350464363_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_a_CNb__TE_499785565098_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB_hP4_194_c_a v002
EquilibriumCrystalStructure_AB_hP4_194_c_d_CNb__TE_325883662955_002 Equilibrium crystal structure and energy for CNb in AFLOW crystal prototype AB_hP4_194_c_d v002
LatticeConstantCubicEnergy_bcc_Nb__TE_601500243876_007 Equilibrium zero-temperature lattice constant for bcc Nb v007
LatticeConstantCubicEnergy_diamond_Nb__TE_289366083393_007 Equilibrium zero-temperature lattice constant for diamond Nb v007
LatticeConstantCubicEnergy_fcc_Nb__TE_142133121510_007 Equilibrium zero-temperature lattice constant for fcc Nb v007
LatticeConstantCubicEnergy_sc_Nb__TE_112217494889_007 Equilibrium zero-temperature lattice constant for sc Nb v007
LatticeConstantHexagonalEnergy_hcp_Nb__TE_038267879331_005 Equilibrium lattice constants for hcp Nb v005
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Nb__TE_965787469599_004 Broken-bond fit of high-symmetry surface energies in bcc Nb v004
VacancyFormationEnergyRelaxationVolume_bcc_Nb__TE_865391109892_001 Monovacancy formation energy and relaxation volume for bcc Nb
VacancyFormationMigration_bcc_Nb__TE_143720853244_001 Vacancy formation and migration energy for bcc Nb
Nd
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Nd__TE_651934800240_004 Cohesive energy versus lattice constant curve for bcc Nd v004
CohesiveEnergyVsLatticeConstant_diamond_Nd__TE_881553972607_004 Cohesive energy versus lattice constant curve for diamond Nd v004
CohesiveEnergyVsLatticeConstant_fcc_Nd__TE_737689114319_004 Cohesive energy versus lattice constant curve for fcc Nd v004
CohesiveEnergyVsLatticeConstant_sc_Nd__TE_701367196355_004 Cohesive energy versus lattice constant curve for sc Nd v004
ElasticConstantsCubic_bcc_Nd__TE_107415148177_006 Elastic constants for bcc Nd at zero temperature v006
ElasticConstantsCubic_diamond_Nd__TE_475415670925_001 Elastic constants for diamond Nd at zero temperature v001
ElasticConstantsCubic_fcc_Nd__TE_780078878375_006 Elastic constants for fcc Nd at zero temperature v006
ElasticConstantsCubic_sc_Nd__TE_051445461647_006 Elastic constants for sc Nd at zero temperature v006
ElasticConstantsHexagonal_hcp_Nd__TE_142293522468_004 Elastic constants for hcp Nd at zero temperature v004
EquilibriumCrystalStructure_A12B_tI26_139_fij_a_MgNd__TE_704017392719_002 Equilibrium crystal structure and energy for MgNd in AFLOW crystal prototype A12B_tI26_139_fij_a v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_MgNd__TE_454434666644_002 Equilibrium crystal structure and energy for MgNd in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_MgNd__TE_097206656689_002 Equilibrium crystal structure and energy for MgNd in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A_cF4_225_a_Nd__TE_214367767038_002 Equilibrium crystal structure and energy for Nd in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Nd__TE_914699159595_002 Equilibrium crystal structure and energy for Nd in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP4_194_ac_Nd__TE_828985642513_002 Equilibrium crystal structure and energy for Nd in AFLOW crystal prototype A_hP4_194_ac v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_MgNd__TE_969630478446_002 Equilibrium crystal structure and energy for MgNd in AFLOW crystal prototype AB_cP2_221_a_b v002
LatticeConstantCubicEnergy_bcc_Nd__TE_205936078761_007 Equilibrium zero-temperature lattice constant for bcc Nd v007
LatticeConstantCubicEnergy_diamond_Nd__TE_903296449566_007 Equilibrium zero-temperature lattice constant for diamond Nd v007
LatticeConstantCubicEnergy_fcc_Nd__TE_931309535209_007 Equilibrium zero-temperature lattice constant for fcc Nd v007
LatticeConstantCubicEnergy_sc_Nd__TE_655760404912_007 Equilibrium zero-temperature lattice constant for sc Nd v007
LatticeConstantHexagonalEnergy_hcp_Nd__TE_536663798407_005 Equilibrium lattice constants for hcp Nd v005
Ne
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Ne__TE_598612651188_004 Cohesive energy versus lattice constant curve for bcc Ne v004
CohesiveEnergyVsLatticeConstant_diamond_Ne__TE_816884121091_004 Cohesive energy versus lattice constant curve for diamond Ne v004
CohesiveEnergyVsLatticeConstant_fcc_Ne__TE_897926038665_004 Cohesive energy versus lattice constant curve for fcc Ne v004
CohesiveEnergyVsLatticeConstant_sc_Ne__TE_395828346253_004 Cohesive energy versus lattice constant curve for sc Ne v004
ElasticConstantsCubic_bcc_Ne__TE_881074345360_006 Elastic constants for bcc Ne at zero temperature v006
ElasticConstantsCubic_diamond_Ne__TE_227448210296_001 Elastic constants for diamond Ne at zero temperature v001
ElasticConstantsCubic_fcc_Ne__TE_136546639367_006 Elastic constants for fcc Ne at zero temperature v006
ElasticConstantsCubic_sc_Ne__TE_649578776881_006 Elastic constants for sc Ne at zero temperature v006
ElasticConstantsHexagonal_hcp_Ne__TE_314431010875_004 Elastic constants for hcp Ne at zero temperature v004
EquilibriumCrystalStructure_A_cF4_225_a_Ne__TE_779078825837_002 Equilibrium crystal structure and energy for Ne in AFLOW crystal prototype A_cF4_225_a v002
LatticeConstantCubicEnergy_bcc_Ne__TE_546237658958_007 Equilibrium zero-temperature lattice constant for bcc Ne v007
LatticeConstantCubicEnergy_diamond_Ne__TE_650597477061_007 Equilibrium zero-temperature lattice constant for diamond Ne v007
LatticeConstantCubicEnergy_fcc_Ne__TE_392694970401_007 Equilibrium zero-temperature lattice constant for fcc Ne v007
LatticeConstantCubicEnergy_sc_Ne__TE_873077480065_007 Equilibrium zero-temperature lattice constant for sc Ne v007
LatticeConstantHexagonalEnergy_hcp_Ne__TE_349841178835_005 Equilibrium lattice constants for hcp Ne v005
LinearThermalExpansionCoeff_fcc_Ne__TE_243550005184_002 Linear thermal expansion coefficient of fcc Ne at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Ne__TE_296034072547_004 Phonon dispersion relations for fcc Ne v004
StackingFaultFccCrystal_0bar_Ne__TE_599637705633_002 Stacking and twinning fault energies for fcc Ne v002
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ne__TE_285248425547_004 Broken-bond fit of high-symmetry surface energies in fcc Ne v004
Ni
Test Title
binary_alloy_elastic_constant_L12_AlNi3__TE_292837747871_000 Elastic constants of AlNi3 alloy in the L12 configuration
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_004 Cohesive energy versus lattice constant curve for bcc Ni v004
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_004 Cohesive energy versus lattice constant curve for diamond Ni v004
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_004 Cohesive energy versus lattice constant curve for fcc Ni v004
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_004 Cohesive energy versus lattice constant curve for sc Ni v004
DislocationCoreEnergyCubic_fcc_Ni_0p50p50_110__TE_060227745293_000 Dislocation core energy for fcc Ni computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, 1, 0] v000
DislocationCoreEnergyCubic_fcc_Ni_0p50p50_1m12__TE_305250512706_000 Dislocation core energy for fcc Ni computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0] along line direction [1, -1, 2] v000
ElasticConstantsCubic_bcc_Ni__TE_899101060802_006 Elastic constants for bcc Ni at zero temperature v006
ElasticConstantsCubic_diamond_Ni__TE_453553038668_001 Elastic constants for diamond Ni at zero temperature v001
ElasticConstantsCubic_fcc_Ni__TE_077792808740_006 Elastic constants for fcc Ni at zero temperature v006
ElasticConstantsCubic_sc_Ni__TE_667647618175_006 Elastic constants for sc Ni at zero temperature v006
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_004 Elastic constants for hcp Ni at zero temperature v004
EquilibriumCrystalStructure_A10B7_oC68_64_f2g_adef_NiZr__TE_987869022034_002 Equilibrium crystal structure and energy for NiZr in AFLOW crystal prototype A10B7_oC68_64_f2g_adef v002
EquilibriumCrystalStructure_A16B7C6_cF116_225_2f_ad_e_AlNiTi__TE_710776990609_001 Equilibrium crystal structure and energy for AlNiTi in AFLOW crystal prototype A16B7C6_cF116_225_2f_ad_e v001
EquilibriumCrystalStructure_A21B8_aP29_2_a10i_4i_NiZr__TE_705057757994_002 Equilibrium crystal structure and energy for NiZr in AFLOW crystal prototype A21B8_aP29_2_a10i_4i v002
EquilibriumCrystalStructure_A23B6_cF116_225_ad2f_e_NiZr__TE_549986845530_002 Equilibrium crystal structure and energy for NiZr in AFLOW crystal prototype A23B6_cF116_225_ad2f_e v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CrNi__TE_030903509663_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_FeNi__TE_100043649315_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_NbNi__TE_394203709918_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_cF24_227_c_b_NiZr__TE_634578115009_002 Equilibrium crystal structure and energy for NiZr in AFLOW crystal prototype A2B_cF24_227_c_b v002
EquilibriumCrystalStructure_A2B_oI6_71_e_a_NiV__TE_700767274240_002 Equilibrium crystal structure and energy for NiV in AFLOW crystal prototype A2B_oI6_71_e_a v002
EquilibriumCrystalStructure_A3B2_hP5_164_ad_d_AlNi__TE_316749760271_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B2_hP5_164_ad_d v002
EquilibriumCrystalStructure_A3B5_oC16_65_ah_bej_AlNi__TE_916164216045_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B5_oC16_65_ah_bej v002
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_CrNi__TE_106751846143_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_FeNi__TE_329198268851_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_NbNi__TE_056748608722_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A3B_cF16_225_ac_b v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoNi__TE_979134007065_002 Equilibrium crystal structure and energy for CoNi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CrNi__TE_894969408520_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_FeNi__TE_248403352178_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_NbNi__TE_739935521865_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_cP4_221_c_a_NiPt__TE_648255420193_002 Equilibrium crystal structure and energy for NiPt in AFLOW crystal prototype A3B_cP4_221_c_a v002
EquilibriumCrystalStructure_A3B_hP16_194_gh_ac_NiTi__TE_813254330003_002 Equilibrium crystal structure and energy for NiTi in AFLOW crystal prototype A3B_hP16_194_gh_ac v002
EquilibriumCrystalStructure_A3B_hP8_194_h_c_NiZr__TE_804162681289_002 Equilibrium crystal structure and energy for NiZr in AFLOW crystal prototype A3B_hP8_194_h_c v002
EquilibriumCrystalStructure_A3B_oP16_62_cd_c_AlNi__TE_412732671312_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B_oP16_62_cd_c v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_FeNi__TE_348962041508_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_NbNi__TE_018725850806_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_NiV__TE_016575265325_002 Equilibrium crystal structure and energy for NiV in AFLOW crystal prototype A3B_tI8_139_ad_b v002
EquilibriumCrystalStructure_A4B3_cI112_230_af_g_AlNi__TE_273280345947_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A4B3_cI112_230_af_g v002
EquilibriumCrystalStructure_A4B3_hR14_148_abf_f_NiTi__TE_259483538737_002 Equilibrium crystal structure and energy for NiTi in AFLOW crystal prototype A4B3_hR14_148_abf_f v002
EquilibriumCrystalStructure_A4B_tI10_87_h_a_NiW__TE_020737938406_002 Equilibrium crystal structure and energy for NiW in AFLOW crystal prototype A4B_tI10_87_h_a v002
EquilibriumCrystalStructure_A5B_cF24_216_ae_c_NiZr__TE_183969542232_002 Equilibrium crystal structure and energy for NiZr in AFLOW crystal prototype A5B_cF24_216_ae_c v002
EquilibriumCrystalStructure_A5B_cF96_227_ef_c_NbNi__TE_056711836231_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A5B_cF96_227_ef_c v002
EquilibriumCrystalStructure_A6B7_hR13_166_3c_ah_NbNi__TE_160859699292_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A6B7_hR13_166_3c_ah v002
EquilibriumCrystalStructure_A7B6_hR13_166_a3c_h_NbNi__TE_692789523561_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype A7B6_hR13_166_a3c_h v002
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v002
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v002
