An item of "reference data" is an experimental result or a high-accuracy computation (such as using density functional theory (DFT)) for a material property defined in OpenKIM for a particular system (e.g. the {111} surface energy of fcc Cu). Click for more information.
Choose from the tab above to sort the models in different ways.
| Reference Data | Data Method | Description |
|---|---|---|
| RD_018325617854_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_018427615626_000 | computation | Reference Data From Materials Project: {formula:BaBe2Te,spaceGroup:Fm-3m,id:mp-631532} |
| RD_020496280340_000 | computation | Reference Data From Materials Project: {formula:EuSm2BeO5,spaceGroup:P2_1/c,id:mp-560512} |
| RD_020792363416_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_021361365962_000 | computation | Reference Data From Materials Project: {formula:LiBePd2,spaceGroup:Fm-3m,id:mp-862312} |
| RD_023535399008_000 | computation | Reference Data From Materials Project: {formula:BeBr2,spaceGroup:Imcb,id:mp-30139} |
| RD_024717213100_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_024952407103_000 | computation | Reference Data From Materials Project: {formula:Be12Cr,spaceGroup:I4/mmm,id:mp-1590} |
| RD_025579411356_000 | computation | Reference Data From Materials Project: {formula:ZrBeSi,spaceGroup:P6_3/mmc,id:mp-10200} |
| RD_025585444743_000 | computation | Reference Data From Materials Project: {formula:K2Be3Zn2F12,spaceGroup:P2_13,id:mp-6372} |
| RD_026095633669_000 | computation | Reference Data From Materials Project: {formula:Mn4Be3Si3SO12,spaceGroup:P-43n,id:mp-19314} |
| RD_026943159690_000 | computation | Reference Data From Materials Project: {formula:Be2W,spaceGroup:P6_3/mmc,id:mp-11282} |
| RD_028168026561_000 | computation | Reference Data From Materials Project: {formula:Gd2Be2GeO7,spaceGroup:P-42_1m,id:mp-650715} |
| RD_028248890039_000 | computation | Reference Data From Materials Project: {formula:BeI2,spaceGroup:I4_1/acd,id:mp-30140} |
| RD_029196710278_000 | computation | Reference Data From Materials Project: {formula:Be(B3H8)2,spaceGroup:P2_1/c,id:mp-722237} |
| RD_029268954986_000 | computation | Reference Data From Materials Project: {formula:BeSiRu2,spaceGroup:Fm-3m,id:mp-867835} |
| RD_029847273973_000 | computation | Reference Data From Materials Project: {formula:HfBeRh2,spaceGroup:Fm-3m,id:mp-865163} |
| RD_032295779530_000 | computation | Reference Data From Materials Project: {formula:BeVCo2,spaceGroup:Fm-3m,id:mp-866288} |
| RD_033388306747_000 | computation | Reference Data From Materials Project: {formula:Na10Be4Si4O17,spaceGroup:P-43m,id:mp-555606} |
| RD_034815290290_000 | computation | Reference Data From Materials Project: {formula:LiBeH3,spaceGroup:P2_1/c,id:mp-570218} |
| RD_034984095239_000 | computation | Reference Data From Materials Project: {formula:BeSiN2,spaceGroup:I-42d,id:mp-15704} |
| RD_037030208160_000 | computation | Reference Data From Materials Project: {formula:Be3Fe4Si3SO12,spaceGroup:P-43n,id:mp-19309} |
| RD_037695036727_000 | computation | Reference Data From Materials Project: {formula:Be2PdRh,spaceGroup:Fm-3m,id:mp-866115} |
| RD_037955430912_000 | computation | Reference Data From Materials Project: {formula:Na2Be2O3,spaceGroup:P2_1/c,id:mp-754663} |
| RD_038606435393_000 | computation | Reference Data From Materials Project: {formula:Cs2BeO2,spaceGroup:P2_1/c,id:mp-755292} |
| RD_039412640345_000 | computation | Reference Data From Materials Project: {formula:Y2Be2Fe(SiO5)2,spaceGroup:P2_1/c,id:mp-18959} |
| RD_045041795016_000 | computation | Reference Data From Materials Project: {formula:K2BeH4(SO5)2,spaceGroup:P2_1/c,id:mp-510545} |
| RD_045608822067_000 | computation | Reference Data From Materials Project: {formula:SrScBe,spaceGroup:F-43m,id:mp-631468} |
| RD_048235797432_000 | computation | Reference Data From Materials Project: {formula:Be2RhAu,spaceGroup:Fm-3m,id:mp-866024} |
| RD_049521822073_000 | computation | BeO in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_051092100591_000 | computation | Reference Data From Materials Project: {formula:BeNi,spaceGroup:Pm-3m,id:mp-1033} |
| RD_052341103653_000 | computation | Reference Data From Materials Project: {formula:TiBe12,spaceGroup:P6/mmm,id:mp-11280} |
| RD_053002116405_000 | computation | Reference Data From Materials Project: {formula:Be2W,spaceGroup:P6_3/mmc,id:mp-11282} |
| RD_055193819359_000 | computation | BeO in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_057737916195_000 | computation | Reference Data From Materials Project: {formula:Be13Sb,spaceGroup:Fm-3c,id:mp-13608} |
| RD_058223434476_000 | computation | Reference Data From Materials Project: {formula:TiBeIr2,spaceGroup:Fm-3m,id:mp-866154} |
| RD_059003306679_000 | computation | Reference Data From Materials Project: {formula:K2Be2(Si2O5)3,spaceGroup:Cmc2_1,id:mp-561549} |
| RD_061012852317_000 | computation | Reference Data From Materials Project: {formula:KBe3ZnF9,spaceGroup:P-6c2,id:mp-18509} |
| RD_064273295323_000 | computation | Reference Data From Materials Project: {formula:Be2Mo,spaceGroup:P6_3/mmc,id:mp-1677} |
| RD_065188544077_000 | computation | Reference Data From Materials Project: {formula:Na6BeO4,spaceGroup:P6_3mc,id:mp-755546} |
| RD_065206634380_000 | computation | Reference Data From Materials Project: {formula:BeS,spaceGroup:F-43m,id:mp-422} |
| RD_067125193399_000 | computation | Reference Data From Materials Project: {formula:Mg(BeAs)2,spaceGroup:P-3m1,id:mp-865185} |
| RD_067320460113_000 | computation | Reference Data From Materials Project: {formula:BePd,spaceGroup:Pm-3m,id:mp-11274} |
| RD_069640027480_000 | computation | Reference Data From Materials Project: {formula:BaBeF4,spaceGroup:Pmcn,id:mp-12431} |
| RD_071256134610_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_072344436620_000 | computation | Reference Data From Materials Project: {formula:Be2CuRu,spaceGroup:Fm-3m,id:mp-865147} |
| RD_073682358244_000 | computation | Reference Data From Materials Project: {formula:Nd2Be2SiO7,spaceGroup:P-42_1m,id:mp-9077} |
| RD_074378057152_000 | computation | Reference Data From Materials Project: {formula:Li4Be3As3ClO12,spaceGroup:P-43n,id:mp-560072} |
| RD_076279093965_000 | computation | Reference Data From Materials Project: {formula:Na2BeF4,spaceGroup:Pcmn,id:mp-3318} |
| RD_078018968210_000 | computation | Reference Data From Materials Project: {formula:ZrBe5,spaceGroup:P6/mmm,id:mp-11283} |
| RD_079081234904_000 | computation | Reference Data From Materials Project: {formula:Be5Au,spaceGroup:F-43m,id:mp-1220} |
| RD_081610490767_000 | computation | Reference Data From Materials Project: {formula:TiBeIr2,spaceGroup:Fm-3m,id:mp-866154} |
| RD_081947427613_000 | computation | Reference Data From Materials Project: {formula:Rb2Be3Cd2F12,spaceGroup:P2_13,id:mp-13614} |
| RD_082167999352_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_083098176724_000 | computation | BeO in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_088970392632_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3TeO12,spaceGroup:P-43n,id:mp-17167} |
| RD_093351267893_000 | computation | Reference Data From Materials Project: {formula:Cs2BeO2,spaceGroup:I4/mmm,id:mp-754976} |
| RD_093551528256_000 | computation | Reference Data From Materials Project: {formula:Na4Be2Si6Sn(HO5)4,spaceGroup:C2/c,id:mp-706336} |
| RD_093934637601_000 | computation | Reference Data From Materials Project: {formula:ZrBe13,spaceGroup:Fm-3c,id:mp-30445} |
| RD_095368694404_000 | computation | Reference Data From Materials Project: {formula:BeAu,spaceGroup:P2_13,id:mp-30365} |
| RD_099472787187_000 | computation | Reference Data From Materials Project: {formula:Be2NiIr,spaceGroup:Fm-3m,id:mp-865229} |
| RD_100350645136_000 | computation | Reference Data From Materials Project: {formula:MnBe2,spaceGroup:P6_3/mmc,id:mp-11270} |
| RD_100474679140_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_100737851691_000 | computation | Reference Data From Materials Project: {formula:CaBe2(PO4)2,spaceGroup:P2_1/c,id:mp-6772} |
| RD_103230360229_000 | computation | Reference Data From Materials Project: {formula:CaBe13,spaceGroup:Fm-3c,id:mp-1845} |
| RD_103778063698_000 | computation | Reference Data From Materials Project: {formula:NpBe13,spaceGroup:Fm-3c,id:mp-30442} |
| RD_104827967012_000 | computation | Reference Data From Materials Project: {formula:BeH2,spaceGroup:Ibam,id:mp-768203} |
| RD_105867055887_000 | computation | Reference Data From Materials Project: {formula:Li4Be3As3ClO12,spaceGroup:P-43n,id:mp-560072} |
| RD_106669758378_000 | computation | Reference Data From Materials Project: {formula:Be(Bi3O5)4,spaceGroup:I23,id:mp-772198} |
| RD_108193231883_000 | computation | Reference Data From Materials Project: {formula:Be2RhPt,spaceGroup:Fm-3m,id:mp-862600} |
| RD_108846130814_000 | computation | Reference Data From Materials Project: {formula:Be17Nb2,spaceGroup:R-3m,id:mp-30441} |
| RD_109012548993_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_110802210919_000 | computation | Reference Data From Materials Project: {formula:BeGaIr2,spaceGroup:Fm-3m,id:mp-867116} |
| RD_110996433721_000 | computation | Reference Data From Materials Project: {formula:Be2Re,spaceGroup:P6_3/mmc,id:mp-11275} |
| RD_116685824029_000 | computation | Reference Data From Materials Project: {formula:Be12Nb,spaceGroup:I4/mmm,id:mp-568912} |
| RD_117811767302_000 | computation | Reference Data From Materials Project: {formula:MgBe2B,spaceGroup:F-43m,id:mp-631564} |
| RD_117990207454_000 | computation | Reference Data From Materials Project: {formula:ThBe13,spaceGroup:Fm-3c,id:mp-1562} |
| RD_117994129759_000 | computation | Reference Data From Materials Project: {formula:TiBe2,spaceGroup:Fd-3m,id:mp-2749} |
| RD_119493377463_000 | computation | Reference Data From Materials Project: {formula:Sm2Be2GeO7,spaceGroup:P-42_1m,id:mp-14416} |
| RD_122239663945_000 | computation | Reference Data From Materials Project: {formula:Be12W,spaceGroup:I4/mmm,id:mp-568827} |
| RD_122342837520_000 | computation | Reference Data From Materials Project: {formula:Be2P2O7,spaceGroup:C2/c,id:mp-752393} |
| RD_122458737837_000 | computation | Reference Data From Materials Project: {formula:BaBe2Si2O7,spaceGroup:Pbnm,id:mp-6383} |
| RD_122515061230_000 | computation | Reference Data From Materials Project: {formula:Na2Be2(SiO3)3,spaceGroup:Pcmn,id:mp-555182} |
| RD_123320032714_000 | computation | Reference Data From Materials Project: {formula:HfBe2,spaceGroup:P6/mmm,id:mp-2553} |
| RD_124586154273_000 | computation | Reference Data From Materials Project: {formula:BeCu,spaceGroup:Pm-3m,id:mp-2323} |
| RD_124836165056_000 | computation | Reference Data From Materials Project: {formula:Be5Au,spaceGroup:F-43m,id:mp-1220} |
| RD_124913321737_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_124967432480_000 | computation | Reference Data From Materials Project: {formula:BeAlH5,spaceGroup:C2/c,id:mp-23720} |
| RD_125916788254_000 | computation | Reference Data From Materials Project: {formula:Be2CdP,spaceGroup:Fm-3m,id:mp-631489} |
| RD_127444169993_000 | computation | Reference Data From Materials Project: {formula:Be2CuRu,spaceGroup:Fm-3m,id:mp-865147} |
| RD_127644828251_000 | computation | Reference Data From Materials Project: {formula:BeCuBr,spaceGroup:F-43m,id:mp-631505} |
| RD_130655069895_000 | computation | Reference Data From Materials Project: {formula:BaBe13,spaceGroup:Fm-3c,id:mp-30425} |
| RD_131704173829_000 | computation | Reference Data From Materials Project: {formula:ScBe5,spaceGroup:P6/mmm,id:mp-11277} |
| RD_132006860291_000 | computation | Reference Data From Materials Project: {formula:BeCuBr,spaceGroup:F-43m,id:mp-631505} |
| RD_132556423884_000 | computation | Reference Data From Materials Project: {formula:BePO4,spaceGroup:I-4,id:mp-760410} |
| RD_132580134659_000 | computation | Reference Data From Materials Project: {formula:BeGe2Te,spaceGroup:F-43m,id:mp-631450} |
| RD_132785693787_000 | computation | Reference Data From Materials Project: {formula:K2Be2(SiO3)3,spaceGroup:P2_1/c,id:mp-557472} |
| RD_134300190893_000 | computation | Reference Data From Materials Project: {formula:HfBe5,spaceGroup:P6/mmm,id:mp-2025} |
| RD_134539942632_000 | computation | Reference Data From Materials Project: {formula:BeZnO2,spaceGroup:I-42d,id:mp-550433} |
| RD_134799444357_000 | computation | Reference Data From Materials Project: {formula:CsNa2Be6(BO3)5,spaceGroup:C2,id:mp-866613} |
| RD_138774633468_000 | computation | Reference Data From Materials Project: {formula:KBePt,spaceGroup:F-43m,id:mp-631464} |
| RD_139976344382_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_142581285423_000 | computation | Reference Data From Materials Project: {formula:Be3Al2(SiO3)6,spaceGroup:P6/mcc,id:mp-6030} |
| RD_145078149960_000 | computation | Reference Data From Materials Project: {formula:Yb2Be2Si2NiO10,spaceGroup:P2_1/c,id:mp-19700} |
| RD_145336134701_000 | computation | Reference Data From Materials Project: {formula:Ca3Be2P4(HO2)10,spaceGroup:P-1,id:mp-707838} |
| RD_147127227597_000 | computation | Reference Data From Materials Project: {formula:BeCu,spaceGroup:Pm-3m,id:mp-2323} |
| RD_147380951602_000 | computation | Reference Data From Materials Project: {formula:BeTcSe,spaceGroup:F-43m,id:mp-631462} |
| RD_147672170833_000 | computation | Reference Data From Materials Project: {formula:Be2RuAu,spaceGroup:Fm-3m,id:mp-867307} |
| RD_149568632789_000 | computation | Reference Data From Materials Project: {formula:SrBe13,spaceGroup:Fm-3c,id:mp-2080} |
| RD_151432555196_000 | computation | Reference Data From Materials Project: {formula:BeAlB,spaceGroup:F-43m,id:mp-4262} |
| RD_151543744035_000 | computation | BeO in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_152983291951_000 | computation | Reference Data From Materials Project: {formula:Be2Nb,spaceGroup:Fd-3m,id:mp-2028} |
| RD_153209798782_000 | computation | Reference Data From Materials Project: {formula:Be22Re,spaceGroup:Fd-3m,id:mp-569364} |
| RD_153436895283_000 | computation | Reference Data From Materials Project: {formula:MnBe2Pt,spaceGroup:Fm-3m,id:mp-864944} |
| RD_154665579997_000 | computation | Reference Data From Materials Project: {formula:Mg(BeN)2,spaceGroup:P-3m1,id:mp-11917} |
| RD_154755140592_000 | computation | Reference Data From Materials Project: {formula:BeCrO4,spaceGroup:C2/m,id:mp-776836} |
| RD_156106856764_000 | computation | Reference Data From Materials Project: {formula:K2Mg2Be3F12,spaceGroup:P2_13,id:mp-13613} |
| RD_156318878931_000 | computation | Reference Data From Materials Project: {formula:Ca12Be17O29,spaceGroup:F-43m,id:mp-27407} |
| RD_156625695056_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Be, hcp Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-87) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_156817094410_000 | computation | Reference Data From Materials Project: {formula:TiBe2,spaceGroup:Fd-3m,id:mp-2749} |
| RD_157105084628_000 | computation | Reference Data From Materials Project: {formula:BeSe,spaceGroup:F-43m,id:mp-1541} |
| RD_157256841509_000 | computation | Reference Data From Materials Project: {formula:Be5Pd,spaceGroup:F-43m,id:mp-650} |
| RD_159456725485_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_159751161612_000 | computation | Reference Data From Materials Project: {formula:HfBe13,spaceGroup:Fm-3c,id:mp-1878} |
| RD_161091057670_000 | computation | Reference Data From Materials Project: {formula:TiBe,spaceGroup:Pm-3m,id:mp-11279} |
| RD_161545826733_000 | computation | Reference Data From Materials Project: {formula:Be2CuRh,spaceGroup:Fm-3m,id:mp-865308} |
| RD_161629475393_000 | computation | Reference Data From Materials Project: {formula:BeBiOs2,spaceGroup:F-43m,id:mp-631507} |
| RD_166019924782_000 | computation | Reference Data From Materials Project: {formula:Be(FeO2)2,spaceGroup:Pnam,id:mp-770953} |
| RD_168328655836_000 | computation | Reference Data From Materials Project: {formula:Be4TeO7,spaceGroup:F-43m,id:mp-27608} |
| RD_169050733852_000 | computation | Reference Data From Materials Project: {formula:Be3As2(H2O5)2,spaceGroup:C2/c,id:mp-24570} |
| RD_171375235757_000 | computation | Reference Data From Materials Project: {formula:BeAgPO4,spaceGroup:P2_1/c,id:mp-15919} |
| RD_175145938213_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_175814627294_000 | computation | Reference Data From Materials Project: {formula:Be(CoO2)2,spaceGroup:Fd-3m,id:mp-770957} |
| RD_176366024602_000 | computation | Reference Data From Materials Project: {formula:BeRu2W,spaceGroup:Fm-3m,id:mp-862622} |
| RD_177717362871_000 | computation | Reference Data From Materials Project: {formula:TaBeRu2,spaceGroup:Fm-3m,id:mp-867114} |
| RD_178659519032_000 | computation | Reference Data From Materials Project: {formula:Be3N2,spaceGroup:Ia3,id:mp-18337} |
| RD_178709561499_000 | computation | Reference Data From Materials Project: {formula:Be5Pd,spaceGroup:F-43m,id:mp-650} |
| RD_179959789014_000 | computation | Reference Data From Materials Project: {formula:BeSiRh2,spaceGroup:Fm-3m,id:mp-867767} |
| RD_180299420965_000 | computation | Reference Data From Materials Project: {formula:BeSiIr2,spaceGroup:Fm-3m,id:mp-865904} |
| RD_180678494021_000 | computation | Reference Data From Materials Project: {formula:BeVRu2,spaceGroup:Fm-3m,id:mp-867874} |
| RD_182088095872_000 | computation | Reference Data From Materials Project: {formula:HfBe2,spaceGroup:P6/mmm,id:mp-2553} |
| RD_183006278760_000 | computation | Reference Data From Materials Project: {formula:BeFe2Si,spaceGroup:Fm-3m,id:mp-862669} |
| RD_185242238522_000 | computation | Reference Data From Materials Project: {formula:Be2Nb,spaceGroup:Fd-3m,id:mp-2028} |
| RD_185376207961_000 | computation | Reference Data From Materials Project: {formula:RbBe2BO3F2,spaceGroup:R32,id:mp-7323} |
| RD_187962583468_000 | computation | Reference Data From Materials Project: {formula:Ba3Zr6BeCl18,spaceGroup:R-3c,id:mp-569563} |
| RD_192446694020_000 | computation | Reference Data From Materials Project: {formula:Mg(BeAs)2,spaceGroup:P-3m1,id:mp-865185} |
| RD_193890364416_000 | computation | Reference Data From Materials Project: {formula:Be2HgTe,spaceGroup:Fm-3m,id:mp-631516} |
| RD_196550099971_000 | computation | Reference Data From Materials Project: {formula:BeCo2Ge,spaceGroup:Fm-3m,id:mp-862706} |
| RD_197803808824_000 | computation | Reference Data From Materials Project: {formula:BeH8(NF2)2,spaceGroup:Pnma,id:mp-720982} |
| RD_203171749307_000 | computation | Reference Data From Materials Project: {formula:BeF2,spaceGroup:P6_222,id:mp-558118} |
| RD_203638678007_000 | computation | Reference Data From Materials Project: {formula:ZrBe2,spaceGroup:P6/mmm,id:mp-1252} |
| RD_204936034726_000 | computation | Reference Data From Materials Project: {formula:K2Be2PbF8,spaceGroup:R-3m,id:mp-7385} |
| RD_205480002754_000 | computation | Reference Data From Materials Project: {formula:LiBePd2,spaceGroup:Fm-3m,id:mp-862312} |
| RD_207020582758_000 | computation | Reference Data From Materials Project: {formula:TbBe13,spaceGroup:Fm-3c,id:mp-12615} |
| RD_210796750945_000 | computation | Reference Data From Materials Project: {formula:Ca12Be17O29,spaceGroup:F-43m,id:mp-27407} |
| RD_213118699781_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_214609794079_000 | computation | Reference Data From Materials Project: {formula:K2SrBe2F8,spaceGroup:R-3m,id:mp-12626} |
| RD_214771243581_000 | computation | Reference Data From Materials Project: {formula:Zr2Be17,spaceGroup:R-3m,id:mp-2544} |
| RD_216430271672_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_218801190143_000 | computation | Reference Data From Materials Project: {formula:BeF2,spaceGroup:P3_121,id:mp-15951} |
| RD_222085318546_000 | computation | Reference Data From Materials Project: {formula:Be2Te7Cl6,spaceGroup:Pnnm,id:mp-30096} |
| RD_222848210671_000 | computation | Reference Data From Materials Project: {formula:Ta2Be,spaceGroup:I4/mcm,id:mp-11278} |
| RD_223410924948_000 | computation | Reference Data From Materials Project: {formula:KBe(H2N)3,spaceGroup:Pcab,id:mp-24355} |
| RD_226733181207_000 | computation | Reference Data From Materials Project: {formula:K2BeH4(SeO5)2,spaceGroup:P2_1/c,id:mp-542813} |
| RD_226742711855_000 | computation | Reference Data From Materials Project: {formula:Li4Be3P3BrO12,spaceGroup:P-43n,id:mp-554560} |
| RD_226831565627_000 | computation | Reference Data From Materials Project: {formula:BeInSi2,spaceGroup:F-43m,id:mp-631467} |
| RD_230206852909_000 | computation | Reference Data From Materials Project: {formula:BeCl2,spaceGroup:P3_221,id:mp-569030} |
| RD_231763986597_000 | computation | Reference Data From Materials Project: {formula:Be2CdP,spaceGroup:Fm-3m,id:mp-631489} |
| RD_233467702075_000 | computation | Reference Data From Materials Project: {formula:BeCl2,spaceGroup:I-43m,id:mp-570227} |
| RD_233812145472_000 | computation | Reference Data From Materials Project: {formula:Ba2BeGa,spaceGroup:F-43m,id:mp-631574} |
| RD_235636188854_000 | computation | Reference Data From Materials Project: {formula:Rb3NaBe2F8,spaceGroup:P-3m1,id:mp-13630} |
| RD_236419623447_000 | computation | Reference Data From Materials Project: {formula:Na3LiBe2F8,spaceGroup:P2_1/c,id:mp-556906} |
| RD_237511133328_000 | computation | Reference Data From Materials Project: {formula:BeReB,spaceGroup:F-43m,id:mp-631537} |
| RD_238359098764_000 | computation | Reference Data From Materials Project: {formula:Ca3Be2P4(HO2)10,spaceGroup:P2_1/c,id:mp-707876} |
| RD_240700092461_000 | computation | Reference Data From Materials Project: {formula:CaBeB2O5,spaceGroup:P2_1/c,id:mp-554315} |
| RD_242696965494_000 | computation | Reference Data From Materials Project: {formula:NaBeO2,spaceGroup:C2/c,id:mp-753443} |
| RD_244148675333_000 | computation | Reference Data From Materials Project: {formula:Mg(BeN)2,spaceGroup:P-3m1,id:mp-11917} |
| RD_245740850805_000 | computation | Reference Data From Materials Project: {formula:MgBe13,spaceGroup:Fm-3c,id:mp-855} |
| RD_245746229600_000 | computation | Reference Data From Materials Project: {formula:BeO,spaceGroup:P4_2/mnm,id:mp-7599} |
| RD_245790968120_000 | computation | Reference Data From Materials Project: {formula:Be2Cr,spaceGroup:P6_3/mmc,id:mp-30438} |
| RD_245921798910_000 | computation | Reference Data From Materials Project: {formula:PuBe13,spaceGroup:Fm-3c,id:mp-337} |
| RD_245929910657_000 | computation | Reference Data From Materials Project: {formula:K2Mg2Be3F12,spaceGroup:P2_13,id:mp-13613} |
| RD_247192330830_000 | computation | Reference Data From Materials Project: {formula:Rb2BeF4,spaceGroup:Pmnb,id:mp-3009} |
| RD_248063614405_000 | computation | BeO in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_248392466180_000 | computation | Reference Data From Materials Project: {formula:Mg3BeAl8O16,spaceGroup:P6_3mc,id:mp-554018} |