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_CrNi__TE_330192891046_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_FeNi__TE_783111605617_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_cF24_227_a_d_NbNi__TE_514206790187_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB2_cF24_227_a_d v002
EquilibriumCrystalStructure_AB2_cF96_227_e_cf_NiTi__TE_803336975880_002 Equilibrium crystal structure and energy for NiTi in AFLOW crystal prototype AB2_cF96_227_e_cf v002
EquilibriumCrystalStructure_AB2_hP12_194_f_ah_NbNi__TE_278743528968_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB2_hP12_194_f_ah v002
EquilibriumCrystalStructure_AB2_hP24_194_ef_fgh_NbNi__TE_961028613884_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB2_hP24_194_ef_fgh v002
EquilibriumCrystalStructure_AB2_hR3_166_a_c_NiO__TE_211935769495_002 Equilibrium crystal structure and energy for NiO in AFLOW crystal prototype AB2_hR3_166_a_c v002
EquilibriumCrystalStructure_AB2_mC6_12_a_i_NiO__TE_666196481948_002 Equilibrium crystal structure and energy for NiO in AFLOW crystal prototype AB2_mC6_12_a_i v002
EquilibriumCrystalStructure_AB2_mC6_8_a_2a_HNi__TE_731079597081_002 Equilibrium crystal structure and energy for HNi in AFLOW crystal prototype AB2_mC6_8_a_2a v002
EquilibriumCrystalStructure_AB2_tI12_140_a_h_NiZr__TE_160536525383_002 Equilibrium crystal structure and energy for NiZr in AFLOW crystal prototype AB2_tI12_140_a_h v002
EquilibriumCrystalStructure_AB2C_cF16_225_a_c_b_AlFeNi__TE_465314266097_001 Equilibrium crystal structure and energy for AlFeNi in AFLOW crystal prototype AB2C_cF16_225_a_c_b v001
EquilibriumCrystalStructure_AB2C_cF16_225_a_c_b_AlNiTi__TE_636026550360_001 Equilibrium crystal structure and energy for AlNiTi in AFLOW crystal prototype AB2C_cF16_225_a_c_b v001
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlNi__TE_559285586833_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CrNi__TE_603397726871_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_FeNi__TE_094501326126_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_NbNi__TE_775087115603_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB3_cF16_225_a_bc v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AlNi__TE_513450192317_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_FeNi__TE_015160752409_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_MnNi__TE_489884520392_002 Equilibrium crystal structure and energy for MnNi in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP4_221_a_c_NbNi__TE_710078639331_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB3_cP4_221_a_c v002
EquilibriumCrystalStructure_AB3_cP8_223_a_c_NiV__TE_998033685915_002 Equilibrium crystal structure and energy for NiV in AFLOW crystal prototype AB3_cP8_223_a_c v002
EquilibriumCrystalStructure_AB3_oP8_59_a_be_MoNi__TE_442136190346_002 Equilibrium crystal structure and energy for MoNi in AFLOW crystal prototype AB3_oP8_59_a_be v002
EquilibriumCrystalStructure_AB3_oP8_59_a_be_NbNi__TE_492536733244_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB3_oP8_59_a_be v002
EquilibriumCrystalStructure_AB3_tI8_139_a_bd_FeNi__TE_384717191162_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_tI8_139_a_bd v002
EquilibriumCrystalStructure_AB3_tI8_139_a_bd_NbNi__TE_501906546043_002 Equilibrium crystal structure and energy for NbNi in AFLOW crystal prototype AB3_tI8_139_a_bd v002
EquilibriumCrystalStructure_AB3_tP4_123_a_ce_AlNi__TE_422372257975_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_tP4_123_a_ce v002
EquilibriumCrystalStructure_AB4_tI10_87_a_h_MoNi__TE_141865518829_002 Equilibrium crystal structure and energy for MoNi in AFLOW crystal prototype AB4_tI10_87_a_h v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_HNi__TE_937035327194_002 Equilibrium crystal structure and energy for HNi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_NiO__TE_850736496018_002 Equilibrium crystal structure and energy for NiO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlNi__TE_551410690466_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoNi__TE_043669841051_002 Equilibrium crystal structure and energy for CoNi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_MnNi__TE_332848247395_002 Equilibrium crystal structure and energy for MnNi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_NiTi__TE_318190692365_002 Equilibrium crystal structure and energy for NiTi in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_hP18_157_ab2c_ab2c_NiTi__TE_734084099535_002 Equilibrium crystal structure and energy for NiTi in AFLOW crystal prototype AB_hP18_157_ab2c_ab2c v002
EquilibriumCrystalStructure_AB_mP4_11_e_e_NiTi__TE_113940079431_002 Equilibrium crystal structure and energy for NiTi in AFLOW crystal prototype AB_mP4_11_e_e v002
EquilibriumCrystalStructure_AB_oC8_63_c_c_NiTi__TE_092238556992_002 Equilibrium crystal structure and energy for NiTi in AFLOW crystal prototype AB_oC8_63_c_c v002
EquilibriumCrystalStructure_AB_oC8_63_c_c_NiZr__TE_861485792363_002 Equilibrium crystal structure and energy for NiZr in AFLOW crystal prototype AB_oC8_63_c_c v002
EquilibriumCrystalStructure_AB_oP4_51_e_f_NiTi__TE_444289713371_002 Equilibrium crystal structure and energy for NiTi in AFLOW crystal prototype AB_oP4_51_e_f v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_FeNi__TE_136568412116_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_AB_tP2_123_a_d_NiPt__TE_345709913229_002 Equilibrium crystal structure and energy for NiPt in AFLOW crystal prototype AB_tP2_123_a_d v002
EquilibriumCrystalStructure_ABC2_cF16_216_a_c_bd_AlNiTi__TE_857558195359_001 Equilibrium crystal structure and energy for AlNiTi in AFLOW crystal prototype ABC2_cF16_216_a_c_bd v001
EquilibriumCrystalStructure_ABC2_cF16_225_a_b_c_AlCrNi__TE_976636071079_001 Equilibrium crystal structure and energy for AlCrNi in AFLOW crystal prototype ABC2_cF16_225_a_b_c v001
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Nickel__TE_966841164937_000 Unconstrained equilibrium crystal structure and energy of Nickel expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Nickel_Hydroxide__TE_190023696711_000 Unconstrained equilibrium crystal structure and energy of Nickel Hydroxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_CHARMM_GUI_INTERFACE_Nickel_Oxide__TE_784462135228_000 Unconstrained equilibrium crystal structure and energy of Nickel Oxide expressed in CHARMM-GUI INTERFACE atom types and bonding v000
EquilibriumCrystalStructure_Unconstrained_TypeLabels_PCFF_INTERFACE_Nickel__TE_780511124020_000 Unconstrained equilibrium crystal structure and energy of Nickel expressed in PCFF-INTERFACE atom types and bonding v000
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v001
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v001
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_007 Equilibrium zero-temperature lattice constant for bcc Ni v007
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_007 Equilibrium zero-temperature lattice constant for diamond Ni v007
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_007 Equilibrium zero-temperature lattice constant for fcc Ni v007
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_007 Equilibrium zero-temperature lattice constant for sc Ni v007
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_005 Equilibrium lattice constants for hcp Ni v005
LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_002 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v002
PhononDispersionCurve_fcc_Ni__TE_948896757313_004 Phonon dispersion relations for fcc Ni v004
StackingFaultFccCrystal_0bar_Ni__TE_566405684463_002 Stacking and twinning fault energies for fcc Ni v002
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_004 Broken-bond fit of high-symmetry surface energies in fcc Ni v004
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_001 Monovacancy formation energy and relaxation volume for fcc Ni
VacancyFormationMigration_fcc_Ni__TE_762881942024_001 Vacancy formation and migration energy for fcc Ni
No
Test Title
CohesiveEnergyVsLatticeConstant_bcc_No__TE_443921168140_004 Cohesive energy versus lattice constant curve for bcc No v004
CohesiveEnergyVsLatticeConstant_diamond_No__TE_719291772485_004 Cohesive energy versus lattice constant curve for diamond No v004
CohesiveEnergyVsLatticeConstant_fcc_No__TE_537700051726_004 Cohesive energy versus lattice constant curve for fcc No v004
CohesiveEnergyVsLatticeConstant_sc_No__TE_565996187442_004 Cohesive energy versus lattice constant curve for sc No v004
ElasticConstantsCubic_bcc_No__TE_331909235778_006 Elastic constants for bcc No at zero temperature v006
ElasticConstantsCubic_diamond_No__TE_366462057865_001 Elastic constants for diamond No at zero temperature v001
ElasticConstantsCubic_fcc_No__TE_648109002704_006 Elastic constants for fcc No at zero temperature v006
ElasticConstantsCubic_sc_No__TE_975621224609_006 Elastic constants for sc No at zero temperature v006
ElasticConstantsHexagonal_hcp_No__TE_768500947685_004 Elastic constants for hcp No at zero temperature v004
LatticeConstantCubicEnergy_bcc_No__TE_000013964803_007 Equilibrium zero-temperature lattice constant for bcc No v007
LatticeConstantCubicEnergy_diamond_No__TE_748999249813_007 Equilibrium zero-temperature lattice constant for diamond No v007
LatticeConstantCubicEnergy_fcc_No__TE_159085620595_007 Equilibrium zero-temperature lattice constant for fcc No v007
LatticeConstantCubicEnergy_sc_No__TE_243846330711_007 Equilibrium zero-temperature lattice constant for sc No v007
LatticeConstantHexagonalEnergy_hcp_No__TE_588473930627_005 Equilibrium lattice constants for hcp No v005
Np
Test Title
CohesiveEnergyVsLatticeConstant_bcc_Np__TE_213354311482_004 Cohesive energy versus lattice constant curve for bcc Np v004
CohesiveEnergyVsLatticeConstant_diamond_Np__TE_277434763471_004 Cohesive energy versus lattice constant curve for diamond Np v004
CohesiveEnergyVsLatticeConstant_fcc_Np__TE_299243797386_004 Cohesive energy versus lattice constant curve for fcc Np v004
CohesiveEnergyVsLatticeConstant_sc_Np__TE_416941459128_004 Cohesive energy versus lattice constant curve for sc Np v004
ElasticConstantsCubic_bcc_Np__TE_526707272413_006 Elastic constants for bcc Np at zero temperature v006
ElasticConstantsCubic_diamond_Np__TE_862515550913_001 Elastic constants for diamond Np at zero temperature v001
ElasticConstantsCubic_fcc_Np__TE_109667734803_006 Elastic constants for fcc Np at zero temperature v006
ElasticConstantsCubic_sc_Np__TE_969761406575_006 Elastic constants for sc Np at zero temperature v006
ElasticConstantsHexagonal_hcp_Np__TE_799886613330_004 Elastic constants for hcp Np at zero temperature v004
LatticeConstantCubicEnergy_bcc_Np__TE_276127307318_007 Equilibrium zero-temperature lattice constant for bcc Np v007
LatticeConstantCubicEnergy_diamond_Np__TE_362812502724_007 Equilibrium zero-temperature lattice constant for diamond Np v007
LatticeConstantCubicEnergy_fcc_Np__TE_467599604448_007 Equilibrium zero-temperature lattice constant for fcc Np v007
LatticeConstantCubicEnergy_sc_Np__TE_320012413460_007 Equilibrium zero-temperature lattice constant for sc Np v007
LatticeConstantHexagonalEnergy_hcp_Np__TE_398791170845_005 Equilibrium lattice constants for hcp Np v005
O
Test Title
CohesiveEnergyVsLatticeConstant_bcc_O__TE_308147440282_004 Cohesive energy versus lattice constant curve for bcc O v004
CohesiveEnergyVsLatticeConstant_diamond_O__TE_660951031036_004 Cohesive energy versus lattice constant curve for diamond O v004
CohesiveEnergyVsLatticeConstant_fcc_O__TE_170301474287_004 Cohesive energy versus lattice constant curve for fcc O v004
CohesiveEnergyVsLatticeConstant_sc_O__TE_235966530189_004 Cohesive energy versus lattice constant curve for sc O v004
ElasticConstantsCubic_bcc_O__TE_703936613419_006 Elastic constants for bcc O at zero temperature v006
ElasticConstantsCubic_diamond_O__TE_116186352380_001 Elastic constants for diamond O at zero temperature v001
ElasticConstantsCubic_fcc_O__TE_856088776494_006 Elastic constants for fcc O at zero temperature v006
ElasticConstantsCubic_sc_O__TE_538486289758_006 Elastic constants for sc O at zero temperature v006
ElasticConstantsHexagonal_hcp_O__TE_122316287618_004 Elastic constants for hcp O at zero temperature v004
EquilibriumCrystalStructure_A10B2C8D_aP42_2_10i_2i_8i_i_HNaOSi__TE_562221687527_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A10B2C8D_aP42_2_10i_2i_8i_i v001
EquilibriumCrystalStructure_A10B7C6_mP46_11_2e4f_e3f_2e2f_ClOSi__TE_622081084318_001 Equilibrium crystal structure and energy for ClOSi in AFLOW crystal prototype A10B7C6_mP46_11_2e4f_e3f_2e2f v001
EquilibriumCrystalStructure_A11B6_aP102_2_33i_18i_OTi__TE_507740945575_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A11B6_aP102_2_33i_18i v002
EquilibriumCrystalStructure_A11B6_aP34_2_11i_6i_OTi__TE_755943089861_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A11B6_aP34_2_11i_6i v002
EquilibriumCrystalStructure_A11B6_aP34_2_11i_6i_OV__TE_406259194195_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A11B6_aP34_2_11i_6i v002
EquilibriumCrystalStructure_A11B6_mC68_12_11i_6i_OTi__TE_614119825279_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A11B6_mC68_12_11i_6i v002
EquilibriumCrystalStructure_A12B2C9D_mP48_4_12a_2a_9a_a_HNaOSi__TE_537172192390_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A12B2C9D_mP48_4_12a_2a_9a_a v001
EquilibriumCrystalStructure_A12BC19_hP64_194_ab2fk_c_efh2k_AlCaO__TE_755412553249_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A12BC19_hP64_194_ab2fk_c_efh2k v001
EquilibriumCrystalStructure_A12BC27D4_hP44_147_2g_a_bd4g_2d_AlCaOSi__TE_048198231994_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A12BC27D4_hP44_147_2g_a_bd4g_2d v001
EquilibriumCrystalStructure_A13B6_mC38_12_a6i_3i_OV__TE_048595381137_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A13B6_mC38_12_a6i_3i v002
EquilibriumCrystalStructure_A15B8_aP46_2_15i_8i_OV__TE_834361931162_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A15B8_aP46_2_15i_8i v002
EquilibriumCrystalStructure_A17B9_aP52_2_17i_ac8i_OTi__TE_130215975087_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A17B9_aP52_2_17i_ac8i v002
EquilibriumCrystalStructure_A2B10C10D_mP92_14_2e_10e_10e_e_CHOV__TE_270910259529_001 Equilibrium crystal structure and energy for CHOV in AFLOW crystal prototype A2B10C10D_mP92_14_2e_10e_10e_e v001
EquilibriumCrystalStructure_A2B10C2D5_oP38_18_c_5c_c_a2c_CHNO__TE_506793158318_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B10C2D5_oP38_18_c_5c_c_a2c v001
EquilibriumCrystalStructure_A2B11C4_hR34_167_c_cef_be_AgOTa__TE_737214925626_001 Equilibrium crystal structure and energy for AgOTa in AFLOW crystal prototype A2B11C4_hR34_167_c_cef_be v001
EquilibriumCrystalStructure_A2B12C14D_mP58_13_g_6g_7g_e_CHNO__TE_476444307518_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B12C14D_mP58_13_g_6g_7g_e v001
EquilibriumCrystalStructure_A2B2C2D_oP28_62_2c_2c_2c_c_CHNO__TE_282668712810_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B2C2D_oP28_62_2c_2c_2c_c v001
EquilibriumCrystalStructure_A2B2C7D_tP24_113_e_e_cef_a_AlCaOSi__TE_286616190865_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2B2C7D_tP24_113_e_e_cef_a v001
EquilibriumCrystalStructure_A2B2C_oP10_58_g_g_a_HOV__TE_530927508463_001 Equilibrium crystal structure and energy for HOV in AFLOW crystal prototype A2B2C_oP10_58_g_g_a v001
EquilibriumCrystalStructure_A2B2C_oP20_19_2a_2a_a_HOZn__TE_373744919534_001 Equilibrium crystal structure and energy for HOZn in AFLOW crystal prototype A2B2C_oP20_19_2a_2a_a v001
EquilibriumCrystalStructure_A2B3_cI80_206_ad_e_CeO__TE_149372429295_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype A2B3_cI80_206_ad_e v002
EquilibriumCrystalStructure_A2B3_cI80_206_ad_e_FeO__TE_206617128577_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A2B3_cI80_206_ad_e v002
EquilibriumCrystalStructure_A2B3_cI80_206_ad_e_LaO__TE_464209079840_002 Equilibrium crystal structure and energy for LaO in AFLOW crystal prototype A2B3_cI80_206_ad_e v002
EquilibriumCrystalStructure_A2B3_cI80_206_ad_e_MnO__TE_636513606527_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype A2B3_cI80_206_ad_e v002
EquilibriumCrystalStructure_A2B3_cP10_224_b_d_AgO__TE_482879063541_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A2B3_cP10_224_b_d v002
EquilibriumCrystalStructure_A2B3_hP15_144_2a_3a_BO__TE_509726413662_002 Equilibrium crystal structure and energy for BO in AFLOW crystal prototype A2B3_hP15_144_2a_3a v002
EquilibriumCrystalStructure_A2B3_hP15_152_c_ac_BO__TE_676157938443_002 Equilibrium crystal structure and energy for BO in AFLOW crystal prototype A2B3_hP15_152_c_ac v002
EquilibriumCrystalStructure_A2B3_hP5_164_d_ad_LaO__TE_137976044611_002 Equilibrium crystal structure and energy for LaO in AFLOW crystal prototype A2B3_hP5_164_d_ad v002
EquilibriumCrystalStructure_A2B3_hP5_189_c_g_LaO__TE_416279781643_002 Equilibrium crystal structure and energy for LaO in AFLOW crystal prototype A2B3_hP5_189_c_g v002
EquilibriumCrystalStructure_A2B3_hR10_167_c_e_AlO__TE_909609001019_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_hR10_167_c_e v002
EquilibriumCrystalStructure_A2B3_hR10_167_c_e_CrO__TE_514337148724_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype A2B3_hR10_167_c_e v002
EquilibriumCrystalStructure_A2B3_hR10_167_c_e_FeO__TE_807158519456_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A2B3_hR10_167_c_e v002
EquilibriumCrystalStructure_A2B3_mC10_12_i_ai_AlO__TE_105933994061_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_mC10_12_i_ai v002
EquilibriumCrystalStructure_A2B3_mC10_12_i_ai_CeO__TE_178777543406_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype A2B3_mC10_12_i_ai v002
EquilibriumCrystalStructure_A2B3_mC10_5_c_ac_CeO__TE_419268883743_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype A2B3_mC10_5_c_ac v002
EquilibriumCrystalStructure_A2B3_mC20_12_2i_3i_AlO__TE_782207246136_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_mC20_12_2i_3i v002
EquilibriumCrystalStructure_A2B3_mC30_12_3i_a4i_CeO__TE_303699984913_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype A2B3_mC30_12_3i_a4i v002
EquilibriumCrystalStructure_A2B3_mC30_12_3i_a4i_LaO__TE_921467762871_002 Equilibrium crystal structure and energy for LaO in AFLOW crystal prototype A2B3_mC30_12_3i_a4i v002
EquilibriumCrystalStructure_A2B3_oC20_63_ac_cf_AlO__TE_419308996496_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_oC20_63_ac_cf v002
EquilibriumCrystalStructure_A2B3_oC20_63_ac_cf_FeO__TE_367439744216_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A2B3_oC20_63_ac_cf v002
EquilibriumCrystalStructure_A2B3_oF40_43_b_ab_AgO__TE_688808212627_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A2B3_oF40_43_b_ab v002
EquilibriumCrystalStructure_A2B3_oF40_43_b_ab_AuO__TE_250917537998_002 Equilibrium crystal structure and energy for AuO in AFLOW crystal prototype A2B3_oF40_43_b_ab v002
EquilibriumCrystalStructure_A2B3_oP20_19_2a_3a_NO__TE_542682942036_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype A2B3_oP20_19_2a_3a v002
EquilibriumCrystalStructure_A2B3_oP20_60_d_cd_AlO__TE_540015969494_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_oP20_60_d_cd v002
EquilibriumCrystalStructure_A2B3_oP20_60_d_cd_FeO__TE_795848573835_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A2B3_oP20_60_d_cd v002
EquilibriumCrystalStructure_A2B3_oP40_33_4a_6a_AlO__TE_125485218108_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_oP40_33_4a_6a v002
EquilibriumCrystalStructure_A2B3_oP40_33_4a_6a_FeO__TE_049130948746_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A2B3_oP40_33_4a_6a v002
EquilibriumCrystalStructure_A2B3C12D3_cI160_230_a_c_h_d_AlCaOSi__TE_726841659909_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2B3C12D3_cI160_230_a_c_h_d v001
EquilibriumCrystalStructure_A2B3C2_hR28_148_cf_2f_cf_ClOSi__TE_892962120856_001 Equilibrium crystal structure and energy for ClOSi in AFLOW crystal prototype A2B3C2_hR28_148_cf_2f_cf v001
EquilibriumCrystalStructure_A2B3C2_hR28_148_cf_2f_cf_HOSi__TE_807512122826_001 Equilibrium crystal structure and energy for HOSi in AFLOW crystal prototype A2B3C2_hR28_148_cf_2f_cf v001
EquilibriumCrystalStructure_A2B3C6_cP33_221_cd_ag_fh_AlCaO__TE_679085264884_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2B3C6_cP33_221_cd_ag_fh v001
EquilibriumCrystalStructure_A2B3C_oC24_36_b_ab_a_NaOSi__TE_999301811331_001 Equilibrium crystal structure and energy for NaOSi in AFLOW crystal prototype A2B3C_oC24_36_b_ab_a v001
EquilibriumCrystalStructure_A2B4C6D_oP52_54_f_2f_2c2f_c_CHOV__TE_917387636678_001 Equilibrium crystal structure and energy for CHOV in AFLOW crystal prototype A2B4C6D_oP52_54_f_2f_2c2f_c v001
EquilibriumCrystalStructure_A2B4C_hP14_164_abd_di_d_CaOSi__TE_993693478993_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_hP14_164_abd_di_d v001
EquilibriumCrystalStructure_A2B4C_hP14_186_ab_bc_b_CaOSi__TE_495301556776_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_hP14_186_ab_bc_b v001
EquilibriumCrystalStructure_A2B4C_mP28_14_2e_4e_e_CaOSi__TE_346749409904_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_mP28_14_2e_4e_e v001
EquilibriumCrystalStructure_A2B4C_mP56_14_4e_8e_2e_CaOSi__TE_768102092693_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_mP56_14_4e_8e_2e v001
EquilibriumCrystalStructure_A2B4C_oP84_33_6a_12a_3a_CaOSi__TE_069916940355_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_oP84_33_6a_12a_3a v001
EquilibriumCrystalStructure_A2B4C_tI14_139_e_ce_a_CaOSi__TE_350369237247_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_tI14_139_e_ce_a v001
EquilibriumCrystalStructure_A2B4CD2_mC36_12_2i_2j_g_j_CHNO__TE_242691144298_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B4CD2_mC36_12_2i_2j_g_j v001
EquilibriumCrystalStructure_A2B5_hP14_194_bc_fh_NO__TE_109700407269_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype A2B5_hP14_194_bc_fh v002
EquilibriumCrystalStructure_A2B5C2_mC18_12_i_a2i_i_HOV__TE_404641601029_001 Equilibrium crystal structure and energy for HOV in AFLOW crystal prototype A2B5C2_mC18_12_i_a2i_i v001
EquilibriumCrystalStructure_A2B5C_aP32_2_4i_10i_2i_AlOSi__TE_593017131292_001 Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_aP32_2_4i_10i_2i v001
EquilibriumCrystalStructure_A2B5C_mC32_15_f_e2f_c_AlOSi__TE_579458882692_001 Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_mC32_15_f_e2f_c v001
EquilibriumCrystalStructure_A2B5C_oC32_63_f_c2f_c_AlOSi__TE_119222726996_001 Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_oC32_63_f_c2f_c v001
EquilibriumCrystalStructure_A2B5C_oP32_58_eg_3gh_g_AlOSi__TE_168735777928_001 Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_oP32_58_eg_3gh_g v001
EquilibriumCrystalStructure_A2B5CD4_mP48_14_2e_5e_e_4e_CHNO__TE_154149627579_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B5CD4_mP48_14_2e_5e_e_4e v001
EquilibriumCrystalStructure_A2B5CD_hR54_161_2b_5b_b_b_CHNO__TE_288919937723_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B5CD_hR54_161_2b_5b_b_b v001
EquilibriumCrystalStructure_A2B6C4D_mP52_14_2e_6e_4e_e_CHNO__TE_394016799744_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B6C4D_mP52_14_2e_6e_4e_e v001
EquilibriumCrystalStructure_A2B6CD_oP40_59_ef_ef2g_ab_e_CHNO__TE_206186125589_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B6CD_oP40_59_ef_ef2g_ab_e v001
EquilibriumCrystalStructure_A2B7_mC36_15_f_e3f_ClO__TE_762684659304_001 Equilibrium crystal structure and energy for ClO in AFLOW crystal prototype A2B7_mC36_15_f_e3f v001
EquilibriumCrystalStructure_A2B7C2_mP44_14_2e_7e_2e_CeOSi__TE_733850881175_001 Equilibrium crystal structure and energy for CeOSi in AFLOW crystal prototype A2B7C2_mP44_14_2e_7e_2e v001
EquilibriumCrystalStructure_A2B7C3_mC48_15_f_e3f_af_NaOSi__TE_307687419783_001 Equilibrium crystal structure and energy for NaOSi in AFLOW crystal prototype A2B7C3_mC48_15_f_e3f_af v001
EquilibriumCrystalStructure_A2B7C3_mP48_14_2e_7e_3e_NaOSi__TE_947500728178_001 Equilibrium crystal structure and energy for NaOSi in AFLOW crystal prototype A2B7C3_mP48_14_2e_7e_3e v001
EquilibriumCrystalStructure_A2B7C7D6_aP44_2_2i_7i_7i_6i_CHNO__TE_873344092083_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B7C7D6_aP44_2_2i_7i_7i_6i v001
EquilibriumCrystalStructure_A2B8C2D3_oP60_33_2a_8a_2a_3a_CHNO__TE_013126159028_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C2D3_oP60_33_2a_8a_2a_3a v001
EquilibriumCrystalStructure_A2B8C6D3_mP76_14_2e_8e_6e_3e_CHNO__TE_627320406759_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C6D3_mP76_14_2e_8e_6e_3e v001
EquilibriumCrystalStructure_A2B8C6D7_mC92_15_2e_4f_2e2f_e3f_CHNO__TE_215701241474_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B8C6D7_mC92_15_2e_4f_2e2f_e3f v001