| RD_249064041132_000 | computation | Reference Data From Materials Project: {formula:Cs2BeF4,spaceGroup:Pmnb,id:mp-5013} |
| RD_249977248535_000 | computation | Reference Data From Materials Project: {formula:BeSO4,spaceGroup:I-4,id:mp-5046} |
| RD_250937330575_000 | computation | Reference Data From Materials Project: {formula:BeAlB,spaceGroup:F-43m,id:mp-4262} |
| RD_257913586329_000 | computation | Reference Data From Materials Project: {formula:ZrBeCd,spaceGroup:F-43m,id:mp-631509} |
| RD_261534715420_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_261971171489_000 | computation | Reference Data From Materials Project: {formula:K2Be2O3,spaceGroup:P2_1/c,id:mp-754587} |
| RD_262544537961_000 | computation | Reference Data From Materials Project: {formula:KBePt,spaceGroup:F-43m,id:mp-631464} |
| RD_265266748836_000 | computation | Reference Data From Materials Project: {formula:BeCo2Si,spaceGroup:Fm-3m,id:mp-865901} |
| RD_269029363377_000 | computation | Reference Data From Materials Project: {formula:LiBeP,spaceGroup:P4/nmm,id:mp-9915} |
| RD_269186097636_000 | computation | Reference Data From Materials Project: {formula:TiBe,spaceGroup:Pm-3m,id:mp-11279} |
| RD_270219215112_000 | computation | Reference Data From Materials Project: {formula:Na6Be8O11,spaceGroup:P-1,id:mp-28559} |
| RD_271145344626_000 | computation | Reference Data From Materials Project: {formula:ZrBe13,spaceGroup:Fm-3c,id:mp-30445} |
| RD_271823089015_000 | computation | Reference Data From Materials Project: {formula:Be2CoIr,spaceGroup:Fm-3m,id:mp-867274} |
| RD_272857968658_000 | computation | Reference Data From Materials Project: {formula:Be2CuPt,spaceGroup:Fm-3m,id:mp-865869} |
| RD_274067609889_000 | computation | Reference Data From Materials Project: {formula:Be2Fe,spaceGroup:P6_3/mmc,id:mp-2225} |
| RD_275022224355_000 | computation | Reference Data From Materials Project: {formula:BeCo,spaceGroup:Pm-3m,id:mp-2773} |
| RD_276848691700_000 | computation | Reference Data From Materials Project: {formula:Cs2Ca2Be3F12,spaceGroup:P2_13,id:mp-562057} |
| RD_278113922222_000 | computation | Reference Data From Materials Project: {formula:CsBeH3,spaceGroup:P2_1/m,id:mp-24341} |
| RD_278132657770_000 | computation | Reference Data From Materials Project: {formula:BeCu,spaceGroup:Pm-3m,id:mp-2323} |
| RD_278434313960_000 | computation | Reference Data From Materials Project: {formula:NaBeAs,spaceGroup:P6_3/mmc,id:mp-9573} |
| RD_279743908145_000 | computation | Reference Data From Materials Project: {formula:LiBeH3,spaceGroup:P-1,id:mp-24817} |
| RD_283116386569_000 | computation | Reference Data From Materials Project: {formula:TaBe12,spaceGroup:I4/mmm,id:mp-567842} |
| RD_284165064272_000 | computation | Reference Data From Materials Project: {formula:Be2PH5O7,spaceGroup:P2_1/c,id:mp-705909} |
| RD_284472037887_000 | computation | Reference Data From Materials Project: {formula:Mn4Be3Si3TeO12,spaceGroup:P-43n,id:mp-25022} |
| RD_286905771627_000 | computation | Reference Data From Materials Project: {formula:Mn4Be3Si3SeO12,spaceGroup:P-43n,id:mp-25024} |
| RD_288208274036_000 | computation | Reference Data From Materials Project: {formula:Be2Nb,spaceGroup:Fd-3m,id:mp-2028} |
| RD_289392241471_000 | computation | BeO in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_291670409041_000 | computation | Reference Data From Materials Project: {formula:Be2Cu,spaceGroup:Fd-3m,id:mp-2031} |
| RD_292856911329_000 | computation | Reference Data From Materials Project: {formula:BeAu,spaceGroup:P2_13,id:mp-30365} |
| RD_293501481547_000 | computation | BeO in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_294252030360_000 | computation | Reference Data From Materials Project: {formula:Be22Re,spaceGroup:Fd-3m,id:mp-569364} |
| RD_295271353986_000 | computation | Reference Data From Materials Project: {formula:HfBeSi,spaceGroup:P6_3/mmc,id:mp-12571} |
| RD_295299808388_000 | computation | Reference Data From Materials Project: {formula:K2BeF4,spaceGroup:Pmnb,id:mp-5185} |
| RD_296380381245_000 | computation | Reference Data From Materials Project: {formula:Li2Ca3Be3Si3(O6F)2,spaceGroup:I2_13,id:mp-560036} |
| RD_297557545567_000 | computation | Reference Data From Materials Project: {formula:NaBeSi3HO8,spaceGroup:Pbnm,id:mp-556001} |
| RD_300162400958_000 | computation | Reference Data From Materials Project: {formula:BeH8(NO5)2,spaceGroup:I-42d,id:mp-706913} |
| RD_300467978914_000 | computation | Reference Data From Materials Project: {formula:Ti2MnBe,spaceGroup:Fm-3m,id:mp-861958} |
| RD_300653860304_000 | computation | Reference Data From Materials Project: {formula:Be2Ag,spaceGroup:Fd-3m,id:mp-603} |
| RD_305007256748_000 | computation | Reference Data From Materials Project: {formula:Mn4Be3Ge3SeO12,spaceGroup:P-43n,id:mp-25766} |
| RD_309638538257_000 | computation | Reference Data From Materials Project: {formula:Rb2Be2O3,spaceGroup:P2_1/c,id:mp-755999} |
| RD_309691964882_000 | computation | Reference Data From Materials Project: {formula:Be2IrPt,spaceGroup:Fm-3m,id:mp-867280} |
| RD_310018900023_000 | computation | Reference Data From Materials Project: {formula:Be(HO)2,spaceGroup:P2_12_12_1,id:mp-625823} |
| RD_310490548835_000 | computation | Reference Data From Materials Project: {formula:Be2C,spaceGroup:Fm-3m,id:mp-1569} |
| RD_310697779329_000 | computation | Reference Data From Materials Project: {formula:Be3Fe4Si3SO12,spaceGroup:P-43n,id:mp-19309} |
| RD_311968379724_000 | computation | Reference Data From Materials Project: {formula:BeF2,spaceGroup:P6_222,id:mp-558118} |
| RD_312868078659_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_313409123382_000 | computation | Reference Data From Materials Project: {formula:Be2NiPt,spaceGroup:Fm-3m,id:mp-866224} |
| RD_314409989234_000 | computation | Reference Data From Materials Project: {formula:BeVOs2,spaceGroup:Fm-3m,id:mp-867275} |
| RD_316515078715_000 | experiment | Experimental data collected from reference material at the University of Minnesota. Original source needs to be checked to verify ensemble and error values. |
| RD_320362022345_000 | computation | Reference Data From Materials Project: {formula:Be3P2(H2O5)2,spaceGroup:C2/c,id:mp-24674} |
| RD_320859646915_000 | computation | Reference Data From Materials Project: {formula:BeO,spaceGroup:P6_3mc,id:mp-2542} |
| RD_323333812827_000 | computation | Reference Data From Materials Project: {formula:BeCrRu2,spaceGroup:Fm-3m,id:mp-867837} |
| RD_323448929920_000 | computation | Reference Data From Materials Project: {formula:Be2Cu,spaceGroup:Fd-3m,id:mp-2031} |
| RD_324876048476_000 | computation | Reference Data From Materials Project: {formula:Dy2Be2GeO7,spaceGroup:P-42_1m,id:mp-20778} |
| RD_325458924756_000 | computation | Reference Data From Materials Project: {formula:BeF2,spaceGroup:R-3m,id:mp-559400} |
| RD_327344961524_000 | computation | Reference Data From Materials Project: {formula:NaBeAs,spaceGroup:P6_3/mmc,id:mp-9573} |
| RD_327703168197_000 | computation | Reference Data From Materials Project: {formula:BeO,spaceGroup:F-43m,id:mp-1778} |
| RD_329514593403_000 | computation | Reference Data From Materials Project: {formula:Be12Pd,spaceGroup:I4/mmm,id:mp-12666} |
| RD_330537244976_000 | computation | Reference Data From Materials Project: {formula:SmBeF4,spaceGroup:Pc2_1n,id:mp-573044} |
| RD_331416765023_000 | computation | Reference Data From Materials Project: {formula:BeVFe2,spaceGroup:Fm-3m,id:mp-867304} |
| RD_333027869359_000 | computation | Reference Data From Materials Project: {formula:KBe2BO3F2,spaceGroup:R32,id:mp-6870} |
| RD_333840175446_000 | computation | Reference Data From Materials Project: {formula:YbBe13,spaceGroup:Fm-3c,id:mp-865889} |
| RD_334126146465_000 | computation | Reference Data From Materials Project: {formula:Li2BeSiO4,spaceGroup:C222_1,id:mp-554159} |
| RD_334317491508_000 | computation | Reference Data From Materials Project: {formula:UBe13,spaceGroup:Fm-3c,id:mp-1163} |
| RD_335081726612_000 | computation | Reference Data From Materials Project: {formula:NaBeAs,spaceGroup:P6_3/mmc,id:mp-9573} |
| RD_337841321174_000 | computation | Reference Data From Materials Project: {formula:CaHfBe,spaceGroup:F-43m,id:mp-631479} |
| RD_338138346513_000 | computation | Reference Data From Materials Project: {formula:LiBeN,spaceGroup:P2_1/c,id:mp-29463} |
| RD_338278444270_000 | computation | Reference Data From Materials Project: {formula:BeRu2W,spaceGroup:Fm-3m,id:mp-862622} |
| RD_338935047372_000 | computation | Reference Data From Materials Project: {formula:CsBePO4,spaceGroup:Pmnb,id:mp-15395} |
| RD_339422561200_000 | computation | BeO in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_339459295999_000 | computation | Reference Data From Materials Project: {formula:BaBe2(BO3)2,spaceGroup:Fddd,id:mp-555070} |
| RD_339778703334_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_339981487823_000 | computation | Reference Data From Materials Project: {formula:Be3Nb,spaceGroup:R-3m,id:mp-11273} |
| RD_340046572145_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_343829968764_000 | computation | Reference Data From Materials Project: {formula:Be2RhAu,spaceGroup:Fm-3m,id:mp-866024} |
| RD_344838722486_000 | computation | Reference Data From Materials Project: {formula:Be2V,spaceGroup:P6_3/mmc,id:mp-11281} |
| RD_346700569094_000 | computation | Reference Data From Materials Project: {formula:Be3Fe4Si3TeO12,spaceGroup:P-43n,id:mp-704630} |
| RD_347376018962_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_347869698983_000 | computation | Reference Data From Materials Project: {formula:TiBeCo2,spaceGroup:Fm-3m,id:mp-866152} |
| RD_349536574974_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_349775395550_000 | computation | Reference Data From Materials Project: {formula:BaBe2Te,spaceGroup:Fm-3m,id:mp-631532} |
| RD_351520170575_000 | computation | BeO in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_354210665141_000 | computation | Reference Data From Materials Project: {formula:LaBeOs2,spaceGroup:F-43m,id:mp-631487} |
| RD_354396511152_000 | computation | Reference Data From Materials Project: {formula:BeCN2,spaceGroup:I-42d,id:mp-15703} |
| RD_354540103295_000 | computation | Reference Data From Materials Project: {formula:Ca(BeN)2,spaceGroup:I4/mcm,id:mp-11918} |
| RD_355289470802_000 | computation | Reference Data From Materials Project: {formula:BeSiN2,spaceGroup:P2_1nb,id:mp-7913} |
| RD_356940771624_000 | computation | Reference Data From Materials Project: {formula:Na4BeAlSi4ClO12,spaceGroup:Cc,id:mp-42508} |
| RD_359108222542_000 | computation | Reference Data From Materials Project: {formula:BaBeSiO4,spaceGroup:Cm,id:mp-550751} |
| RD_359683947925_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_360546035340_000 | computation | Reference Data From Materials Project: {formula:Be,spaceGroup:Im-3m,id:mp-20} |
| RD_362403204087_000 | computation | Reference Data From Materials Project: {formula:Be5Au,spaceGroup:F-43m,id:mp-1220} |
| RD_363281867191_000 | computation | Reference Data From Materials Project: {formula:Ca(BeGe)2,spaceGroup:P4/nmm,id:mp-31209} |
| RD_363313820035_000 | computation | Reference Data From Materials Project: {formula:CsBeAsO4,spaceGroup:P2_1cn,id:mp-9113} |