EquilibriumCrystalStructure_A2B9C11D8_mC120_15_f_e4f_e5f_4f_CHNO__TE_357033213726_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C11D8_mC120_15_f_e4f_e5f_4f v001
EquilibriumCrystalStructure_A2B9C3D3_oP68_33_2a_9a_3a_3a_CHNO__TE_165371576078_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C3D3_oP68_33_2a_9a_3a_3a v001
EquilibriumCrystalStructure_A2B9C7D6_oP96_29_2a_9a_7a_6a_CHNO__TE_636090065077_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C7D6_oP96_29_2a_9a_7a_6a v001
EquilibriumCrystalStructure_A2B9C9D6_aP52_2_2i_9i_9i_6i_CHNO__TE_850841302444_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A2B9C9D6_aP52_2_2i_9i_9i_6i v001
EquilibriumCrystalStructure_A2B_aP12_1_8a_4a_OSi__TE_813636514567_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP12_1_8a_4a v002
EquilibriumCrystalStructure_A2B_aP18_1_12a_6a_OSi__TE_428819500909_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP18_1_12a_6a v002
EquilibriumCrystalStructure_A2B_aP24_1_16a_8a_OSi__TE_031426928568_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP24_1_16a_8a v002
EquilibriumCrystalStructure_A2B_aP36_1_24a_12a_HO__TE_039698254090_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_aP36_1_24a_12a v002
EquilibriumCrystalStructure_A2B_aP36_1_24a_12a_OSi__TE_595113328557_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP36_1_24a_12a v002
EquilibriumCrystalStructure_A2B_aP48_2_16i_8i_OSi__TE_273446210186_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP48_2_16i_8i v002
EquilibriumCrystalStructure_A2B_aP54_1_36a_18a_OSi__TE_341741711135_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP54_1_36a_18a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_AlO__TE_415879958980_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_NaO__TE_567567321313_001 Equilibrium crystal structure and energy for NaO in AFLOW crystal prototype A2B_cF12_225_c_a v001
EquilibriumCrystalStructure_A2B_cF12_225_c_a_OSi__TE_784057173480_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF12_225_c_a_OTi__TE_715052476429_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_cF12_225_c_a v002
EquilibriumCrystalStructure_A2B_cF144_210_fg_g_OSi__TE_234537193690_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF144_210_fg_g v002
EquilibriumCrystalStructure_A2B_cF24_227_c_a_OSi__TE_680229912653_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF24_227_c_a v002
EquilibriumCrystalStructure_A2B_cF408_227_efgh_aeg_OSi__TE_165801211438_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF408_227_efgh_aeg v002
EquilibriumCrystalStructure_A2B_cF96_227_cf_e_OSi__TE_981478359585_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF96_227_cf_e v002
EquilibriumCrystalStructure_A2B_cI144_206_2de_e_OSi__TE_962348348382_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI144_206_2de_e v002
EquilibriumCrystalStructure_A2B_cI36_217_g_d_OSi__TE_135951743287_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI36_217_g_d v002
EquilibriumCrystalStructure_A2B_cI48_206_ad_c_OSi__TE_583142986796_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI48_206_ad_c v002
EquilibriumCrystalStructure_A2B_cI72_199_2bc_c_OSi__TE_539662527423_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI72_199_2bc_c v002
EquilibriumCrystalStructure_A2B_cI72_211_hi_i_OSi__TE_959005171648_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI72_211_hi_i v002
EquilibriumCrystalStructure_A2B_cI72_230_g_d_OSi__TE_794823886468_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI72_230_g_d v002
EquilibriumCrystalStructure_A2B_cP12_205_c_a_NO__TE_295695924535_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype A2B_cP12_205_c_a v002
EquilibriumCrystalStructure_A2B_cP12_205_c_a_OSi__TE_123526066004_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP12_205_c_a v002
EquilibriumCrystalStructure_A2B_cP12_205_c_a_OTi__TE_563391191708_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_cP12_205_c_a v002
EquilibriumCrystalStructure_A2B_cP12_205_c_a_OZn__TE_126082600124_002 Equilibrium crystal structure and energy for OZn in AFLOW crystal prototype A2B_cP12_205_c_a v002
EquilibriumCrystalStructure_A2B_cP144_224_ij2k_l_OSi__TE_284121434072_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP144_224_ij2k_l v002
EquilibriumCrystalStructure_A2B_cP24_198_ab_2a_OSi__TE_681860204966_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP24_198_ab_2a v002
EquilibriumCrystalStructure_A2B_cP36_195_fgj_j_OSi__TE_893652533827_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP36_195_fgj_j v002
EquilibriumCrystalStructure_A2B_cP6_224_b_a_AgO__TE_603633842937_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A2B_cP6_224_b_a v002
EquilibriumCrystalStructure_A2B_cP72_205_2d_d_OSi__TE_097269814262_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP72_205_2d_d v002
EquilibriumCrystalStructure_A2B_cP72_223_jk_j_OSi__TE_618280559399_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP72_223_jk_j v002
EquilibriumCrystalStructure_A2B_hP12_182_cg_f_OSi__TE_941881542453_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP12_182_cg_f v002
EquilibriumCrystalStructure_A2B_hP12_194_cg_f_OSi__TE_333088195137_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP12_194_cg_f v002
EquilibriumCrystalStructure_A2B_hP18_162_fgi_k_OSi__TE_423516827958_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP18_162_fgi_k v002
EquilibriumCrystalStructure_A2B_hP18_179_ab_b_OSi__TE_916589717491_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP18_179_ab_b v002
EquilibriumCrystalStructure_A2B_hP18_194_gh_h_OSi__TE_320916973794_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP18_194_gh_h v002
EquilibriumCrystalStructure_A2B_hP36_162_2ijk_l_OSi__TE_829448869064_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_162_2ijk_l v002
EquilibriumCrystalStructure_A2B_hP36_163_g3h_i_OSi__TE_573872672238_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_163_g3h_i v002
EquilibriumCrystalStructure_A2B_hP36_163_ghi_i_OSi__TE_468009539844_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_163_ghi_i v002
EquilibriumCrystalStructure_A2B_hP36_177_j2lm_n_OSi__TE_916072047782_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_177_j2lm_n v002
EquilibriumCrystalStructure_A2B_hP36_177_jk2l_n_OSi__TE_726848871877_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_177_jk2l_n v002
EquilibriumCrystalStructure_A2B_hP36_181_fhij_k_OSi__TE_823047887760_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_181_fhij_k v002
EquilibriumCrystalStructure_A2B_hP36_185_2cd_2c_HO__TE_532072794625_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_hP36_185_2cd_2c v002
EquilibriumCrystalStructure_A2B_hP36_194_ghk_k_OSi__TE_611778767816_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_194_ghk_k v002
EquilibriumCrystalStructure_A2B_hP3_164_d_a_AgO__TE_984062011706_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A2B_hP3_164_d_a v002
EquilibriumCrystalStructure_A2B_hP72_180_4k_gik_OSi__TE_448539547443_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP72_180_4k_gik v002
EquilibriumCrystalStructure_A2B_hP9_152_c_a_OTi__TE_699993607417_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_hP9_152_c_a v002
EquilibriumCrystalStructure_A2B_hP9_154_c_a_OSi__TE_651770580660_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP9_154_c_a v002
EquilibriumCrystalStructure_A2B_hP9_180_i_d_OSi__TE_730691819333_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP9_180_i_d v002
EquilibriumCrystalStructure_A2B_hP9_189_fg_ad_OTi__TE_445949193293_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_hP9_189_fg_ad v002
EquilibriumCrystalStructure_A2B_hR18_148_2f_f_OSi__TE_962610888678_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_148_2f_f v002
EquilibriumCrystalStructure_A2B_hR18_148_def_f_OSi__TE_670540548411_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_148_def_f v002
EquilibriumCrystalStructure_A2B_hR18_166_def_h_OSi__TE_204444213894_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_166_def_h v002
EquilibriumCrystalStructure_A2B_hR18_167_de_e_OSi__TE_925148455426_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_167_de_e v002
EquilibriumCrystalStructure_A2B_hR36_166_2fgh_i_OSi__TE_623088552051_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_166_2fgh_i v002
EquilibriumCrystalStructure_A2B_hR36_166_fg2h_i_OSi__TE_789452822366_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_166_fg2h_i v002
EquilibriumCrystalStructure_A2B_hR36_167_d3e_f_OSi__TE_625712502451_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_167_d3e_f v002
EquilibriumCrystalStructure_A2B_hR36_167_def_f_OSi__TE_361005305739_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_167_def_f v002
EquilibriumCrystalStructure_A2B_hR72_148_8f_4f_OSi__TE_935692478064_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR72_148_8f_4f v002
EquilibriumCrystalStructure_A2B_hR9_155_de_e_OSi__TE_623947978321_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR9_155_de_e v002
EquilibriumCrystalStructure_A2B_mC12_12_2i_i_BO__TE_118337720120_002 Equilibrium crystal structure and energy for BO in AFLOW crystal prototype A2B_mC12_12_2i_i v002
EquilibriumCrystalStructure_A2B_mC168_12_e7i10j_7j_OSi__TE_783988653646_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC168_12_e7i10j_7j v002
EquilibriumCrystalStructure_A2B_mC18_5_3c_ac_OSi__TE_817043006487_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC18_5_3c_ac v002
EquilibriumCrystalStructure_A2B_mC24_12_2ij_gi_OV__TE_726691108508_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A2B_mC24_12_2ij_gi v002
EquilibriumCrystalStructure_A2B_mC24_12_4i_2i_OTi__TE_723464154346_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_mC24_12_4i_2i v002
EquilibriumCrystalStructure_A2B_mC24_12_4i_2i_OV__TE_760850218353_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A2B_mC24_12_4i_2i v002
EquilibriumCrystalStructure_A2B_mC24_15_aef_f_OSi__TE_845021660642_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_15_aef_f v002
EquilibriumCrystalStructure_A2B_mC24_15_cef_f_OSi__TE_618146135099_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_15_cef_f v002
EquilibriumCrystalStructure_A2B_mC24_5_4c_2c_OSi__TE_160891253374_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_5_4c_2c v002
EquilibriumCrystalStructure_A2B_mC24_5_ab3c_2c_OSi__TE_070695330402_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_5_ab3c_2c v002
EquilibriumCrystalStructure_A2B_mC24_9_4a_2a_OSi__TE_330241945164_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_9_4a_2a v002
EquilibriumCrystalStructure_A2B_mC48_15_2e3f_2f_OP__TE_202587514422_002 Equilibrium crystal structure and energy for OP in AFLOW crystal prototype A2B_mC48_15_2e3f_2f v002
EquilibriumCrystalStructure_A2B_mC48_15_ae3f_2f_OSi__TE_961731515278_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC48_15_ae3f_2f v002
EquilibriumCrystalStructure_A2B_mC72_12_2ghi4j_3j_OSi__TE_425917424572_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_12_2ghi4j_3j v002
EquilibriumCrystalStructure_A2B_mC72_12_eg2i4j_3j_OSi__TE_097617422709_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_12_eg2i4j_3j v002
EquilibriumCrystalStructure_A2B_mC72_12_gh2i4j_3j_OSi__TE_622010586735_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_12_gh2i4j_3j v002
EquilibriumCrystalStructure_A2B_mC72_5_12c_ab5c_OSi__TE_992161688263_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_5_12c_ab5c v002
EquilibriumCrystalStructure_A2B_mC72_8_4a10b_6b_OSi__TE_714535878880_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_8_4a10b_6b v002
EquilibriumCrystalStructure_A2B_mC96_12_4i6j_2i3j_OSi__TE_127797938559_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC96_12_4i6j_2i3j v002
EquilibriumCrystalStructure_A2B_mC96_12_g3i6j_4j_OSi__TE_564318276363_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC96_12_g3i6j_4j v002
EquilibriumCrystalStructure_A2B_mP12_10_2mo_im_OV__TE_014925775698_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A2B_mP12_10_2mo_im v002
EquilibriumCrystalStructure_A2B_mP12_11_4e_2e_OTi__TE_471124954540_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_mP12_11_4e_2e v002
EquilibriumCrystalStructure_A2B_mP12_13_abce_g_OSi__TE_385548005921_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_13_abce_g v002
EquilibriumCrystalStructure_A2B_mP12_14_2e_e_OTi__TE_959861315806_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_mP12_14_2e_e v002
EquilibriumCrystalStructure_A2B_mP12_14_2e_e_OV__TE_287272591346_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A2B_mP12_14_2e_e v002