| RD_363623755175_000 | computation | Reference Data From Materials Project: {formula:Be(GaO2)2,spaceGroup:P3_2,id:mp-757917} |
| RD_364141053925_000 | computation | Reference Data From Materials Project: {formula:TaBe2,spaceGroup:Fd-3m,id:mp-2676} |
| RD_364144407301_000 | computation | Reference Data From Materials Project: {formula:Be2Nb3,spaceGroup:P4/mbm,id:mp-11272} |
| RD_365412398678_000 | computation | Reference Data From Materials Project: {formula:LiTaBe,spaceGroup:F-43m,id:mp-631449} |
| RD_368003799627_000 | computation | Reference Data From Materials Project: {formula:BeCu,spaceGroup:Pm-3m,id:mp-2323} |
| RD_368461133381_000 | computation | Reference Data From Materials Project: {formula:BeReB,spaceGroup:F-43m,id:mp-631537} |
| RD_368840814320_000 | computation | Reference Data From Materials Project: {formula:BeGeB,spaceGroup:F-43m,id:mp-631541} |
| RD_369609499919_000 | computation | Reference Data From Materials Project: {formula:SrScBe,spaceGroup:F-43m,id:mp-631468} |
| RD_370640525123_000 | computation | Reference Data From Materials Project: {formula:Be2IrPt,spaceGroup:Fm-3m,id:mp-867280} |
| RD_372049458369_000 | computation | Reference Data From Materials Project: {formula:BeSbAs2,spaceGroup:Fm-3m,id:mp-631578} |
| RD_372509647808_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_372575084608_000 | computation | Reference Data From Materials Project: {formula:SrBe2(BO3)2,spaceGroup:P2_1/c,id:mp-558981} |
| RD_372769949422_000 | computation | Reference Data From Materials Project: {formula:Be3Zn4Si3SO12,spaceGroup:P-43n,id:mp-6856} |
| RD_372781788716_000 | computation | Reference Data From Materials Project: {formula:ThBe13,spaceGroup:Fm-3c,id:mp-1562} |
| RD_372805632478_000 | computation | Reference Data From Materials Project: {formula:RbBe2F5,spaceGroup:P1,id:mp-696736} |
| RD_373189399133_000 | computation | Reference Data From Materials Project: {formula:Li4Be3P3ClO12,spaceGroup:P-43n,id:mp-560894} |
| RD_377065839482_000 | computation | Reference Data From Materials Project: {formula:SrBe3O4,spaceGroup:P-62c,id:mp-27791} |
| RD_378848157791_000 | computation | Reference Data From Materials Project: {formula:BeCrO4,spaceGroup:P2_1/c,id:mp-772665} |
| RD_378875554938_000 | computation | Reference Data From Materials Project: {formula:SrBe13,spaceGroup:Fm-3c,id:mp-2080} |
| RD_379598985474_000 | computation | Reference Data From Materials Project: {formula:Be22Re,spaceGroup:Fd-3m,id:mp-569364} |
| RD_380669874931_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_383214276703_000 | computation | Reference Data From Materials Project: {formula:La2Be2O5,spaceGroup:C2/c,id:mp-28072} |
| RD_386979677647_000 | computation | Reference Data From Materials Project: {formula:Na8Be3Si9(ClO12)2,spaceGroup:P1,id:mp-40201} |
| RD_387561534301_000 | computation | Reference Data From Materials Project: {formula:BaBe2Si2O7,spaceGroup:P2_1nm,id:mp-12797} |
| RD_388489611539_000 | computation | Reference Data From Materials Project: {formula:BaBeGa,spaceGroup:F-43m,id:mp-631517} |
| RD_389428538712_000 | computation | Reference Data From Materials Project: {formula:BeVCo2,spaceGroup:Fm-3m,id:mp-866288} |
| RD_390066233570_000 | computation | Reference Data From Materials Project: {formula:Be2RuAu,spaceGroup:Fm-3m,id:mp-867307} |
| RD_390944087162_000 | computation | Reference Data From Materials Project: {formula:Na16Be8H15,spaceGroup:P1,id:mp-685459} |
| RD_390993818181_000 | computation | Reference Data From Materials Project: {formula:Be4N6O19,spaceGroup:P3,id:mp-30142} |
| RD_391021331638_000 | computation | Reference Data From Materials Project: {formula:LiBePt2,spaceGroup:Fm-3m,id:mp-862316} |
| RD_391802918609_000 | computation | Reference Data From Materials Project: {formula:MnBe2Pt,spaceGroup:Fm-3m,id:mp-864944} |
| RD_394180357461_000 | computation | Reference Data From Materials Project: {formula:HfBe5,spaceGroup:P6/mmm,id:mp-2025} |
| RD_397085370925_000 | computation | Reference Data From Materials Project: {formula:KBePO4,spaceGroup:P2_1nb,id:mp-7324} |
| RD_397974913886_000 | computation | Reference Data From Materials Project: {formula:La3ScBeS7,spaceGroup:P6_3,id:mp-866696} |
| RD_401470511068_000 | computation | Reference Data From Materials Project: {formula:Be2IrPd,spaceGroup:Fm-3m,id:mp-865003} |
| RD_402462543426_000 | computation | Reference Data From Materials Project: {formula:Be3Ni,spaceGroup:I4/mmm,id:mp-865168} |
| RD_403051546899_000 | computation | Reference Data From Materials Project: {formula:Be2Mo,spaceGroup:P6_3/mmc,id:mp-1677} |
| RD_404380846916_000 | computation | Reference Data From Materials Project: {formula:BeVRu2,spaceGroup:Fm-3m,id:mp-867874} |
| RD_406462776236_000 | computation | Reference Data From Materials Project: {formula:NaBeSb,spaceGroup:P6_3/mmc,id:mp-9574} |
| RD_407777580447_000 | computation | Reference Data From Materials Project: {formula:BeVOs2,spaceGroup:Fm-3m,id:mp-867275} |
| RD_410491418637_000 | computation | Reference Data From Materials Project: {formula:Sc2BeTc,spaceGroup:Fm-3m,id:mp-862563} |
| RD_412802221785_000 | computation | Reference Data From Materials Project: {formula:LiBeH4NF4,spaceGroup:Pca2_1,id:mp-706611} |
| RD_413415623054_000 | computation | Reference Data From Materials Project: {formula:CaBe3O4,spaceGroup:P-62c,id:mp-754739} |
| RD_413440552165_000 | computation | Reference Data From Materials Project: {formula:Y2BeAlBO7,spaceGroup:P2_12_12_1,id:mp-686689} |
| RD_414520321048_000 | computation | Reference Data From Materials Project: {formula:YbBe13,spaceGroup:Fm-3c,id:mp-865889} |
| RD_415030521641_000 | computation | Reference Data From Materials Project: {formula:NaBeSb,spaceGroup:P6_3/mmc,id:mp-9574} |
| RD_415939563050_000 | computation | Reference Data From Materials Project: {formula:TiBeRh2,spaceGroup:Fm-3m,id:mp-866143} |
| RD_416570813353_000 | computation | Reference Data From Materials Project: {formula:BeGaIr2,spaceGroup:Fm-3m,id:mp-867116} |
| RD_417025146027_000 | computation | Reference Data From Materials Project: {formula:BePd,spaceGroup:Pm-3m,id:mp-11274} |
| RD_420053842741_000 | computation | Reference Data From Materials Project: {formula:Be(CN)2,spaceGroup:P4_2nm,id:mp-35687} |
| RD_423258408343_000 | computation | Reference Data From Materials Project: {formula:Be2Mo,spaceGroup:P6_3/mmc,id:mp-1677} |
| RD_423714978751_000 | computation | Reference Data From Materials Project: {formula:Be3P2,spaceGroup:Ia3,id:mp-567841} |
| RD_425010384863_000 | computation | Reference Data From Materials Project: {formula:Be3P2,spaceGroup:Ia3,id:mp-567841} |
| RD_426724328998_000 | computation | Reference Data From Materials Project: {formula:Ti2MnBe,spaceGroup:Fm-3m,id:mp-861958} |
| RD_426886800994_000 | computation | Reference Data From Materials Project: {formula:Mn4Be3Si3SO12,spaceGroup:P-43n,id:mp-19314} |
| RD_427080776392_000 | computation | Reference Data From Materials Project: {formula:Y2Be2SiO7,spaceGroup:P-42_1m,id:mp-6655} |
| RD_431874264746_000 | computation | Reference Data From Materials Project: {formula:Mn4Be3Ge3SeO12,spaceGroup:P-43n,id:mp-25766} |
| RD_431984976875_000 | computation | Reference Data From Materials Project: {formula:Be2TlF5,spaceGroup:C2/c,id:mp-27187} |
| RD_433044589971_000 | computation | Reference Data From Materials Project: {formula:Be2CoH20N2(O3F4)2,spaceGroup:P2_1/c,id:mp-25732} |
| RD_434350284064_000 | computation | Reference Data From Materials Project: {formula:Be2CuIr,spaceGroup:Fm-3m,id:mp-867273} |
| RD_434591582206_000 | computation | Reference Data From Materials Project: {formula:Y2Be2GeO7,spaceGroup:P-42_1m,id:mp-541040} |
| RD_443732020613_000 | computation | Reference Data From Materials Project: {formula:BeCrRu2,spaceGroup:Fm-3m,id:mp-867837} |
| RD_444132284712_000 | computation | Reference Data From Materials Project: {formula:K3BeF5,spaceGroup:I4/mcm,id:mp-17895} |
| RD_447572452694_000 | computation | Reference Data From Materials Project: {formula:Be2NiIr,spaceGroup:Fm-3m,id:mp-865229} |
| RD_448156685576_000 | computation | Reference Data From Materials Project: {formula:TiBe2,spaceGroup:Fd-3m,id:mp-2749} |
| RD_448241210523_000 | computation | Reference Data From Materials Project: {formula:Li6ZrBeF12,spaceGroup:I4_1/amd,id:mp-559708} |
| RD_448517846063_000 | computation | Reference Data From Materials Project: {formula:Be(PO3)2,spaceGroup:C222_1,id:mp-560521} |
| RD_449277199784_000 | computation | Reference Data From Materials Project: {formula:Sr2Be2B2O7,spaceGroup:P-6c2,id:mp-556498} |
| RD_450886024729_000 | computation | Reference Data From Materials Project: {formula:CsBe2F5,spaceGroup:P4_132,id:mp-27192} |
| RD_451186521312_000 | computation | Reference Data From Materials Project: {formula:K2Be3Zn2F12,spaceGroup:P2_13,id:mp-6372} |
| RD_451233360899_000 | computation | Reference Data From Materials Project: {formula:BeH14(I2O9)2,spaceGroup:Pnam,id:mp-723109} |
| RD_452775310787_000 | computation | Reference Data From Materials Project: {formula:LaBeOs2,spaceGroup:F-43m,id:mp-631487} |
| RD_453486674737_000 | computation | Reference Data From Materials Project: {formula:BeH8(NF2)2,spaceGroup:Pc2_1n,id:mp-24614} |
| RD_454602295366_000 | computation | Reference Data From Materials Project: {formula:Mg(BeN)2,spaceGroup:P-3m1,id:mp-11917} |
| RD_454715527841_000 | computation | Reference Data From Materials Project: {formula:Be,spaceGroup:Im-3m,id:mp-20} |
| RD_455165145430_000 | computation | Reference Data From Materials Project: {formula:Be3P2,spaceGroup:Ia3,id:mp-567841} |
| RD_455817705177_000 | computation | Reference Data From Materials Project: {formula:Sc2BeTc,spaceGroup:Fm-3m,id:mp-862563} |
| RD_457175255175_000 | computation | Reference Data From Materials Project: {formula:MnBe2Rh,spaceGroup:Fm-3m,id:mp-864945} |
| RD_457317105225_000 | computation | Reference Data From Materials Project: {formula:BeSiOs2,spaceGroup:Fm-3m,id:mp-867107} |
| RD_458970555467_000 | computation | Reference Data From Materials Project: {formula:BeMo3,spaceGroup:Pm-3n,id:mp-11271} |
| RD_461185228241_000 | computation | Reference Data From Materials Project: {formula:Na2BeSiO4,spaceGroup:P2_1/c,id:mp-17183} |
| RD_461224935185_000 | computation | Reference Data From Materials Project: {formula:BeVFe2,spaceGroup:Fm-3m,id:mp-867304} |
| RD_464299423330_000 | computation | Reference Data From Materials Project: {formula:Be2P2O7,spaceGroup:C2/c,id:mp-779622} |
| RD_464330989682_000 | computation | Reference Data From Materials Project: {formula:Mn4Be3Ge3SO12,spaceGroup:P-43n,id:mp-25772} |
| RD_465602842476_000 | computation | Reference Data From Materials Project: {formula:Mg3BeAl8O16,spaceGroup:P6_3mc,id:mp-554018} |
| RD_465783993695_000 | computation | Reference Data From Materials Project: {formula:RbNa5Be8O11,spaceGroup:P-1,id:mp-560092} |
| RD_467816997300_000 | computation | Reference Data From Materials Project: {formula:BeF2,spaceGroup:C2,id:mp-684652} |
| RD_470749360505_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3SeO12,spaceGroup:P-43n,id:mp-16793} |
| RD_471397477269_000 | computation | Reference Data From Materials Project: {formula:Be2V,spaceGroup:P6_3/mmc,id:mp-11281} |
| RD_473449454790_000 | computation | Reference Data From Materials Project: {formula:BeAlIr2,spaceGroup:Fm-3m,id:mp-865966} |
| RD_475950342502_000 | computation | Reference Data From Materials Project: {formula:Be2Re,spaceGroup:P6_3/mmc,id:mp-11275} |