EquilibriumCrystalStructure_A2B_mP12_3_ab3e_2e_OSi__TE_476885725747_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_3_ab3e_2e v002
EquilibriumCrystalStructure_A2B_mP12_4_4a_2a_HO__TE_477223945963_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_mP12_4_4a_2a v002
EquilibriumCrystalStructure_A2B_mP12_4_4a_2a_OSi__TE_707745353829_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_4_4a_2a v002
EquilibriumCrystalStructure_A2B_mP12_6_2a2b2c_2a2b_OSi__TE_743393512454_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_6_2a2b2c_2a2b v002
EquilibriumCrystalStructure_A2B_mP12_7_4a_2a_OSi__TE_145593446136_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_7_4a_2a v002
EquilibriumCrystalStructure_A2B_mP24_14_4e_2e_OSi__TE_659061165528_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP24_14_4e_2e v002
EquilibriumCrystalStructure_A2B_mP36_4_12a_6a_HO__TE_485558827238_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_mP36_4_12a_6a v002
EquilibriumCrystalStructure_A2B_mP48_14_8e_4e_OSi__TE_593374110990_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP48_14_8e_4e v002
EquilibriumCrystalStructure_A2B_mP48_14_ad7e_4e_OSi__TE_858116537539_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP48_14_ad7e_4e v002
EquilibriumCrystalStructure_A2B_mP54_13_ae8g_f4g_OSi__TE_037417537125_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP54_13_ae8g_f4g v002
EquilibriumCrystalStructure_A2B_mP6_14_e_a_OV__TE_724528737325_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A2B_mP6_14_e_a v002
EquilibriumCrystalStructure_A2B_mP84_10_i4m3n10o_7o_OSi__TE_657541503805_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP84_10_i4m3n10o_7o v002
EquilibriumCrystalStructure_A2B_oC108_63_acd2fg2h_cfgh_OSi__TE_749480848270_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC108_63_acd2fg2h_cfgh v002
EquilibriumCrystalStructure_A2B_oC108_65_ehnopq2r_gopr_OSi__TE_396469112748_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC108_65_ehnopq2r_gopr v002
EquilibriumCrystalStructure_A2B_oC24_20_abc_c_OSi__TE_231798503784_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC24_20_abc_c v002
EquilibriumCrystalStructure_A2B_oC24_35_abdf_de_OTi__TE_037677393530_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_oC24_35_abdf_de v002
EquilibriumCrystalStructure_A2B_oC48_63_defg_h_OSi__TE_180202932568_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC48_63_defg_h v002
EquilibriumCrystalStructure_A2B_oC48_64_cdef_g_OSi__TE_871868803345_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC48_64_cdef_g v002
EquilibriumCrystalStructure_A2B_oC48_68_cegh_i_OSi__TE_219182486265_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC48_68_cegh_i v002
EquilibriumCrystalStructure_A2B_oC72_36_2a5b_2a2b_OSi__TE_587825427975_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC72_36_2a5b_2a2b v002
EquilibriumCrystalStructure_A2B_oC72_63_def3g_2c2g_OSi__TE_007200981316_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC72_63_def3g_2c2g v002
EquilibriumCrystalStructure_A2B_oC96_21_2ehk6l_4l_OSi__TE_931965624059_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC96_21_2ehk6l_4l v002
EquilibriumCrystalStructure_A2B_oF216_69_himn3p_f2mp_OSi__TE_518000186459_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oF216_69_himn3p_f2mp v002
EquilibriumCrystalStructure_A2B_oF48_70_ce_f_OSi__TE_832760494003_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oF48_70_ce_f v002
EquilibriumCrystalStructure_A2B_oF96_70_c2ef_h_OSi__TE_920012376260_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oF96_70_c2ef_h v002
EquilibriumCrystalStructure_A2B_oI108_71_egkl2n2o_hlno_OSi__TE_829337105572_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oI108_71_egkl2n2o_hlno v002
EquilibriumCrystalStructure_A2B_oI24_24_bcd_2a_OSi__TE_643664043035_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oI24_24_bcd_2a v002
EquilibriumCrystalStructure_A2B_oI24_46_abc_c_OSi__TE_071856568924_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oI24_46_abc_c v002
EquilibriumCrystalStructure_A2B_oI48_72_cdefg_k_HO__TE_519646948621_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_oI48_72_cdefg_k v002
EquilibriumCrystalStructure_A2B_oP12_33_2a_a_OSi__TE_336733132384_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP12_33_2a_a v002
EquilibriumCrystalStructure_A2B_oP12_60_d_c_OSi__TE_331391835820_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP12_60_d_c v002
EquilibriumCrystalStructure_A2B_oP12_60_d_c_OTi__TE_511985619053_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_oP12_60_d_c v002
EquilibriumCrystalStructure_A2B_oP12_62_2c_c_OTi__TE_093626826467_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_oP12_62_2c_c v002
EquilibriumCrystalStructure_A2B_oP24_19_4a_2a_OSi__TE_001581841894_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_19_4a_2a v002
EquilibriumCrystalStructure_A2B_oP24_48_eghi_m_OSi__TE_651312280039_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_48_eghi_m v002
EquilibriumCrystalStructure_A2B_oP24_50_eghi_m_OSi__TE_510827744538_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_50_eghi_m v002
EquilibriumCrystalStructure_A2B_oP24_54_abcd_f_OSi__TE_094458284460_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_54_abcd_f v002
EquilibriumCrystalStructure_A2B_oP24_54_acde_f_OSi__TE_914550961139_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_54_acde_f v002
EquilibriumCrystalStructure_A2B_oP24_56_ace_e_OSi__TE_734522355669_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_56_ace_e v002
EquilibriumCrystalStructure_A2B_oP24_61_2c_c_OTi__TE_210302675418_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_oP24_61_2c_c v002
EquilibriumCrystalStructure_A2B_oP36_19_6a_3a_HO__TE_357941691185_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_oP36_19_6a_3a v002
EquilibriumCrystalStructure_A2B_oP36_60_3d_cd_OSi__TE_344528488874_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP36_60_3d_cd v002
EquilibriumCrystalStructure_A2B_oP48_55_gh3i_2i_OSi__TE_446618038644_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP48_55_gh3i_2i v002
EquilibriumCrystalStructure_A2B_oP6_58_g_a_OV__TE_918653397120_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A2B_oP6_58_g_a v002
EquilibriumCrystalStructure_A2B_oP72_19_12a_6a_OSi__TE_973790283463_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP72_19_12a_6a v002
EquilibriumCrystalStructure_A2B_tI12_122_d_a_OSi__TE_159865954582_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI12_122_d_a v002
EquilibriumCrystalStructure_A2B_tI12_141_e_a_OTi__TE_425968700390_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_tI12_141_e_a v002
EquilibriumCrystalStructure_A2B_tI24_139_hi_j_OV__TE_131116556785_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A2B_tI24_139_hi_j v002
EquilibriumCrystalStructure_A2B_tI24_141_h_c_OTi__TE_992143657408_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_tI24_141_h_c v002
EquilibriumCrystalStructure_A2B_tI24_141_h_e_ClO__TE_262884657419_001 Equilibrium crystal structure and energy for ClO in AFLOW crystal prototype A2B_tI24_141_h_e v001
EquilibriumCrystalStructure_A2B_tI24_82_2g_g_OSi__TE_696282556731_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI24_82_2g_g v002
EquilibriumCrystalStructure_A2B_tI24_87_2h_h_OV__TE_923342513606_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A2B_tI24_87_2h_h v002
EquilibriumCrystalStructure_A2B_tI24_98_ce_f_OSi__TE_584982363718_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI24_98_ce_f v002
EquilibriumCrystalStructure_A2B_tI48_120_ehi_i_OSi__TE_656863475161_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_120_ehi_i v002
EquilibriumCrystalStructure_A2B_tI48_121_2ij_fi_OSi__TE_670403326414_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_121_2ij_fi v002
EquilibriumCrystalStructure_A2B_tI48_121_fij_j_OSi__TE_094587263315_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_121_fij_j v002
EquilibriumCrystalStructure_A2B_tI48_98_2cef_g_OSi__TE_793531032867_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_98_2cef_g v002
EquilibriumCrystalStructure_A2B_tI96_140_ehlm_jl_OSi__TE_321321594403_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_140_ehlm_jl v002
EquilibriumCrystalStructure_A2B_tI96_140_ijkl_m_OSi__TE_352924878563_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_140_ijkl_m v002
EquilibriumCrystalStructure_A2B_tI96_141_cehi_gh_OSi__TE_258972532701_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_141_cehi_gh v002
EquilibriumCrystalStructure_A2B_tI96_141_fg2h_i_OSi__TE_857036060021_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_141_fg2h_i v002
EquilibriumCrystalStructure_A2B_tP12_92_b_a_OSi__TE_521340331467_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP12_92_b_a v002
EquilibriumCrystalStructure_A2B_tP24_116_eij_j_OSi__TE_313512372316_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_116_eij_j v002
EquilibriumCrystalStructure_A2B_tP24_118_fhi_i_OSi__TE_424336884347_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_118_fhi_i v002
EquilibriumCrystalStructure_A2B_tP24_125_efk_m_OSi__TE_643358997605_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_125_efk_m v002
EquilibriumCrystalStructure_A2B_tP24_132_fil_n_OSi__TE_471973675360_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_132_fil_n v002
EquilibriumCrystalStructure_A2B_tP24_95_bcd_d_OSi__TE_607870688169_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_95_bcd_d v002
EquilibriumCrystalStructure_A2B_tP36_92_3b_ab_HO__TE_668914490960_002 Equilibrium crystal structure and energy for HO in AFLOW crystal prototype A2B_tP36_92_3b_ab v002
EquilibriumCrystalStructure_A2B_tP36_92_3b_ab_OSi__TE_979238371585_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP36_92_3b_ab v002
EquilibriumCrystalStructure_A2B_tP36_96_3b_ab_OSi__TE_972884864640_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP36_96_3b_ab v002
EquilibriumCrystalStructure_A2B_tP3_123_h_a_OSi__TE_917842393284_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP3_123_h_a v002
EquilibriumCrystalStructure_A2B_tP48_114_4e_2e_OSi__TE_993626622261_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_114_4e_2e v002
EquilibriumCrystalStructure_A2B_tP48_125_ijlm_n_OSi__TE_595313530112_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_125_ijlm_n v002
EquilibriumCrystalStructure_A2B_tP48_126_f2hi_k_OSi__TE_648719214654_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_126_f2hi_k v002
EquilibriumCrystalStructure_A2B_tP48_126_fik_k_OSi__TE_709971288684_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_126_fik_k v002
EquilibriumCrystalStructure_A2B_tP48_130_2g_g_OV__TE_809463618927_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A2B_tP48_130_2g_g v002
EquilibriumCrystalStructure_A2B_tP48_133_hjk_k_OSi__TE_064843131581_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_133_hjk_k v002
EquilibriumCrystalStructure_A2B_tP48_138_2ij_j_OV__TE_073665537585_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A2B_tP48_138_2ij_j v002
EquilibriumCrystalStructure_A2B_tP48_85_4g_2g_OSi__TE_937854359416_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_85_4g_2g v002
EquilibriumCrystalStructure_A2B_tP6_136_f_a_OSi__TE_064141520894_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP6_136_f_a v002
EquilibriumCrystalStructure_A2B_tP6_136_f_a_OTa__TE_684807363317_002 Equilibrium crystal structure and energy for OTa in AFLOW crystal prototype A2B_tP6_136_f_a v002
EquilibriumCrystalStructure_A2B_tP6_136_f_a_OTi__TE_897320102191_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A2B_tP6_136_f_a v002
EquilibriumCrystalStructure_A2B_tP6_136_f_a_OV__TE_404398135056_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A2B_tP6_136_f_a v002
EquilibriumCrystalStructure_A2B_tP96_127_fg2jk2l_jkl_OSi__TE_447368125383_002 Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP96_127_fg2jk2l_jkl v002
EquilibriumCrystalStructure_A2BC2_mP20_11_4e_2e_4e_CHO__TE_964651700599_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype A2BC2_mP20_11_4e_2e_4e v001
EquilibriumCrystalStructure_A2BC4_hP42_173_2c_a2b_4c_AlCaO__TE_975747407446_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_hP42_173_2c_a2b_4c v001
EquilibriumCrystalStructure_A2BC4_mP14_11_2e_e_4e_AlCaO__TE_217064445928_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_mP14_11_2e_e_4e v001
EquilibriumCrystalStructure_A2BC4_mP56_14_4e_2e_8e_AlCaO__TE_407849230210_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_mP56_14_4e_2e_8e v001
EquilibriumCrystalStructure_A2BC8D2_aP104_2_8i_4i_32i_8i_AlCaOSi__TE_768530464635_001 Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2BC8D2_aP104_2_8i_4i_32i_8i v001
EquilibriumCrystalStructure_A2BC_aP16_2_4i_2i_2i_ClOSi__TE_483989840929_001 Equilibrium crystal structure and energy for ClOSi in AFLOW crystal prototype A2BC_aP16_2_4i_2i_2i v001
EquilibriumCrystalStructure_A2BC_aP24_2_6i_3i_3i_ClOSi__TE_771301094805_001 Equilibrium crystal structure and energy for ClOSi in AFLOW crystal prototype A2BC_aP24_2_6i_3i_3i v001
EquilibriumCrystalStructure_A3B20C4D10_oF148_42_ac_2c4e_e_2a4c_CHNO__TE_503683569064_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B20C4D10_oF148_42_ac_2c4e_e_2a4c v001
EquilibriumCrystalStructure_A3B2_cI80_206_e_ad_OV__TE_796835473072_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A3B2_cI80_206_e_ad v002
EquilibriumCrystalStructure_A3B2_hR10_167_e_c_OTi__TE_133788721506_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A3B2_hR10_167_e_c v002
EquilibriumCrystalStructure_A3B2_hR10_167_e_c_OV__TE_575896261977_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A3B2_hR10_167_e_c v002
EquilibriumCrystalStructure_A3B2_mC20_12_3i_2i_OTa__TE_755036936743_002 Equilibrium crystal structure and energy for OTa in AFLOW crystal prototype A3B2_mC20_12_3i_2i v002
EquilibriumCrystalStructure_A3B2_mP20_11_2e2f_2ef_OP__TE_404710699743_002 Equilibrium crystal structure and energy for OP in AFLOW crystal prototype A3B2_mP20_11_2e2f_2ef v002
EquilibriumCrystalStructure_A3B2_oP20_62_3c_2c_OTi__TE_580441080344_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A3B2_oP20_62_3c_2c v002
EquilibriumCrystalStructure_A3B2_oP40_62_a3cd_2cd_CO__TE_148760763353_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype A3B2_oP40_62_a3cd_2cd v002
EquilibriumCrystalStructure_A3B2C4_tP36_76_3a_2a_4a_CHO__TE_365702407604_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype A3B2C4_tP36_76_3a_2a_4a v001
EquilibriumCrystalStructure_A3B3C5D_mP48_14_3e_3e_5e_e_HNaOSi__TE_281534361743_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A3B3C5D_mP48_14_3e_3e_5e_e v001
EquilibriumCrystalStructure_A3B3C_oP56_33_6a_6a_2a_HOP__TE_631115854271_001 Equilibrium crystal structure and energy for HOP in AFLOW crystal prototype A3B3C_oP56_33_6a_6a_2a v001
EquilibriumCrystalStructure_A3B4_cF56_216_abe_2e_FeO__TE_148339063997_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_cF56_216_abe_2e v002
EquilibriumCrystalStructure_A3B4_cF56_227_ad_e_FeO__TE_092774254312_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_cF56_227_ad_e v002
EquilibriumCrystalStructure_A3B4_hR14_166_acd_ch_FeO__TE_452381651721_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_hR14_166_acd_ch v002
EquilibriumCrystalStructure_A3B4_mP14_14_ae_2e_AgO__TE_886292515942_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A3B4_mP14_14_ae_2e v002
EquilibriumCrystalStructure_A3B4_mP28_10_acehmno_2m2n2o_FeO__TE_682231043377_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_mP28_10_acehmno_2m2n2o v002
EquilibriumCrystalStructure_A3B4_oC28_63_cf_acf_FeO__TE_759388705407_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_oC28_63_cf_acf v002
EquilibriumCrystalStructure_A3B4_oI28_74_ace_hi_FeO__TE_897775676812_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_oI28_74_ace_hi v002
EquilibriumCrystalStructure_A3B4_oP28_57_de_cde_FeO__TE_878018485520_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_oP28_57_de_cde v002
EquilibriumCrystalStructure_A3B4_oP28_57_de_cde_MnO__TE_588551537319_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype A3B4_oP28_57_de_cde v002
EquilibriumCrystalStructure_A3B4_oP56_57_ac4d_4d2e_FeO__TE_059326389064_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A3B4_oP56_57_ac4d_4d2e v002
EquilibriumCrystalStructure_A3B4_tI28_141_ad_h_MnO__TE_730182738537_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype A3B4_tI28_141_ad_h v002
EquilibriumCrystalStructure_A3B4C_mP32_14_3e_4e_e_HOP__TE_641887400425_001 Equilibrium crystal structure and energy for HOP in AFLOW crystal prototype A3B4C_mP32_14_3e_4e_e v001
EquilibriumCrystalStructure_A3B5C5D_mP56_14_3e_5e_5e_e_CHNO__TE_673582892737_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B5C5D_mP56_14_3e_5e_5e_e v001
EquilibriumCrystalStructure_A3B5C_hR27_160_3b_6a3b_3a_CaOSi__TE_045090439189_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A3B5C_hR27_160_3b_6a3b_3a v001
EquilibriumCrystalStructure_A3B5C_mC54_8_3a3b_9a3b_3a_CaOSi__TE_115448101381_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A3B5C_mC54_8_3a3b_9a3b_3a v001
EquilibriumCrystalStructure_A3B6C2D2_mP52_14_3e_6e_2e_2e_CHNO__TE_774790584207_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B6C2D2_mP52_14_3e_6e_2e_2e v001
EquilibriumCrystalStructure_A3B6C4D3_mC128_15_3f_6f_4f_3f_CHNO__TE_406261794933_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B6C4D3_mC128_15_3f_6f_4f_3f v001
EquilibriumCrystalStructure_A3B7_mC20_12_ai_d3i_OV__TE_689567556384_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A3B7_mC20_12_ai_d3i v002
EquilibriumCrystalStructure_A3B7C2_oI96_46_ab2c_2b6c_abc_CaOSi__TE_752265063065_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A3B7C2_oI96_46_ab2c_2b6c_abc v001
EquilibriumCrystalStructure_A3B7C3D5_mC72_15_ef_e3f_ef_e2f_CHNO__TE_338644039739_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B7C3D5_mC72_15_ef_e3f_ef_e2f v001
EquilibriumCrystalStructure_A3B8_mC22_12_ai_2ij_CrO__TE_799796184536_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype A3B8_mC22_12_ai_2ij v002
EquilibriumCrystalStructure_A3B8C2_mP52_14_3e_8e_2e_CHO__TE_885859046696_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype A3B8C2_mP52_14_3e_8e_2e v001
EquilibriumCrystalStructure_A3B8C2D_aP56_2_6i_16i_4i_2i_CHNO__TE_118359337130_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B8C2D_aP56_2_6i_16i_4i_2i v001
EquilibriumCrystalStructure_A3B8C3D3_mP68_14_3e_8e_3e_3e_CHNO__TE_931378353295_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B8C3D3_mP68_14_3e_8e_3e_3e v001
EquilibriumCrystalStructure_A3B9C3D2_oP68_19_3a_9a_3a_2a_CHNO__TE_084777715347_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A3B9C3D2_oP68_19_3a_9a_3a_2a v001
EquilibriumCrystalStructure_A3B_cP8_223_c_a_CrO__TE_873824590709_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype A3B_cP8_223_c_a v002
EquilibriumCrystalStructure_A3B_hP8_162_k_c_AgO__TE_074160167430_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype A3B_hP8_162_k_c v002
EquilibriumCrystalStructure_A3BC2_oP48_61_3c_c_2c_HNaO__TE_943186678014_001 Equilibrium crystal structure and energy for HNaO in AFLOW crystal prototype A3BC2_oP48_61_3c_c_2c v001
EquilibriumCrystalStructure_A3BC6D2_oF192_43_3b_b_6b_2b_HNaOSi__TE_621260419910_001 Equilibrium crystal structure and energy for HNaOSi in AFLOW crystal prototype A3BC6D2_oF192_43_3b_b_6b_2b v001
EquilibriumCrystalStructure_A4B11CD10_aP52_2_4i_11i_i_10i_CHNO__TE_395540322167_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A4B11CD10_aP52_2_4i_11i_i_10i v001
EquilibriumCrystalStructure_A4B12C3D2_mC84_15_2f_6f_ef_f_CHOP__TE_967232307535_001 Equilibrium crystal structure and energy for CHOP in AFLOW crystal prototype A4B12C3D2_mC84_15_2f_6f_ef_f v001
EquilibriumCrystalStructure_A4B2C11D3_oC160_40_2a2b2c_2bc_2b10c_3c_CaHOSi__TE_289163277807_001 Equilibrium crystal structure and energy for CaHOSi in AFLOW crystal prototype A4B2C11D3_oC160_40_2a2b2c_2bc_2b10c_3c v001
EquilibriumCrystalStructure_A4B2C3_oP18_59_ef_ab_ae_HNO__TE_231215089601_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A4B2C3_oP18_59_ef_ab_ae v001
EquilibriumCrystalStructure_A4B2C3_oP72_56_4e_cde_cd2e_HNO__TE_634519444021_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A4B2C3_oP72_56_4e_cde_cd2e v001
EquilibriumCrystalStructure_A4B2C3_tP72_77_8d_ab2c2d_6d_HNO__TE_743337691628_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A4B2C3_tP72_77_8d_ab2c2d_6d v001
EquilibriumCrystalStructure_A4B4C_aP18_2_4i_4i_i_NaOSi__TE_891788416782_001 Equilibrium crystal structure and energy for NaOSi in AFLOW crystal prototype A4B4C_aP18_2_4i_4i_i v001
EquilibriumCrystalStructure_A4B5_oC36_63_acf_c2f_FeO__TE_315981163327_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype A4B5_oC36_63_acf_c2f v002
EquilibriumCrystalStructure_A4B9CD4_mP72_14_4e_9e_e_4e_CHNO__TE_864918904302_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A4B9CD4_mP72_14_4e_9e_e_4e v001
EquilibriumCrystalStructure_A4BC7_mC48_15_2f_e_e3f_AlCaO__TE_544520449033_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A4BC7_mC48_15_2f_e_e3f v001
EquilibriumCrystalStructure_A5B12C2D_oP40_31_3ab_2a5b_2a_a_CHNO__TE_551930342530_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A5B12C2D_oP40_31_3ab_2a5b_2a_a v001
EquilibriumCrystalStructure_A5B12CD12_oC120_41_a2b_6b_a_6b_BHNO__TE_911641730288_001 Equilibrium crystal structure and energy for BHNO in AFLOW crystal prototype A5B12CD12_oC120_41_a2b_6b_a_6b v001
EquilibriumCrystalStructure_A5B14C2D2_mP92_14_5e_14e_2e_2e_CHNO__TE_506166234426_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A5B14C2D2_mP92_14_5e_14e_2e_2e v001
EquilibriumCrystalStructure_A5B2_hR28_161_a3b_ab_OP__TE_050848931486_002 Equilibrium crystal structure and energy for OP in AFLOW crystal prototype A5B2_hR28_161_a3b_ab v002
EquilibriumCrystalStructure_A5B2_mC14_5_a2c_c_OTa__TE_905356916207_002 Equilibrium crystal structure and energy for OTa in AFLOW crystal prototype A5B2_mC14_5_a2c_c v002
EquilibriumCrystalStructure_A5B2_mC28_15_e2f_f_OTa__TE_718780105962_002 Equilibrium crystal structure and energy for OTa in AFLOW crystal prototype A5B2_mC28_15_e2f_f v002
EquilibriumCrystalStructure_A5B2_mC28_15_e2f_f_OV__TE_529468149641_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A5B2_mC28_15_e2f_f v002
EquilibriumCrystalStructure_A5B2_mP14_11_5e_2e_OV__TE_645376950968_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A5B2_mP14_11_5e_2e v002
EquilibriumCrystalStructure_A5B2_oF56_43_a2b_b_OP__TE_171106287839_002 Equilibrium crystal structure and energy for OP in AFLOW crystal prototype A5B2_oF56_43_a2b_b v002
EquilibriumCrystalStructure_A5B2_oP14_31_a2b_b_OV__TE_637436623433_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A5B2_oP14_31_a2b_b v002
EquilibriumCrystalStructure_A5B2_oP14_59_a2e_e_OV__TE_990301432272_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A5B2_oP14_59_a2e_e v002
EquilibriumCrystalStructure_A5B2_oP28_62_3cd_2c_OP__TE_153908313446_002 Equilibrium crystal structure and energy for OP in AFLOW crystal prototype A5B2_oP28_62_3cd_2c v002
EquilibriumCrystalStructure_A5B2_oP28_62_5c_2c_OV__TE_529828250200_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A5B2_oP28_62_5c_2c v002
EquilibriumCrystalStructure_A5B2_oP7_47_afgj_bc_OTa__TE_571973474028_002 Equilibrium crystal structure and energy for OTa in AFLOW crystal prototype A5B2_oP7_47_afgj_bc v002
EquilibriumCrystalStructure_A5B3_aP32_2_10i_6i_OV__TE_298815089072_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A5B3_aP32_2_10i_6i v002
EquilibriumCrystalStructure_A5B3_mC32_12_5i_3i_OTi__TE_619665711722_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A5B3_mC32_12_5i_3i v002
EquilibriumCrystalStructure_A5B3_mC32_15_e2f_cf_OV__TE_444466391626_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A5B3_mC32_15_e2f_cf v002
EquilibriumCrystalStructure_A5B3_mP32_13_ef4g_ab2g_OV__TE_938588196352_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A5B3_mP32_13_ef4g_ab2g v002
EquilibriumCrystalStructure_A5B3_oC32_63_c2f_cf_OTi__TE_807338402857_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A5B3_oC32_63_c2f_cf v002
EquilibriumCrystalStructure_A5B3C3_mP44_14_5e_3e_3e_HNO__TE_905260947825_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A5B3C3_mP44_14_5e_3e_3e v001
EquilibriumCrystalStructure_A5B4_tI18_87_ah_h_OTi__TE_209605172844_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A5B4_tI18_87_ah_h v002
EquilibriumCrystalStructure_A5B8_mC26_12_ahi_2ij_MnO__TE_438832288869_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype A5B8_mC26_12_ahi_2ij v002
EquilibriumCrystalStructure_A5BC2_mP32_14_5e_e_2e_HNO__TE_651103944789_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A5BC2_mP32_14_5e_e_2e v001