| RD_476208078136_000 | computation | Reference Data From Materials Project: {formula:TiBe12,spaceGroup:P6/mmm,id:mp-11280} |
| RD_476234467490_000 | computation | Reference Data From Materials Project: {formula:La3ScBeS7,spaceGroup:P6_3,id:mp-866696} |
| RD_479634481635_000 | computation | Reference Data From Materials Project: {formula:ZrBe5,spaceGroup:P6/mmm,id:mp-11283} |
| RD_481081041703_000 | computation | Reference Data From Materials Project: {formula:Be3Fe4Si3SeO12,spaceGroup:P-43n,id:mp-704536} |
| RD_481391374769_000 | computation | Reference Data From Materials Project: {formula:LiBeH5(NF2)2,spaceGroup:Pna2_1,id:mp-721303} |
| RD_483635783765_000 | computation | Reference Data From Materials Project: {formula:Be2CuIr,spaceGroup:Fm-3m,id:mp-867273} |
| RD_484107670285_000 | computation | Reference Data From Materials Project: {formula:Be3Fe4Si3SO12,spaceGroup:R3c,id:mp-627398} |
| RD_486547892509_000 | computation | Reference Data From Materials Project: {formula:BeW2Cl,spaceGroup:Fm-3m,id:mp-631535} |
| RD_489623972143_000 | computation | Reference Data From Materials Project: {formula:Be17Ru3,spaceGroup:Im3,id:mp-30443} |
| RD_490585595239_000 | computation | Reference Data From Materials Project: {formula:Be(HO)2,spaceGroup:P2_12_12_1,id:mp-697136} |
| RD_490966636750_000 | computation | Reference Data From Materials Project: {formula:Na6BeO4,spaceGroup:P6_3mc,id:mp-755546} |
| RD_492222771782_000 | computation | Reference Data From Materials Project: {formula:Be22W,spaceGroup:Fd-3m,id:mp-30444} |
| RD_492262079898_000 | computation | Reference Data From Materials Project: {formula:Ba2BeGa,spaceGroup:F-43m,id:mp-631574} |
| RD_492555046712_000 | computation | Reference Data From Materials Project: {formula:Be(CoO2)2,spaceGroup:Fd-3m,id:mp-770957} |
| RD_494597552738_000 | computation | Reference Data From Materials Project: {formula:Be3N2,spaceGroup:P6_3/mmc,id:mp-6977} |
| RD_494734004348_000 | computation | BeO in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_494984492726_000 | computation | Reference Data From Materials Project: {formula:Na2Be2O3,spaceGroup:P2_1/c,id:mp-755789} |
| RD_496685822909_000 | computation | Reference Data From Materials Project: {formula:BeCrO4,spaceGroup:P2_1/c,id:mp-770887} |
| RD_496728049764_000 | computation | Reference Data From Materials Project: {formula:BeTcSe,spaceGroup:F-43m,id:mp-631462} |
| RD_497396350564_000 | computation | Reference Data From Materials Project: {formula:KLiBeF4,spaceGroup:P6_3,id:mp-6253} |
| RD_500164202379_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_500182669056_000 | computation | Reference Data From Materials Project: {formula:Be2Re,spaceGroup:P6_3/mmc,id:mp-11275} |
| RD_501338579608_000 | computation | Reference Data From Materials Project: {formula:MnBe2Ir,spaceGroup:Fm-3m,id:mp-864943} |
| RD_504841593498_000 | computation | Reference Data From Materials Project: {formula:Be(CoO2)2,spaceGroup:Pnam,id:mp-761575} |
| RD_506683722328_000 | computation | Reference Data From Materials Project: {formula:Be3Fe4Si3SeO12,spaceGroup:P-43n,id:mp-704536} |
| RD_509563613394_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3TeO12,spaceGroup:P-43n,id:mp-17167} |
| RD_509772340716_000 | computation | Reference Data From Materials Project: {formula:Be5Pd,spaceGroup:F-43m,id:mp-650} |
| RD_510743069741_000 | computation | Reference Data From Materials Project: {formula:Be2Cr,spaceGroup:P6_3/mmc,id:mp-30438} |
| RD_510749811168_000 | computation | Reference Data From Materials Project: {formula:K2Na4Be2O5,spaceGroup:P4_2/mnm,id:mp-14324} |
| RD_513047139506_000 | computation | Reference Data From Materials Project: {formula:Be,spaceGroup:P6_3/mmc,id:mp-87} |
| RD_516104710011_000 | computation | Be in AFLOW crystal prototype A_cI2_229_a (Body-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_516268650423_000 | computation | BeO in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_516574133771_000 | computation | Reference Data From Materials Project: {formula:BeAu,spaceGroup:P2_13,id:mp-30365} |
| RD_516678522269_000 | computation | Reference Data From Materials Project: {formula:Be2NiRh,spaceGroup:Fm-3m,id:mp-864895} |
| RD_517204591804_000 | computation | Reference Data From Materials Project: {formula:Be2CoNi,spaceGroup:Fm-3m,id:mp-867271} |
| RD_518852997514_000 | computation | Reference Data From Materials Project: {formula:BeH8(IO5)2,spaceGroup:Pccn,id:mp-734194} |
| RD_519864320041_000 | computation | Reference Data From Materials Project: {formula:BeGaRh2,spaceGroup:Fm-3m,id:mp-862291} |
| RD_520235334705_000 | computation | Reference Data From Materials Project: {formula:Be2Cu,spaceGroup:Fd-3m,id:mp-2031} |
| RD_520487082057_000 | computation | Reference Data From Materials Project: {formula:BeNi,spaceGroup:Pm-3m,id:mp-1033} |
| RD_520732274681_000 | computation | Reference Data From Materials Project: {formula:Be22Re,spaceGroup:Fd-3m,id:mp-569364} |
| RD_524231204042_000 | computation | Reference Data From Materials Project: {formula:BeClO,spaceGroup:R-3m,id:mp-754163} |
| RD_524792186008_000 | computation | Reference Data From Materials Project: {formula:BeMo3,spaceGroup:Pm-3n,id:mp-11271} |
| RD_524799583785_000 | computation | Reference Data From Materials Project: {formula:Li2BeSiO4,spaceGroup:Pc,id:mp-8070} |
| RD_526084410063_000 | computation | Reference Data From Materials Project: {formula:Be2TlF5,spaceGroup:P2/c,id:mp-504450} |
| RD_530146289594_000 | computation | Reference Data From Materials Project: {formula:Be17Ru3,spaceGroup:Im3,id:mp-30443} |
| RD_531231327853_000 | computation | Reference Data From Materials Project: {formula:Sr(BeN)2,spaceGroup:I4/mcm,id:mp-11919} |
| RD_531687737069_000 | computation | Reference Data From Materials Project: {formula:Be2CoIr,spaceGroup:Fm-3m,id:mp-867274} |
| RD_532482528849_000 | computation | Reference Data From Materials Project: {formula:CsBe4Al4(B3O7)4,spaceGroup:P-43m,id:mp-540725} |
| RD_532487625515_000 | computation | Reference Data From Materials Project: {formula:Be2RhPt,spaceGroup:Fm-3m,id:mp-862600} |
| RD_532548993178_000 | computation | Reference Data From Materials Project: {formula:Rb2Be2Si2O7,spaceGroup:Pnn2,id:mp-557027} |
| RD_532669718413_000 | computation | Reference Data From Materials Project: {formula:BeH4NF3,spaceGroup:Pc,id:mp-696961} |
| RD_534591497762_000 | computation | Reference Data From Materials Project: {formula:K6Be4C6O19,spaceGroup:R-3,id:mp-555866} |
| RD_534710444617_000 | computation | Reference Data From Materials Project: {formula:Be2PdRh,spaceGroup:Fm-3m,id:mp-866115} |
| RD_535694561561_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_536781290954_000 | computation | Reference Data From Materials Project: {formula:Na8BeAl4Si7(BrO12)2,spaceGroup:P-4,id:mp-43188} |
| RD_538735519652_000 | computation | Reference Data From Materials Project: {formula:BeCo,spaceGroup:Pm-3m,id:mp-2773} |
| RD_539669151164_000 | computation | Reference Data From Materials Project: {formula:BeSiIr2,spaceGroup:Fm-3m,id:mp-865904} |
| RD_541968335189_000 | computation | Reference Data From Materials Project: {formula:Be(Bi3O5)4,spaceGroup:I23,id:mp-772198} |
| RD_542618405793_000 | computation | Reference Data From Materials Project: {formula:BeAlH5,spaceGroup:P2_1,id:mp-23719} |
| RD_542684544108_000 | computation | Reference Data From Materials Project: {formula:Be12Ag,spaceGroup:I4/mmm,id:mp-12665} |
| RD_542986821965_000 | computation | Reference Data From Materials Project: {formula:BeInBi,spaceGroup:F-43m,id:mp-631497} |
| RD_546208950494_000 | computation | Reference Data From Materials Project: {formula:Ba2BeS(OF)4,spaceGroup:P2_1,id:mp-679630} |
| RD_546550120758_000 | computation | Reference Data From Materials Project: {formula:BeSe,spaceGroup:Fm-3m,id:mp-11335} |
| RD_546925281477_000 | computation | Reference Data From Materials Project: {formula:Be22Mo,spaceGroup:Fd-3m,id:mp-30440} |
| RD_547107959752_000 | computation | Reference Data From Materials Project: {formula:Sc2BeRu,spaceGroup:Fm-3m,id:mp-862553} |
| RD_548384628945_000 | computation | Reference Data From Materials Project: {formula:Be17Ru3,spaceGroup:Im3,id:mp-30443} |
| RD_548799587134_000 | computation | Reference Data From Materials Project: {formula:Ca3TiBe2Si2(As3O10)2,spaceGroup:P-3c1,id:mp-558370} |
| RD_549009757580_000 | computation | Reference Data From Materials Project: {formula:Ta2BeO6,spaceGroup:Pnma,id:mp-772825} |
| RD_549361345536_000 | computation | Reference Data From Materials Project: {formula:Ta6Be15Cu8,spaceGroup:Fm-3m,id:mp-30439} |
| RD_549806964237_000 | computation | Reference Data From Materials Project: {formula:Li66Be24H35,spaceGroup:P1,id:mp-722623} |
| RD_549957505665_000 | computation | Reference Data From Materials Project: {formula:BeSe,spaceGroup:F-43m,id:mp-1541} |
| RD_552463452985_000 | computation | Reference Data From Materials Project: {formula:Na10Be4Si4O17,spaceGroup:P-43m,id:mp-555606} |
| RD_553591759690_000 | computation | Reference Data From Materials Project: {formula:BeH8(NF2)2,spaceGroup:Pnam,id:mp-695866} |
| RD_554088781588_000 | computation | Reference Data From Materials Project: {formula:MgBe2B,spaceGroup:F-43m,id:mp-631564} |
| RD_556469150660_000 | computation | Reference Data From Materials Project: {formula:BeSiNi2,spaceGroup:Fm-3m,id:mp-865792} |
| RD_556682447970_000 | computation | Reference Data From Materials Project: {formula:Be3Rh,spaceGroup:P6_3/mmc,id:mp-864894} |
| RD_556866168973_000 | computation | Reference Data From Materials Project: {formula:Na8BeAl4Si7(ClO12)2,spaceGroup:P-4,id:mp-42583} |
| RD_557289342468_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_559300509917_000 | computation | Reference Data From Materials Project: {formula:BeCo,spaceGroup:Pm-3m,id:mp-2773} |
| RD_560015184268_000 | computation | Reference Data From Materials Project: {formula:BeVOs2,spaceGroup:Fm-3m,id:mp-867275} |
| RD_560168767665_000 | computation | Reference Data From Materials Project: {formula:HfBeSi,spaceGroup:P6_3/mmc,id:mp-12571} |
| RD_562549042527_000 | computation | Reference Data From Materials Project: {formula:BeInBi,spaceGroup:F-43m,id:mp-631497} |
| RD_563216995393_000 | computation | Reference Data From Materials Project: {formula:BePd3,spaceGroup:Cmcm,id:mp-13453} |
| RD_565684420868_000 | computation | Reference Data From Materials Project: {formula:Be3P2,spaceGroup:Ia3,id:mp-567841} |
| RD_565939207088_000 | computation | Reference Data From Materials Project: {formula:BeAlSiHO5,spaceGroup:P2_1/c,id:mp-759686} |
| RD_568772227881_000 | computation | Reference Data From Materials Project: {formula:BePd2,spaceGroup:I4/mmm,id:mp-13452} |
| RD_570845672884_000 | computation | Reference Data From Materials Project: {formula:Ca3TiBe2Si2(As3O10)2,spaceGroup:P-3c1,id:mp-558370} |
| RD_571073404995_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_573490883777_000 | computation | Reference Data From Materials Project: {formula:MgBe13,spaceGroup:Fm-3c,id:mp-855} |
| RD_574398311209_000 | computation | Reference Data From Materials Project: {formula:SrBeF4,spaceGroup:P2_1/c,id:mp-9726} |
| RD_575704832576_000 | computation | Reference Data From Materials Project: {formula:Li4Be3P3ClO12,spaceGroup:P-43n,id:mp-560894} |
| RD_577840841032_000 | computation | Reference Data From Materials Project: {formula:Be2P2O7,spaceGroup:Pbcm,id:mp-779108} |
| RD_578685674560_000 | computation | Reference Data From Materials Project: {formula:K2Mn2Be3F12,spaceGroup:P2_13,id:mp-557613} |
| RD_585321527345_000 | computation | Reference Data From Materials Project: {formula:Be2HgTe,spaceGroup:Fm-3m,id:mp-631516} |
| RD_586632573567_000 | computation | Reference Data From Materials Project: {formula:Rb2Be2O3,spaceGroup:Pnma,id:mp-755752} |
| RD_589743159314_000 | computation | Reference Data From Materials Project: {formula:BeH6(NF2)2,spaceGroup:P2_1/c,id:mp-707175} |
| RD_591015942345_000 | computation | Reference Data From Materials Project: {formula:BeFeRh2,spaceGroup:Fm-3m,id:mp-867840} |
| RD_592263699078_000 | computation | Reference Data From Materials Project: {formula:MnBe2Ir,spaceGroup:Fm-3m,id:mp-864943} |
| RD_593554796052_000 | computation | Reference Data From Materials Project: {formula:Be(FeO2)2,spaceGroup:Pcmn,id:mp-770566} |
| RD_594478929675_000 | computation | Reference Data From Materials Project: {formula:NaBeH3,spaceGroup:Pm-3m,id:mp-23729} |
| RD_594534571188_000 | computation | Reference Data From Materials Project: {formula:MnBe2,spaceGroup:P6_3/mmc,id:mp-11270} |
| RD_595270688199_000 | computation | Reference Data From Materials Project: {formula:Be2Nb,spaceGroup:Fd-3m,id:mp-2028} |
| RD_596021282318_000 | computation | Reference Data From Materials Project: {formula:BeAl6O10,spaceGroup:P2_1/c,id:mp-560974} |
| RD_599624118160_000 | computation | Reference Data From Materials Project: {formula:K4BeAs2,spaceGroup:R-3m,id:mp-29584} |
| RD_600012548122_000 | computation | Reference Data From Materials Project: {formula:Eu3BeO5,spaceGroup:Pcmn,id:mp-579259} |
| RD_600651959227_000 | computation | Reference Data From Materials Project: {formula:NaBePO4,spaceGroup:P2_1/c,id:mp-6392} |
| RD_601258360478_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_602792504308_000 | computation | Reference Data From Materials Project: {formula:BeI2,spaceGroup:Icma,id:mp-570886} |
| RD_603421715831_000 | computation | Reference Data From Materials Project: {formula:BeRh,spaceGroup:Pm-3m,id:mp-11276} |
| RD_603946872500_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3SO12,spaceGroup:P-43n,id:mp-17493} |
| RD_606160252373_000 | computation | Reference Data From Materials Project: {formula:Be2RuPt,spaceGroup:Fm-3m,id:mp-865021} |
| RD_606990699220_000 | computation | Reference Data From Materials Project: {formula:NaCaBeSi2O6F,spaceGroup:P2_12_12_1,id:mp-560721} |
| RD_607542559095_000 | computation | Reference Data From Materials Project: {formula:TiBeRh2,spaceGroup:Fm-3m,id:mp-866143} |
| RD_607719433141_000 | computation | Reference Data From Materials Project: {formula:Y2BeO4,spaceGroup:Pmcn,id:mp-5905} |
| RD_608911149791_000 | computation | Reference Data From Materials Project: {formula:KLiBeF4,spaceGroup:P6_3,id:mp-6253} |
| RD_612952229779_000 | computation | Reference Data From Materials Project: {formula:HfBeRh2,spaceGroup:Fm-3m,id:mp-865163} |
| RD_613048487262_000 | computation | Reference Data From Materials Project: {formula:Be(GaO2)2,spaceGroup:P3_2,id:mp-757917} |
| RD_613053034799_000 | computation | Reference Data From Materials Project: {formula:LiTaBe,spaceGroup:F-43m,id:mp-631449} |
| RD_614849878991_000 | computation | Reference Data From Materials Project: {formula:K2Be2Zn2Si3O11,spaceGroup:Imcm,id:mp-557516} |
| RD_615067111826_000 | computation | Reference Data From Materials Project: {formula:Be2Fe,spaceGroup:P6_3/mmc,id:mp-2225} |
| RD_616786327369_000 | computation | Reference Data From Materials Project: {formula:BeH2SeO4,spaceGroup:P2_12_12_1,id:mp-757836} |
| RD_619846744672_000 | computation | Reference Data From Materials Project: {formula:BeFe2Si,spaceGroup:Fm-3m,id:mp-862669} |
| RD_621586048155_000 | computation | Reference Data From Materials Project: {formula:BeCl2,spaceGroup:I-43m,id:mp-570227} |
| RD_621771043252_000 | computation | BeO in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_622100790900_000 | computation | Reference Data From Materials Project: {formula:Na2BeSiO4,spaceGroup:Pbc2_1,id:mp-6236} |
| RD_623008592179_000 | computation | Reference Data From Materials Project: {formula:TbBe13,spaceGroup:Fm-3c,id:mp-12615} |
| RD_623377468129_000 | computation | Reference Data From Materials Project: {formula:CsLiBeF4,spaceGroup:P2_1/c,id:mp-18704} |
| RD_623776203390_000 | computation | Reference Data From Materials Project: {formula:BeCo2Ge,spaceGroup:Fm-3m,id:mp-862706} |
| RD_623986086017_000 | computation | BeO in AFLOW crystal prototype AB_tP8_136_f_g (betaBeO). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_624694409689_000 | computation | Reference Data From Materials Project: {formula:UBe13,spaceGroup:Fm-3c,id:mp-1163} |
| RD_624694818920_000 | computation | Reference Data From Materials Project: {formula:Be2V,spaceGroup:P6_3/mmc,id:mp-11281} |
| RD_625554503656_000 | computation | Reference Data From Materials Project: {formula:BeNbRu2,spaceGroup:Fm-3m,id:mp-867828} |
| RD_626043456448_000 | computation | Reference Data From Materials Project: {formula:Be22Mo,spaceGroup:Fd-3m,id:mp-30440} |
| RD_626355400410_000 | computation | Reference Data From Materials Project: {formula:Be2ReCl,spaceGroup:F-43m,id:mp-631496} |
| RD_626839885655_000 | computation | Reference Data From Materials Project: {formula:Pr2Be2GeO7,spaceGroup:P-42_1m,id:mp-14415} |
| RD_626856321338_000 | computation | Reference Data From Materials Project: {formula:BeGaRh2,spaceGroup:Fm-3m,id:mp-862291} |
| RD_627801639620_000 | computation | Reference Data From Materials Project: {formula:Ti11BeO20,spaceGroup:P-1,id:mp-780463} |
| RD_629825492553_000 | computation | Reference Data From Materials Project: {formula:Na2Be(SiO3)2,spaceGroup:Fdd2,id:mp-556013} |
| RD_630453962358_000 | computation | Reference Data From Materials Project: {formula:Pr9Be4O20,spaceGroup:P1,id:mp-675648} |
| RD_634108024780_000 | computation | Reference Data From Materials Project: {formula:BeH8SeO8,spaceGroup:Cmce,id:mp-708961} |
| RD_634178855747_000 | computation | Reference Data From Materials Project: {formula:BeGeB,spaceGroup:F-43m,id:mp-631541} |
| RD_634819243082_000 | computation | Reference Data From Materials Project: {formula:BeH8SO8,spaceGroup:I-4c2,id:mp-23996} |
| RD_635967307375_000 | computation | Reference Data From Materials Project: {formula:BeSiOs2,spaceGroup:Fm-3m,id:mp-867107} |
| RD_636189962596_000 | computation | Reference Data From Materials Project: {formula:TiBe2Ir,spaceGroup:Fm-3m,id:mp-866139} |
| RD_636951920047_000 | computation | Reference Data From Materials Project: {formula:LiBeSb,spaceGroup:P6_3mc,id:mp-9575} |
| RD_637324331718_000 | computation | Reference Data From Materials Project: {formula:Be2C,spaceGroup:Fm-3m,id:mp-1569} |
| RD_640290289764_000 | computation | Reference Data From Materials Project: {formula:Cs2Ca2Be3F12,spaceGroup:P2_13,id:mp-562057} |
| RD_642227789112_000 | computation | Reference Data From Materials Project: {formula:MnBe2Rh,spaceGroup:Fm-3m,id:mp-864945} |
| RD_642918556347_000 | computation | Reference Data From Materials Project: {formula:BeBiOs2,spaceGroup:F-43m,id:mp-631507} |
| RD_643517978441_000 | computation | Reference Data From Materials Project: {formula:MnBe2,spaceGroup:P6_3/mmc,id:mp-11270} |
| RD_645712025186_000 | computation | Reference Data From Materials Project: {formula:Be2ReCl,spaceGroup:F-43m,id:mp-631496} |
| RD_647194160909_000 | computation | Reference Data From Materials Project: {formula:BeF2,spaceGroup:P3_121,id:mp-15951} |
| RD_648216041340_000 | computation | Reference Data From Materials Project: {formula:LiBeAs,spaceGroup:P4/nmm,id:mp-9562} |
| RD_649176862945_000 | computation | Reference Data From Materials Project: {formula:BeSiOs2,spaceGroup:Fm-3m,id:mp-867107} |
| RD_650027937670_000 | computation | Reference Data From Materials Project: {formula:BeGeRu2,spaceGroup:Fm-3m,id:mp-862713} |
| RD_652203142622_000 | computation | Reference Data From Materials Project: {formula:BaNd2BeO5,spaceGroup:P2_1/c,id:mp-17836} |
| RD_655666746267_000 | computation | Reference Data From Materials Project: {formula:Ti2Be17,spaceGroup:R-3m,id:mp-12648} |
| RD_656530026165_000 | computation | Reference Data From Materials Project: {formula:Be2C,spaceGroup:Fm-3m,id:mp-1569} |
| RD_658945977175_000 | computation | Reference Data From Materials Project: {formula:Be22W,spaceGroup:Fd-3m,id:mp-30444} |
| RD_659153142661_000 | computation | Reference Data From Materials Project: {formula:BeCl2,spaceGroup:I4_1/acd,id:mp-570974} |
| RD_659185262248_000 | computation | Reference Data From Materials Project: {formula:LiBe2Ir,spaceGroup:Fm-3m,id:mp-862377} |
| RD_663839963873_000 | computation | Reference Data From Materials Project: {formula:Be12Pt,spaceGroup:I4/mmm,id:mp-571622} |
| RD_666841245028_000 | computation | Reference Data From Materials Project: {formula:NaBe4SbO7,spaceGroup:P6_3mc,id:mp-8075} |
| RD_668105128572_000 | computation | Reference Data From Materials Project: {formula:Ca2BeSi2O7,spaceGroup:P-42_1m,id:mp-6208} |
| RD_668233545688_000 | computation | Reference Data From Materials Project: {formula:Be2CuRh,spaceGroup:Fm-3m,id:mp-865308} |
| RD_670225386117_000 | computation | Reference Data From Materials Project: {formula:Mn2BeO4,spaceGroup:Pnma,id:mp-770881} |
| RD_670896227669_000 | computation | Reference Data From Materials Project: {formula:Na2BeH4,spaceGroup:P2_1/m,id:mp-568987} |
| RD_671497747468_000 | computation | Reference Data From Materials Project: {formula:HfBeSi,spaceGroup:P6_3/mmc,id:mp-12571} |
| RD_675068008249_000 | computation | Reference Data From Materials Project: {formula:ScBe5,spaceGroup:P6/mmm,id:mp-11277} |
| RD_675583348792_000 | computation | Reference Data From Materials Project: {formula:Be(H2N)2,spaceGroup:I4_1/acd,id:mp-28018} |
| RD_676180552068_000 | computation | Reference Data From Materials Project: {formula:BeAl2O4,spaceGroup:Pcmn,id:mp-3081} |
| RD_677836342258_000 | computation | Reference Data From Materials Project: {formula:Be2BO3F,spaceGroup:R-3c,id:mp-554023} |
| RD_678470687906_000 | computation | Reference Data From Materials Project: {formula:BeCo,spaceGroup:Pm-3m,id:mp-2773} |
| RD_679065114648_000 | computation | Reference Data From Materials Project: {formula:Be2GeO4,spaceGroup:R-3,id:mp-768285} |
| RD_679528031593_000 | computation | Reference Data From Materials Project: {formula:Be2PdPt,spaceGroup:Fm-3m,id:mp-864961} |
| RD_686204082281_000 | computation | Reference Data From Materials Project: {formula:Li2BeH4,spaceGroup:P1,id:mp-30535} |
| RD_687820392149_000 | computation | Reference Data From Materials Project: {formula:HfBe2Bi,spaceGroup:F-43m,id:mp-631510} |
| RD_691219474424_000 | computation | Reference Data From Materials Project: {formula:BeCo2Si,spaceGroup:Fm-3m,id:mp-865901} |
| RD_697949932294_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_698386033703_000 | computation | Reference Data From Materials Project: {formula:Rb3NaBe2F8,spaceGroup:P-3m1,id:mp-13630} |
| RD_699221261713_000 | computation | Reference Data From Materials Project: {formula:Li4Be3P3BrO12,spaceGroup:P-43n,id:mp-554560} |
| RD_701420172730_000 | computation | Reference Data From Materials Project: {formula:Na4BeAlSi4ClO12,spaceGroup:I-4,id:mp-23151} |
| RD_701698210459_000 | computation | Reference Data From Materials Project: {formula:Be2B,spaceGroup:Fm-3m,id:mp-1432} |
| RD_704282443769_000 | computation | Reference Data From Materials Project: {formula:BeH8(NF2)2,spaceGroup:Pmnb,id:mp-604245} |