EquilibriumCrystalStructure_A5BC8_hP28_186_2bc_a_ab2c_FeHO__TE_031963300073_001 Equilibrium crystal structure and energy for FeHO in AFLOW crystal prototype A5BC8_hP28_186_2bc_a_ab2c v001
EquilibriumCrystalStructure_A6B2C13D3_aP48_2_6i_2i_13i_3i_CaHOSi__TE_807740564377_001 Equilibrium crystal structure and energy for CaHOSi in AFLOW crystal prototype A6B2C13D3_aP48_2_6i_2i_13i_3i v001
EquilibriumCrystalStructure_A6B4C13_cI46_217_d_c_ag_AlCaO__TE_064674868768_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A6B4C13_cI46_217_d_c_ag v001
EquilibriumCrystalStructure_A6B5C14_oC100_36_2a2b_a2b_4a5b_AlCaO__TE_781202697604_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A6B5C14_oC100_36_2a2b_a2b_4a5b v001
EquilibriumCrystalStructure_A6B6C13D2_hP54_143_4d_4d_ab8d_2a2b_CaHOSi__TE_132655582111_001 Equilibrium crystal structure and energy for CaHOSi in AFLOW crystal prototype A6B6C13D2_hP54_143_4d_4d_ab8d_2a2b v001
EquilibriumCrystalStructure_A6B6C_oP52_62_2c2d_2c2d_c_COV__TE_258007275854_001 Equilibrium crystal structure and energy for COV in AFLOW crystal prototype A6B6C_oP52_62_2c2d_2c2d_c v001
EquilibriumCrystalStructure_A6B_hR14_166_2h_c_BO__TE_553161255492_002 Equilibrium crystal structure and energy for BO in AFLOW crystal prototype A6B_hR14_166_2h_c v002
EquilibriumCrystalStructure_A6BC2_oP36_19_6a_a_2a_HOSi__TE_357344322809_001 Equilibrium crystal structure and energy for HOSi in AFLOW crystal prototype A6BC2_oP36_19_6a_a_2a v001
EquilibriumCrystalStructure_A7B12_hR19_148_af_2f_CeO__TE_235546828624_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype A7B12_hR19_148_af_2f v002
EquilibriumCrystalStructure_A7B4_aP110_2_35i_20i_OTi__TE_341249786752_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A7B4_aP110_2_35i_20i v002
EquilibriumCrystalStructure_A7B4_aP22_2_7i_4i_OTi__TE_462252167002_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A7B4_aP22_2_7i_4i v002
EquilibriumCrystalStructure_A7B4_aP22_2_7i_4i_OV__TE_821812644902_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A7B4_aP22_2_7i_4i v002
EquilibriumCrystalStructure_A7B6C16_cI116_220_ac_d_ce_AlCaO__TE_265750543456_001 Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A7B6C16_cI116_220_ac_d_ce v001
EquilibriumCrystalStructure_A7BC6_oP56_19_7a_a_6a_HNO__TE_901381739573_001 Equilibrium crystal structure and energy for HNO in AFLOW crystal prototype A7BC6_oP56_19_7a_a_6a v001
EquilibriumCrystalStructure_A8B21_aP29_2_4i_a10i_CrO__TE_170263306463_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype A8B21_aP29_2_4i_a10i v002
EquilibriumCrystalStructure_A8B2C3_oP52_62_2c3d_d_cd_ClOSi__TE_996120681203_001 Equilibrium crystal structure and energy for ClOSi in AFLOW crystal prototype A8B2C3_oP52_62_2c3d_d_cd v001
EquilibriumCrystalStructure_A8B9CD9_mC216_15_8f_9f_f_9f_CHNO__TE_289332527496_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype A8B9CD9_mC216_15_8f_9f_f_9f v001
EquilibriumCrystalStructure_A9B2_oP88_19_18a_4a_OP__TE_229121551030_002 Equilibrium crystal structure and energy for OP in AFLOW crystal prototype A9B2_oP88_19_18a_4a v002
EquilibriumCrystalStructure_A9B4_mC104_8_8a14b_8a4b_OV__TE_413083736992_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A9B4_mC104_8_8a14b_8a4b v002
EquilibriumCrystalStructure_A9B4_oP52_62_9c_4c_OV__TE_143944513025_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A9B4_oP52_62_9c_4c v002
EquilibriumCrystalStructure_A9B5_aP28_1_18a_10a_OTi__TE_684565527806_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A9B5_aP28_1_18a_10a v002
EquilibriumCrystalStructure_A9B5_aP28_2_9i_ab4i_OTi__TE_868002662031_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype A9B5_aP28_2_9i_ab4i v002
EquilibriumCrystalStructure_A9B5_aP28_2_9i_ac4i_OV__TE_342089939056_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype A9B5_aP28_2_9i_ac4i v002
EquilibriumCrystalStructure_A_hP4_194_f_O__TE_040484397722_002 Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_hP4_194_f v002
EquilibriumCrystalStructure_A_hR2_166_c_O__TE_504776581501_002 Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_hR2_166_c v002
EquilibriumCrystalStructure_A_mC16_12_2ij_O__TE_263342662941_002 Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_mC16_12_2ij v002
EquilibriumCrystalStructure_A_mC4_12_i_O__TE_153017051307_002 Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_mC4_12_i v002
EquilibriumCrystalStructure_A_oC12_63_cg_O__TE_448573160772_002 Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_oC12_63_cg v002
EquilibriumCrystalStructure_A_oP24_61_3c_O__TE_342717226376_002 Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_oP24_61_3c v002
EquilibriumCrystalStructure_AB13C6_oP80_57_c_d6e_2d2e_ClHO__TE_261164767440_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB13C6_oP80_57_c_d6e_2d2e v001
EquilibriumCrystalStructure_AB2_cF12_225_a_c_CeO__TE_483787090719_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype AB2_cF12_225_a_c v002
EquilibriumCrystalStructure_AB2_cF12_225_a_c_CrO__TE_020413869552_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB2_cF12_225_a_c v002
EquilibriumCrystalStructure_AB2_cI24_217_c_abc_OTa__TE_105749480528_002 Equilibrium crystal structure and energy for OTa in AFLOW crystal prototype AB2_cI24_217_c_abc v002
EquilibriumCrystalStructure_AB2_cI36_199_b_c_NO__TE_582393734369_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB2_cI36_199_b_c v002
EquilibriumCrystalStructure_AB2_cI36_204_d_g_NO__TE_022819163240_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB2_cI36_204_d_g v002
EquilibriumCrystalStructure_AB2_cI36_204_e_g_NO__TE_520864286895_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB2_cI36_204_e_g v002
EquilibriumCrystalStructure_AB2_cP12_205_a_c_CO__TE_849632978017_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_cP12_205_a_c v002
EquilibriumCrystalStructure_AB2_cP12_205_a_c_CrO__TE_930635946043_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB2_cP12_205_a_c v002
EquilibriumCrystalStructure_AB2_cP12_205_a_c_MgO__TE_662296765642_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB2_cP12_205_a_c v002
EquilibriumCrystalStructure_AB2_cP12_205_a_c_NaO__TE_240150574920_001 Equilibrium crystal structure and energy for NaO in AFLOW crystal prototype AB2_cP12_205_a_c v001
EquilibriumCrystalStructure_AB2_hP3_164_a_d_OTi__TE_408228908028_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype AB2_hP3_164_a_d v002
EquilibriumCrystalStructure_AB2_hP6_164_d_abd_CeO__TE_585262459502_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype AB2_hP6_164_d_abd v002
EquilibriumCrystalStructure_AB2_hR24_167_be_cf_CO__TE_637907094510_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_hR24_167_be_cf v002
EquilibriumCrystalStructure_AB2_hR3_166_a_c_NiO__TE_211935769495_002 Equilibrium crystal structure and energy for NiO in AFLOW crystal prototype AB2_hR3_166_a_c v002
EquilibriumCrystalStructure_AB2_mC18_12_ai_3i_MnO__TE_787016999889_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB2_mC18_12_ai_3i v002
EquilibriumCrystalStructure_AB2_mC6_12_a_i_NiO__TE_666196481948_002 Equilibrium crystal structure and energy for NiO in AFLOW crystal prototype AB2_mC6_12_a_i v002
EquilibriumCrystalStructure_AB2_mP12_11_2e_2ef_NO__TE_220836853719_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB2_mP12_11_2e_2ef v002
EquilibriumCrystalStructure_AB2_mP12_14_e_2e_NO__TE_255393400057_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB2_mP12_14_e_2e v002
EquilibriumCrystalStructure_AB2_oC12_64_a_f_CO__TE_384079398278_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_oC12_64_a_f v002
EquilibriumCrystalStructure_AB2_oP12_59_e_2e_MnO__TE_187198003110_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB2_oP12_59_e_2e v002
EquilibriumCrystalStructure_AB2_oP12_60_c_d_CO__TE_659663944469_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_oP12_60_c_d v002
EquilibriumCrystalStructure_AB2_oP12_60_c_d_CrO__TE_372108221476_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB2_oP12_60_c_d v002
EquilibriumCrystalStructure_AB2_oP12_62_c_2c_MnO__TE_343901562954_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB2_oP12_62_c_2c v002
EquilibriumCrystalStructure_AB2_oP24_19_2a_4a_CO__TE_438712944122_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_oP24_19_2a_4a v002
EquilibriumCrystalStructure_AB2_oP24_61_c_2c_ClO__TE_267709046155_001 Equilibrium crystal structure and energy for ClO in AFLOW crystal prototype AB2_oP24_61_c_2c v001
EquilibriumCrystalStructure_AB2_oP6_58_a_g_CO__TE_705411030699_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_oP6_58_a_g v002
EquilibriumCrystalStructure_AB2_oP6_58_a_g_CrO__TE_615596264074_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB2_oP6_58_a_g v002
EquilibriumCrystalStructure_AB2_oP6_58_a_g_NaO__TE_524963117649_001 Equilibrium crystal structure and energy for NaO in AFLOW crystal prototype AB2_oP6_58_a_g v001
EquilibriumCrystalStructure_AB2_tI12_122_a_d_CO__TE_578967523937_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_tI12_122_a_d v002
EquilibriumCrystalStructure_AB2_tI24_87_h_2h_MnO__TE_934868602251_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB2_tI24_87_h_2h v002
EquilibriumCrystalStructure_AB2_tI6_139_a_e_CaO__TE_792442842657_002 Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB2_tI6_139_a_e v002
EquilibriumCrystalStructure_AB2_tP12_92_a_b_CO__TE_702678946429_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_tP12_92_a_b v002
EquilibriumCrystalStructure_AB2_tP6_136_a_f_CeO__TE_027363324551_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype AB2_tP6_136_a_f v002
EquilibriumCrystalStructure_AB2_tP6_136_a_f_CO__TE_757141808122_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB2_tP6_136_a_f v002
EquilibriumCrystalStructure_AB2_tP6_136_a_f_CrO__TE_749254084552_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB2_tP6_136_a_f v002
EquilibriumCrystalStructure_AB2_tP6_136_a_f_MnO__TE_138901891009_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB2_tP6_136_a_f v002
EquilibriumCrystalStructure_AB2C2_hP5_164_a_d_d_CaHO__TE_608425428744_001 Equilibrium crystal structure and energy for CaHO in AFLOW crystal prototype AB2C2_hP5_164_a_d_d v001
EquilibriumCrystalStructure_AB2C2_oP20_33_a_2a_2a_CHO__TE_371626440832_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB2C2_oP20_33_a_2a_2a v001
EquilibriumCrystalStructure_AB2C2D2_oP56_19_2a_4a_4a_4a_CHNO__TE_338276194972_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB2C2D2_oP56_19_2a_4a_4a_4a v001
EquilibriumCrystalStructure_AB2C_hR24_161_b_2b_b_CHO__TE_881757295807_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB2C_hR24_161_b_2b_b v001
EquilibriumCrystalStructure_AB2C_oP80_60_c2d_5d_c2d_CHO__TE_779437097902_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB2C_oP80_60_c2d_5d_c2d v001
EquilibriumCrystalStructure_AB2CD5_mC72_15_f_2f_ae_5f_ClHNaO__TE_634972925551_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB2CD5_mC72_15_f_2f_ae_5f v001
EquilibriumCrystalStructure_AB3_hP16_163_ac_i_OTi__TE_537862239976_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype AB3_hP16_163_ac_i v002
EquilibriumCrystalStructure_AB3_hP24_149_acgi_3l_OTi__TE_494458347872_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype AB3_hP24_149_acgi_3l v002
EquilibriumCrystalStructure_AB3_hP8_193_b_g_OTi__TE_879954350865_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype AB3_hP8_193_b_g v002
EquilibriumCrystalStructure_AB3_mC32_9_2a_6a_ClO__TE_649715372498_001 Equilibrium crystal structure and energy for ClO in AFLOW crystal prototype AB3_mC32_9_2a_6a v001
EquilibriumCrystalStructure_AB3_oC32_40_c_3c_CrO__TE_304097830251_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB3_oC32_40_c_3c v002
EquilibriumCrystalStructure_AB3_oI8_44_a_ac_NaO__TE_060324794149_001 Equilibrium crystal structure and energy for NaO in AFLOW crystal prototype AB3_oI8_44_a_ac v001
EquilibriumCrystalStructure_AB3C14D7_aP50_2_i_3i_14i_7i_CeClHO__TE_756475321899_001 Equilibrium crystal structure and energy for CeClHO in AFLOW crystal prototype AB3C14D7_aP50_2_i_3i_14i_7i v001
EquilibriumCrystalStructure_AB3C3_aP28_2_2i_6i_6i_BHO__TE_938329390621_001 Equilibrium crystal structure and energy for BHO in AFLOW crystal prototype AB3C3_aP28_2_2i_6i_6i v001
EquilibriumCrystalStructure_AB3C3_hP42_145_2a_6a_6a_BHO__TE_023293611926_001 Equilibrium crystal structure and energy for BHO in AFLOW crystal prototype AB3C3_hP42_145_2a_6a_6a v001
EquilibriumCrystalStructure_AB3C3_mP28_14_e_3e_3e_CHO__TE_821199289770_001 Equilibrium crystal structure and energy for CHO in AFLOW crystal prototype AB3C3_mP28_14_e_3e_3e v001
EquilibriumCrystalStructure_AB3C5_mP36_14_e_3e_5e_ClHO__TE_826322730524_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB3C5_mP36_14_e_3e_5e v001
EquilibriumCrystalStructure_AB3C5_oP36_62_c_cd_3cd_ClHO__TE_049191346743_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB3C5_oP36_62_c_cd_3cd v001
EquilibriumCrystalStructure_AB3C5D4_oP52_19_a_3a_5a_4a_CHNO__TE_352466489099_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB3C5D4_oP52_19_a_3a_5a_4a v001
EquilibriumCrystalStructure_AB3C_aP30_2_3i_9i_3i_CaOSi__TE_985935358778_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_aP30_2_3i_9i_3i v001
EquilibriumCrystalStructure_AB3C_cI40_204_ab_g_c_CaOSi__TE_079790177442_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_cI40_204_ab_g_c v001
EquilibriumCrystalStructure_AB3C_cP5_221_a_c_b_CaOSi__TE_421518218665_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_cP5_221_a_c_b v001
EquilibriumCrystalStructure_AB3C_cP5_221_a_c_b_ClNaO__TE_748162408694_001 Equilibrium crystal structure and energy for ClNaO in AFLOW crystal prototype AB3C_cP5_221_a_c_b v001
EquilibriumCrystalStructure_AB3C_hR10_161_a_b_a_AgOTa__TE_276761375880_001 Equilibrium crystal structure and energy for AgOTa in AFLOW crystal prototype AB3C_hR10_161_a_b_a v001
EquilibriumCrystalStructure_AB3C_hR10_167_a_e_b_AgOTa__TE_648757691734_001 Equilibrium crystal structure and energy for AgOTa in AFLOW crystal prototype AB3C_hR10_167_a_e_b v001
EquilibriumCrystalStructure_AB3C_mC120_15_c3ef_9f_3f_CaOSi__TE_779454297147_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_mC120_15_c3ef_9f_3f v001
EquilibriumCrystalStructure_AB3C_mC60_15_cf_e4f_ef_CaOSi__TE_405678794609_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_mC60_15_cf_e4f_ef v001
EquilibriumCrystalStructure_AB3C_oI20_74_e_eg_a_CaOSi__TE_302219874836_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_oI20_74_e_eg_a v001
EquilibriumCrystalStructure_AB3C_oP20_62_c_cd_a_CaOSi__TE_117272785147_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_oP20_62_c_cd_a v001
EquilibriumCrystalStructure_AB3C_tI20_140_b_ah_c_CaOSi__TE_409443198579_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_tI20_140_b_ah_c v001
EquilibriumCrystalStructure_AB3C_tI40_139_abc_hn_f_CaOSi__TE_259437074252_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_tI40_139_abc_hn_f v001
EquilibriumCrystalStructure_AB3C_tP10_127_c_bg_a_CaOSi__TE_402683241704_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_tP10_127_c_bg_a v001
EquilibriumCrystalStructure_AB4_tP5_123_c_abh_OTa__TE_877485418186_002 Equilibrium crystal structure and energy for OTa in AFLOW crystal prototype AB4_tP5_123_c_abh v002
EquilibriumCrystalStructure_AB4C2D_oC192_20_ab2c_12c_6c_ab2c_CHNO__TE_968090106964_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_oC192_20_ab2c_12c_6c_ab2c v001
EquilibriumCrystalStructure_AB4C2D_tP16_113_c_2e_e_c_CHNO__TE_344852579451_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_tP16_113_c_2e_e_c v001
EquilibriumCrystalStructure_AB4C2D_tP16_129_c_i_ac_c_CHNO__TE_083725332170_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C2D_tP16_129_c_i_ac_c v001
EquilibriumCrystalStructure_AB4C4D2_aP44_2_2i_8i_8i_4i_CHNO__TE_869588863154_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C4D2_aP44_2_2i_8i_8i_4i v001
EquilibriumCrystalStructure_AB4C4D2_oF176_43_b_4b_4b_2b_CHNO__TE_181110374300_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB4C4D2_oF176_43_b_4b_4b_2b v001
EquilibriumCrystalStructure_AB4C_tI24_141_a_h_b_CeOSi__TE_749269600287_001 Equilibrium crystal structure and energy for CeOSi in AFLOW crystal prototype AB4C_tI24_141_a_h_b v001
EquilibriumCrystalStructure_AB4CD2_mP32_14_e_4e_e_2e_ClHNaO__TE_122196567708_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB4CD2_mP32_14_e_4e_e_2e v001
EquilibriumCrystalStructure_AB4CD6_aP24_2_i_4i_i_6i_ClHNaO__TE_599690820260_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB4CD6_aP24_2_i_4i_i_6i v001
EquilibriumCrystalStructure_AB5C2_aP32_2_2i_10i_be3i_CaOSi__TE_949037197041_001 Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB5C2_aP32_2_2i_10i_be3i v001
EquilibriumCrystalStructure_AB5C2_mP32_14_e_5e_2e_ClHO__TE_921532558036_001 Equilibrium crystal structure and energy for ClHO in AFLOW crystal prototype AB5C2_mP32_14_e_5e_2e v001
EquilibriumCrystalStructure_AB5C3D4_mP52_14_e_5e_3e_4e_CHNO__TE_294401506423_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5C3D4_mP52_14_e_5e_3e_4e v001
EquilibriumCrystalStructure_AB5CD2_aP18_1_2a_10a_2a_4a_CHNO__TE_363379580538_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD2_aP18_1_2a_10a_2a_4a v001
EquilibriumCrystalStructure_AB5CD2_mP18_7_a_5a_a_2a_CHNO__TE_307285905143_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD2_mP18_7_a_5a_a_2a v001
EquilibriumCrystalStructure_AB5CD3_oP80_56_e_5e_e_3e_CHNO__TE_197216100796_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB5CD3_oP80_56_e_5e_e_3e v001
EquilibriumCrystalStructure_AB6_hP14_163_c_i_OTi__TE_766472130989_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype AB6_hP14_163_c_i v002
EquilibriumCrystalStructure_AB6_hP7_162_a_k_OTi__TE_657059778117_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype AB6_hP7_162_a_k v002
EquilibriumCrystalStructure_AB6C2D2_oI88_72_j_2j2k_fj_2j_CHNO__TE_752390158425_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C2D2_oI88_72_j_2j2k_fj_2j v001
EquilibriumCrystalStructure_AB6C4D_mP48_14_e_6e_4e_e_CHNO__TE_499799561878_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C4D_mP48_14_e_6e_4e_e v001
EquilibriumCrystalStructure_AB6C6D4_aP68_2_2i_12i_12i_8i_CHNO__TE_669087067518_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB6C6D4_aP68_2_2i_12i_12i_8i v001
EquilibriumCrystalStructure_AB6C_oP32_62_c_6c_c_CNO__TE_159914758378_001 Equilibrium crystal structure and energy for CNO in AFLOW crystal prototype AB6C_oP32_62_c_6c_c v001
EquilibriumCrystalStructure_AB6CD5_aP26_2_i_6i_i_5i_ClHNaO__TE_568757875966_001 Equilibrium crystal structure and energy for ClHNaO in AFLOW crystal prototype AB6CD5_aP26_2_i_6i_i_5i v001
EquilibriumCrystalStructure_AB7C3D3_mP56_14_e_7e_3e_3e_CHNO__TE_256450103888_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB7C3D3_mP56_14_e_7e_3e_3e v001
EquilibriumCrystalStructure_AB8_tP18_136_a_2fi_OV__TE_725200601781_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype AB8_tP18_136_a_2fi v002
EquilibriumCrystalStructure_AB8C18D6_hR33_166_a_cde_g2h_h_CeNaOSi__TE_885064614996_001 Equilibrium crystal structure and energy for CeNaOSi in AFLOW crystal prototype AB8C18D6_hR33_166_a_cde_g2h_h v001
EquilibriumCrystalStructure_AB9C7D3_oP80_57_d_3d3e_7d_de_CHNO__TE_995218505073_001 Equilibrium crystal structure and energy for CHNO in AFLOW crystal prototype AB9C7D3_oP80_57_d_3d3e_7d_de v001
EquilibriumCrystalStructure_AB_cF8_216_a_c_AgO__TE_658026597165_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_BeO__TE_488949394815_002 Equilibrium crystal structure and energy for BeO in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_216_a_c_OZn__TE_010962680448_002 Equilibrium crystal structure and energy for OZn in AFLOW crystal prototype AB_cF8_216_a_c v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_AlO__TE_806143838296_002 Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_BeO__TE_624556159329_002 Equilibrium crystal structure and energy for BeO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CaO__TE_932922467790_002 Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CeO__TE_142604118591_002 Equilibrium crystal structure and energy for CeO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_CrO__TE_741063544258_002 Equilibrium crystal structure and energy for CrO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_FeO__TE_022630335531_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_MgO__TE_353772948771_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_MnO__TE_170109399829_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_NiO__TE_850736496018_002 Equilibrium crystal structure and energy for NiO in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_OTa__TE_695731573241_002 Equilibrium crystal structure and energy for OTa in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_OTi__TE_138018089810_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_OV__TE_253662544246_002 Equilibrium crystal structure and energy for OV in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cF8_225_a_b_OZn__TE_088757749399_002 Equilibrium crystal structure and energy for OZn in AFLOW crystal prototype AB_cF8_225_a_b v002
EquilibriumCrystalStructure_AB_cP12_223_c_d_MgO__TE_134550280608_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_cP12_223_c_d v002
EquilibriumCrystalStructure_AB_cP2_221_a_b_OZn__TE_039515375879_002 Equilibrium crystal structure and energy for OZn in AFLOW crystal prototype AB_cP2_221_a_b v002
EquilibriumCrystalStructure_AB_cP8_198_a_a_CO__TE_963866639419_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB_cP8_198_a_a v002
EquilibriumCrystalStructure_AB_hP12_189_fg_eh_NaO__TE_105971730003_001 Equilibrium crystal structure and energy for NaO in AFLOW crystal prototype AB_hP12_189_fg_eh v001
EquilibriumCrystalStructure_AB_hP24_192_l_l_MgO__TE_021346012028_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hP24_192_l_l v002
EquilibriumCrystalStructure_AB_hP24_194_ab2f_e2f_MgO__TE_903676808720_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hP24_194_ab2f_e2f v002
EquilibriumCrystalStructure_AB_hP2_187_a_d_MgO__TE_877172999213_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hP2_187_a_d v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_BeO__TE_316612977232_002 Equilibrium crystal structure and energy for BeO in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_MgO__TE_936470819826_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_MnO__TE_530460324804_002 Equilibrium crystal structure and energy for MnO in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_186_b_b_OZn__TE_241541252216_002 Equilibrium crystal structure and energy for OZn in AFLOW crystal prototype AB_hP4_186_b_b v002
EquilibriumCrystalStructure_AB_hP4_194_c_a_OZn__TE_730511497400_002 Equilibrium crystal structure and energy for OZn in AFLOW crystal prototype AB_hP4_194_c_a v002
EquilibriumCrystalStructure_AB_hP4_194_c_d_CaO__TE_229658268378_002 Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB_hP4_194_c_d v002
EquilibriumCrystalStructure_AB_hP4_194_c_d_MgO__TE_578443569646_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hP4_194_c_d v002
EquilibriumCrystalStructure_AB_hR16_161_ab_ab_CO__TE_667722291180_002 Equilibrium crystal structure and energy for CO in AFLOW crystal prototype AB_hR16_161_ab_ab v002
EquilibriumCrystalStructure_AB_hR16_166_ab3c_4c_MgO__TE_482144107767_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_hR16_166_ab3c_4c v002
EquilibriumCrystalStructure_AB_hR2_166_a_b_FeO__TE_077620417128_002 Equilibrium crystal structure and energy for FeO in AFLOW crystal prototype AB_hR2_166_a_b v002
EquilibriumCrystalStructure_AB_mC20_12_a2i_d2i_OTi__TE_390140923301_002 Equilibrium crystal structure and energy for OTi in AFLOW crystal prototype AB_mC20_12_a2i_d2i v002
EquilibriumCrystalStructure_AB_mC48_15_3f_3f_MgO__TE_134752378381_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_mC48_15_3f_3f v002
EquilibriumCrystalStructure_AB_mC48_8_12a_12a_MgO__TE_198108072200_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_mC48_8_12a_12a v002
EquilibriumCrystalStructure_AB_mC8_15_a_e_AgO__TE_855356759796_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype AB_mC8_15_a_e v002
EquilibriumCrystalStructure_AB_mP8_14_ad_e_AgO__TE_302882425273_002 Equilibrium crystal structure and energy for AgO in AFLOW crystal prototype AB_mP8_14_ad_e v002
EquilibriumCrystalStructure_AB_mP8_14_e_e_NO__TE_971158509841_002 Equilibrium crystal structure and energy for NO in AFLOW crystal prototype AB_mP8_14_e_e v002
EquilibriumCrystalStructure_AB_oI32_72_2j_2j_MgO__TE_046630733663_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_oI32_72_2j_2j v002
EquilibriumCrystalStructure_AB_oI48_72_3j_3j_MgO__TE_944208837287_002 Equilibrium crystal structure and energy for MgO in AFLOW crystal prototype AB_oI48_72_3j_