| RD_704459037244_000 | computation | Reference Data From Materials Project: {formula:Be(HO)2,spaceGroup:P2_12_12_1,id:mp-625837} |
| RD_706167092605_000 | computation | Reference Data From Materials Project: {formula:ZrBe2,spaceGroup:P6/mmm,id:mp-1252} |
| RD_706585107409_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3SO12,spaceGroup:P-43n,id:mp-17493} |
| RD_706835590031_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_710761746622_000 | computation | Reference Data From Materials Project: {formula:LiBePt2,spaceGroup:Fm-3m,id:mp-862316} |
| RD_712065809711_000 | computation | Reference Data From Materials Project: {formula:Be3Ru,spaceGroup:I4/mmm,id:mp-865562} |
| RD_714146580997_000 | computation | Reference Data From Materials Project: {formula:BeGe2Te,spaceGroup:F-43m,id:mp-631450} |
| RD_716121060584_000 | computation | Reference Data From Materials Project: {formula:Rb2Be3Cd2F12,spaceGroup:P2_13,id:mp-13614} |
| RD_718162217447_000 | computation | Reference Data From Materials Project: {formula:Na2Be(SiO3)2,spaceGroup:Fddd,id:mp-560438} |
| RD_721510806724_000 | computation | Reference Data From Materials Project: {formula:Be2Ag,spaceGroup:Fd-3m,id:mp-603} |
| RD_723663785933_000 | computation | Reference Data From Materials Project: {formula:KBe(PO3)3,spaceGroup:P2_12_12_1,id:mp-560431} |
| RD_726938773946_000 | computation | Reference Data From Materials Project: {formula:Be5Pd,spaceGroup:F-43m,id:mp-650} |
| RD_729093735468_000 | computation | Reference Data From Materials Project: {formula:TiBeCo2,spaceGroup:Fm-3m,id:mp-866152} |
| RD_729389253269_000 | computation | Reference Data From Materials Project: {formula:BeO,spaceGroup:P6_3mc,id:mp-2542} |
| RD_732638099824_000 | computation | Reference Data From Materials Project: {formula:BeFeRh2,spaceGroup:Fm-3m,id:mp-867840} |
| RD_734107836446_000 | computation | Reference Data From Materials Project: {formula:DyBe13,spaceGroup:Fm-3c,id:mp-31189} |
| RD_735977670180_000 | computation | Reference Data From Materials Project: {formula:La2Be2GeO7,spaceGroup:P-42_1m,id:mp-19926} |
| RD_736651069613_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_738812973661_000 | computation | Reference Data From Materials Project: {formula:BeTe,spaceGroup:F-43m,id:mp-252} |
| RD_741116635339_000 | computation | Reference Data From Materials Project: {formula:BeP2(HO)4,spaceGroup:P4_12_12,id:mp-695815} |
| RD_741138965643_000 | computation | Reference Data From Materials Project: {formula:TiBeCo2,spaceGroup:Fm-3m,id:mp-866152} |
| RD_741259572138_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_743627517446_000 | computation | Reference Data From Materials Project: {formula:Be2Cr,spaceGroup:P6_3/mmc,id:mp-30438} |
| RD_743777953140_000 | computation | Reference Data From Materials Project: {formula:Rb2Be4Pt3,spaceGroup:Fmmm,id:mp-795639} |
| RD_745085203213_000 | computation | Reference Data From Materials Project: {formula:CsBe4Al4(B3O7)4,spaceGroup:P-43m,id:mp-540725} |
| RD_745777312628_000 | computation | Reference Data From Materials Project: {formula:TiBeCo2,spaceGroup:Fm-3m,id:mp-866152} |
| RD_751866363457_000 | computation | Reference Data From Materials Project: {formula:HfBe2Bi,spaceGroup:F-43m,id:mp-631510} |
| RD_752148254190_000 | computation | Reference Data From Materials Project: {formula:TaBeRu2,spaceGroup:Fm-3m,id:mp-867114} |
| RD_754429892044_000 | computation | Reference Data From Materials Project: {formula:BeAu,spaceGroup:P2_13,id:mp-30365} |
| RD_754664709958_000 | computation | Reference Data From Materials Project: {formula:Na2BeF4,spaceGroup:P2_1/c,id:mp-3855} |
| RD_758089751660_000 | computation | Reference Data From Materials Project: {formula:NaBe2BO3F2,spaceGroup:C2,id:mp-556865} |
| RD_758656429296_000 | computation | Reference Data From Materials Project: {formula:BeCl2,spaceGroup:P3_221,id:mp-569030} |
| RD_761515687135_000 | computation | Reference Data From Materials Project: {formula:U4Be2C5,spaceGroup:C2/m,id:mp-676180} |
| RD_764083681891_000 | computation | Reference Data From Materials Project: {formula:CaMn2Be3(SiO4)3,spaceGroup:P2_1/c,id:mp-19548} |
| RD_768344873779_000 | computation | BeO in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_770831703291_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_771903207899_000 | computation | Reference Data From Materials Project: {formula:K4Be3O5,spaceGroup:C2/c,id:mp-28158} |
| RD_773022698770_000 | computation | Reference Data From Materials Project: {formula:Rb2BeH4(SO5)2,spaceGroup:P2_1/c,id:mp-542884} |
| RD_775050848712_000 | computation | Reference Data From Materials Project: {formula:Be2As(HO)9,spaceGroup:P2_1/c,id:mp-720433} |
| RD_776334106930_000 | computation | Reference Data From Materials Project: {formula:BeO,spaceGroup:P6_3mc,id:mp-2542} |
| RD_780225429387_000 | computation | Reference Data From Materials Project: {formula:Be2IrPd,spaceGroup:Fm-3m,id:mp-865003} |
| RD_780685883377_000 | computation | Reference Data From Materials Project: {formula:BeInSi2,spaceGroup:F-43m,id:mp-631467} |
| RD_781250603938_000 | computation | Reference Data From Materials Project: {formula:Be3P2,spaceGroup:I4_1/acd,id:mp-29629} |
| RD_783440794297_000 | computation | Reference Data From Materials Project: {formula:Be(N3O7)2,spaceGroup:F2dd,id:mp-30141} |
| RD_785633714164_000 | computation | Reference Data From Materials Project: {formula:Be(PO3)2,spaceGroup:P2_1/c,id:mp-27588} |
| RD_787593912401_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_787991910036_000 | computation | Reference Data From Materials Project: {formula:KBe3ZnF9,spaceGroup:P-6c2,id:mp-18509} |
| RD_788633165530_000 | computation | Reference Data From Materials Project: {formula:BaLa2BeO5,spaceGroup:P2_1/c,id:mp-18414} |
| RD_789899350803_000 | computation | Reference Data From Materials Project: {formula:Mg3BeAl8O16,spaceGroup:P6_3mc,id:mp-17313} |
| RD_790045803036_000 | computation | Reference Data From Materials Project: {formula:ZrBeSi,spaceGroup:P6_3/mmc,id:mp-10200} |
| RD_790053240428_000 | computation | Reference Data From Materials Project: {formula:CaBe3O4,spaceGroup:P-62c,id:mp-754739} |
| RD_790191527313_000 | computation | Reference Data From Materials Project: {formula:Li2Ca3Be3Si3(O6F)2,spaceGroup:I2_13,id:mp-560036} |
| RD_791495553606_000 | computation | Reference Data From Materials Project: {formula:NaBeSb,spaceGroup:P6_3/mmc,id:mp-9574} |
| RD_791671849965_000 | computation | Reference Data From Materials Project: {formula:BeO,spaceGroup:Fm-3m,id:mp-1794} |
| RD_798496295879_000 | computation | Reference Data From Materials Project: {formula:Be2C,spaceGroup:Fm-3m,id:mp-1569} |
| RD_799327335602_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_799735623924_000 | computation | Reference Data From Materials Project: {formula:Sc2BeRu,spaceGroup:Fm-3m,id:mp-862553} |
| RD_802884508133_000 | computation | Reference Data From Materials Project: {formula:Be(B3H7)2,spaceGroup:P2_1/c,id:mp-27748} |
| RD_804873899202_000 | computation | Reference Data From Materials Project: {formula:LiBePt2,spaceGroup:Fm-3m,id:mp-862316} |
| RD_805226722453_000 | computation | Reference Data From Materials Project: {formula:Be4N6O19,spaceGroup:P3,id:mp-30142} |
| RD_807187439312_000 | computation | Reference Data From Materials Project: {formula:ScBe5,spaceGroup:P6/mmm,id:mp-11277} |
| RD_807761728570_000 | computation | Reference Data From Materials Project: {formula:BeSiOs2,spaceGroup:Fm-3m,id:mp-867107} |
| RD_808604347349_000 | computation | Reference Data From Materials Project: {formula:Be12Au,spaceGroup:I4/mmm,id:mp-12664} |
| RD_809825064584_000 | computation | Reference Data From Materials Project: {formula:BeCl2,spaceGroup:Imcb,id:mp-23267} |
| RD_810056644802_000 | computation | Reference Data From Materials Project: {formula:Be(BH4)2,spaceGroup:I4_1cd,id:mp-27344} |
| RD_814285571614_000 | computation | Reference Data From Materials Project: {formula:BaBe13,spaceGroup:Fm-3c,id:mp-30425} |
| RD_814395712506_000 | computation | Reference Data From Materials Project: {formula:CsBe2BO3F2,spaceGroup:R32,id:mp-553342} |
| RD_817280083358_000 | computation | Reference Data From Materials Project: {formula:BeTe,spaceGroup:F-43m,id:mp-252} |
| RD_818462811090_000 | computation | Reference Data From Materials Project: {formula:BeNbRu2,spaceGroup:Fm-3m,id:mp-867828} |
| RD_823622664016_000 | computation | Reference Data From Materials Project: {formula:Be3Ir,spaceGroup:I4/mmm,id:mp-862714} |
| RD_823645162718_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_824287865909_000 | computation | Reference Data From Materials Project: {formula:Be5Au,spaceGroup:F-43m,id:mp-1220} |
| RD_825824861648_000 | computation | Reference Data From Materials Project: {formula:TiBe12,spaceGroup:P6/mmm,id:mp-11280} |
| RD_826943601075_000 | computation | Reference Data From Materials Project: {formula:Sr2Be2B2O7,spaceGroup:P-6c2,id:mp-556498} |
| RD_827152451779_000 | computation | Reference Data From Materials Project: {formula:BeW2Cl,spaceGroup:Fm-3m,id:mp-631535} |
| RD_827455085824_000 | computation | Reference Data From Materials Project: {formula:BeH8(ClO2)2,spaceGroup:P2_1/c,id:mp-23776} |
| RD_828655054367_000 | computation | Reference Data From Materials Project: {formula:Rb2Be2O3,spaceGroup:P4_32_12,id:mp-771976} |
| RD_830319734658_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_830394017338_000 | computation | Reference Data From Materials Project: {formula:Be3Al2(SiO3)6,spaceGroup:P6/mcc,id:mp-6030} |
| RD_830496023551_000 | computation | Reference Data From Materials Project: {formula:Be2B,spaceGroup:Fm-3m,id:mp-1432} |
| RD_832820311963_000 | computation | Reference Data From Materials Project: {formula:Be2NiRh,spaceGroup:Fm-3m,id:mp-864895} |
| RD_833351337268_000 | computation | Reference Data From Materials Project: {formula:Na2BeB2O5,spaceGroup:C2/c,id:mp-16737} |
| RD_833672890432_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_835875480846_000 | computation | Reference Data From Materials Project: {formula:BeSiNi2,spaceGroup:Fm-3m,id:mp-865792} |
| RD_838450581185_000 | computation | Reference Data From Materials Project: {formula:BePH3O5,spaceGroup:Pna2_1,id:mp-697592} |
| RD_840000584189_000 | computation | Reference Data From Materials Project: {formula:BeRh,spaceGroup:Pm-3m,id:mp-11276} |
| RD_843089549980_000 | computation | Reference Data From Materials Project: {formula:Na2BeO2,spaceGroup:P2_1/c,id:mp-28588} |
| RD_843330737890_000 | computation | Reference Data From Materials Project: {formula:CaBe13,spaceGroup:Fm-3c,id:mp-1845} |
| RD_843676499574_000 | computation | Reference Data From Materials Project: {formula:BeSbAs2,spaceGroup:Fm-3m,id:mp-631578} |
| RD_845781241439_000 | computation | Reference Data From Materials Project: {formula:Be2BHO4,spaceGroup:Pbca,id:mp-23883} |
| RD_848230234418_000 | computation | Reference Data From Materials Project: {formula:Be2CoPt,spaceGroup:Fm-3m,id:mp-867270} |
| RD_848330429216_000 | computation | Reference Data From Materials Project: {formula:BeO,spaceGroup:F-43m,id:mp-1778} |
| RD_850879046268_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Be, hcp Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-87) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_855634328689_000 | computation | Reference Data From Materials Project: {formula:Na2BeGeO4,spaceGroup:P2_1/c,id:mp-18197} |
| RD_855726017382_000 | computation | Reference Data From Materials Project: {formula:Be(GaO2)2,spaceGroup:P2_1,id:mp-676950} |
| RD_856411286908_000 | computation | Reference Data From Materials Project: {formula:Mn4Be3Ge3SO12,spaceGroup:P-43n,id:mp-25772} |
| RD_856950213800_000 | computation | Reference Data From Materials Project: {formula:ZrBeCd,spaceGroup:F-43m,id:mp-631509} |
| RD_857363015651_000 | computation | Reference Data From Materials Project: {formula:Er2Be2GeO7,spaceGroup:P-42_1m,id:mp-14420} |
| RD_859833653831_000 | computation | Reference Data From Materials Project: {formula:TiBe,spaceGroup:Pm-3m,id:mp-11279} |
| RD_863138461026_000 | computation | Reference Data From Materials Project: {formula:Be12V,spaceGroup:I4/mmm,id:mp-571438} |
| RD_863635264056_000 | computation | Reference Data From Materials Project: {formula:K2BeO2,spaceGroup:P2_1/c,id:mp-27915} |
| RD_863672163832_000 | computation | Reference Data From Materials Project: {formula:BeAlIr2,spaceGroup:Fm-3m,id:mp-865966} |
| RD_864387070663_000 | computation | Reference Data From Materials Project: {formula:YScBe,spaceGroup:F-43m,id:mp-631471} |
| RD_868930708006_000 | computation | Reference Data From Materials Project: {formula:Ho2Be2SiO7,spaceGroup:P-42_1m,id:mp-7013} |
| RD_873420737502_000 | computation | Reference Data From Materials Project: {formula:Ta6Be15Cu8,spaceGroup:Fm-3m,id:mp-30439} |
| RD_873512963894_000 | computation | Reference Data From Materials Project: {formula:KHoBeF6,spaceGroup:P2_1/m,id:mp-558826} |
| RD_873646888923_000 | computation | Reference Data From Materials Project: {formula:Ba(BeN)2,spaceGroup:I4/mcm,id:mp-12927} |
| RD_875325493942_000 | computation | Reference Data From Materials Project: {formula:YbBeF4,spaceGroup:P1,id:mp-657176} |
| RD_876228532824_000 | computation | Reference Data From Materials Project: {formula:K2Mn2Be3F12,spaceGroup:P2_1,id:mp-699937} |
| RD_878320762951_000 | computation | Reference Data From Materials Project: {formula:Be2NiPt,spaceGroup:Fm-3m,id:mp-866224} |
| RD_878517999538_000 | computation | Reference Data From Materials Project: {formula:YbBeF4,spaceGroup:P-1,id:mp-624483} |
| RD_878705282915_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_878743339132_000 | computation | Reference Data From Materials Project: {formula:Be2Cu,spaceGroup:Fd-3m,id:mp-2031} |
| RD_881424910344_000 | computation | Reference Data From Materials Project: {formula:HfBe2,spaceGroup:P6/mmm,id:mp-2553} |
| RD_882699879006_000 | computation | Reference Data From Materials Project: {formula:RbLi2Be2F7,spaceGroup:P2_1/c,id:mp-560518} |
| RD_882713427505_000 | computation | Reference Data From Materials Project: {formula:Mg(BeAs)2,spaceGroup:P-3m1,id:mp-865185} |
| RD_883037745488_000 | computation | Reference Data From Materials Project: {formula:HfBe5,spaceGroup:P6/mmm,id:mp-2025} |
| RD_884806977654_000 | computation | Reference Data From Materials Project: {formula:LiBeH3,spaceGroup:P-1,id:mp-24818} |
| RD_888741055099_000 | computation | Reference Data From Materials Project: {formula:Na2BeSiO4,spaceGroup:Pbc2_1,id:mp-560829} |
| RD_893348729075_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_895135160048_000 | computation | Reference Data From Materials Project: {formula:BeS,spaceGroup:F-43m,id:mp-422} |
| RD_896146763439_000 | computation | Reference Data From Materials Project: {formula:BeAu2,spaceGroup:I4/mmm,id:mp-12761} |
| RD_897220941825_000 | computation | Reference Data From Materials Project: {formula:BaBeGa,spaceGroup:F-43m,id:mp-631517} |
| RD_898681046032_000 | computation | Reference Data From Materials Project: {formula:RbBe3ZnF9,spaceGroup:P-6c2,id:mp-17229} |
| RD_899994089778_000 | computation | Reference Data From Materials Project: {formula:TiBeIr2,spaceGroup:Fm-3m,id:mp-866154} |
| RD_900454015111_000 | computation | Reference Data From Materials Project: {formula:Li3BePCO7,spaceGroup:P2_1,id:mp-771341} |
| RD_900989437653_000 | computation | Reference Data From Materials Project: {formula:TiBe2,spaceGroup:Fd-3m,id:mp-2749} |
| RD_902277401499_000 | computation | Reference Data From Materials Project: {formula:TiBeIr2,spaceGroup:Fm-3m,id:mp-866154} |
| RD_904794904670_000 | computation | Reference Data From Materials Project: {formula:LiBe2Ir,spaceGroup:Fm-3m,id:mp-862377} |
| RD_905525584899_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_905995772583_000 | computation | Reference Data From Materials Project: {formula:BeH4NF3,spaceGroup:P2_12_12_1,id:mp-723049} |
| RD_906316194720_000 | computation | Reference Data From Materials Project: {formula:Mg3BeAl8O16,spaceGroup:P6_3mc,id:mp-17313} |
| RD_909052627334_000 | computation | BeO in AFLOW crystal prototype AB_tP8_136_f_g (betaBeO). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_909483891583_000 | computation | Reference Data From Materials Project: {formula:Be2CoNi,spaceGroup:Fm-3m,id:mp-867271} |
| RD_910403180642_000 | computation | Reference Data From Materials Project: {formula:Be2CoPt,spaceGroup:Fm-3m,id:mp-867270} |
| RD_911362802133_000 | computation | Reference Data From Materials Project: {formula:MgBeAl4O8,spaceGroup:P6_3mc,id:mp-554364} |
| RD_912217282887_000 | computation | Reference Data From Materials Project: {formula:BePbF4,spaceGroup:Pmcn,id:mp-672214} |
| RD_912381360316_000 | computation | Reference Data From Materials Project: {formula:TaBe2,spaceGroup:Fd-3m,id:mp-2676} |
| RD_913588878862_000 | computation | Reference Data From Materials Project: {formula:Be3N2,spaceGroup:P6_3/mmc,id:mp-6977} |
| RD_917349320334_000 | computation | Reference Data From Materials Project: {formula:Be2Fe,spaceGroup:P6_3/mmc,id:mp-2225} |
| RD_924417235047_000 | computation | Reference Data From Materials Project: {formula:BeF2,spaceGroup:P2_1,id:mp-685168} |
| RD_925404821036_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_926029842606_000 | computation | Reference Data From Materials Project: {formula:NaBe4SbO7,spaceGroup:P6_3mc,id:mp-8075} |
| RD_926507954573_000 | computation | Reference Data From Materials Project: {formula:LiBeSb,spaceGroup:P6_3mc,id:mp-9575} |
| RD_928327762680_000 | computation | Reference Data From Materials Project: {formula:Be4B,spaceGroup:P4/nmm,id:mp-27757} |
| RD_928911909177_000 | computation | Reference Data From Materials Project: {formula:BeRh,spaceGroup:Pm-3m,id:mp-11276} |
| RD_929559392331_000 | computation | Reference Data From Materials Project: {formula:Be12Mo,spaceGroup:I4/mmm,id:mp-1475} |
| RD_930208556853_000 | computation | Reference Data From Materials Project: {formula:Be3Fe4Si3TeO12,spaceGroup:P-43n,id:mp-704630} |
| RD_931509612221_000 | computation | Reference Data From Materials Project: {formula:BaBePO4F,spaceGroup:Cc,id:mp-754604} |
| RD_931686501249_000 | computation | Reference Data From Materials Project: {formula:TaBe2,spaceGroup:Fd-3m,id:mp-2676} |
| RD_932233428120_000 | computation | Reference Data From Materials Project: {formula:RbBe4(BO3)3,spaceGroup:Pbnm,id:mp-556393} |
| RD_934882654384_000 | computation | Reference Data From Materials Project: {formula:Na2LiBe2F7,spaceGroup:P-42_1m,id:mp-12240} |
| RD_935755003133_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_935770521902_000 | computation | Reference Data From Materials Project: {formula:Be3Zn4Si3SO12,spaceGroup:P-43n,id:mp-6856} |
| RD_937536622226_000 | computation | Reference Data From Materials Project: {formula:LiBePt2,spaceGroup:Fm-3m,id:mp-862316} |
| RD_937700669786_000 | computation | Reference Data From Materials Project: {formula:YScBe,spaceGroup:F-43m,id:mp-631471} |
| RD_938074081370_000 | computation | Reference Data From Materials Project: {formula:BeAlRh2,spaceGroup:Fm-3m,id:mp-862287} |
| RD_940916625502_000 | computation | Reference Data From Materials Project: {formula:Be17Ru3,spaceGroup:Im3,id:mp-30443} |
| RD_942149451842_000 | computation | Reference Data From Materials Project: {formula:CaHfBe,spaceGroup:F-43m,id:mp-631479} |
| RD_942273685714_000 | computation | Reference Data From Materials Project: {formula:BeSiRu2,spaceGroup:Fm-3m,id:mp-867835} |
| RD_947024531588_000 | computation | Reference Data From Materials Project: {formula:BeF2,spaceGroup:I-43m,id:mp-561543} |
| RD_948054091655_000 | computation | Reference Data From Materials Project: {formula:Be2SiO4,spaceGroup:R-3,id:mp-3347} |
| RD_949265121205_000 | computation | Reference Data From Materials Project: {formula:Be3N2,spaceGroup:Ia3,id:mp-18337} |
| RD_951165935553_000 | computation | Reference Data From Materials Project: {formula:KNaZr2Be(PO4)4,spaceGroup:P1,id:mp-684950} |
| RD_951806796646_000 | computation | Reference Data From Materials Project: {formula:BeP2,spaceGroup:C2/c,id:mp-27148} |
| RD_952725408431_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_955150956085_000 | computation | Reference Data From Materials Project: {formula:CsBe2F5,spaceGroup:P4_132,id:mp-27192} |
| RD_955234838647_000 | computation | Reference Data From Materials Project: {formula:PuBe13,spaceGroup:Fm-3c,id:mp-337} |
| RD_956158793012_000 | computation | Reference Data From Materials Project: {formula:Li3BePCO7,spaceGroup:P2_1/m,id:mp-756768} |
| RD_956245269768_000 | computation | Reference Data From Materials Project: {formula:BeTl2F4,spaceGroup:Pmnb,id:mp-3733} |
| RD_957150484447_000 | computation | Reference Data From Materials Project: {formula:Be13Sb,spaceGroup:Fm-3c,id:mp-13608} |
| RD_960173914972_000 | computation | Reference Data From Materials Project: {formula:K2Mn2Be3F12,spaceGroup:P2_13,id:mp-557613} |
| RD_961694078083_000 | computation | Reference Data From Materials Project: {formula:ZrBe2,spaceGroup:P6/mmm,id:mp-1252} |
| RD_962447425726_000 | computation | Reference Data From Materials Project: {formula:BeVOs2,spaceGroup:Fm-3m,id:mp-867275} |
| RD_962978243826_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_963955612898_000 | computation | Reference Data From Materials Project: {formula:Be2CuPt,spaceGroup:Fm-3m,id:mp-865869} |
| RD_964841462731_000 | computation | Reference Data From Materials Project: {formula:Na3BeAl(SiO4)2,spaceGroup:P2_12_12,id:mp-556258} |
| RD_965245680080_000 | computation | Reference Data From Materials Project: {formula:Ca3Be2Si3(HO6)2,spaceGroup:P4_2/n,id:mp-699464} |
| RD_965766244072_000 | computation | Reference Data From Materials Project: {formula:Be4TeO7,spaceGroup:F-43m,id:mp-27608} |
| RD_965933276723_000 | computation | Reference Data From Materials Project: {formula:LiBeH3,spaceGroup:Pbnm,id:mp-24342} |
| RD_966099869440_000 | computation | Reference Data From Materials Project: {formula:Be2W,spaceGroup:P6_3/mmc,id:mp-11282} |
| RD_966291323228_000 | computation | BeO in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_967035214704_000 | computation | Reference Data From Materials Project: {formula:CeBeSiHO5,spaceGroup:P2_1/c,id:mp-686671} |
| RD_969376092024_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3SeO12,spaceGroup:P-43n,id:mp-16793} |
| RD_969562612686_000 | computation | Reference Data From Materials Project: {formula:TaBe2,spaceGroup:Fd-3m,id:mp-2676} |
| RD_971501774760_000 | computation | Reference Data From Materials Project: {formula:Be3Rh,spaceGroup:P6_3/mmc,id:mp-864894} |
| RD_972026678790_000 | computation | Reference Data From Materials Project: {formula:CaBePO4F,spaceGroup:P2_1/c,id:mp-6899} |
| RD_972758533207_000 | computation | Reference Data From Materials Project: {formula:Be2PdPt,spaceGroup:Fm-3m,id:mp-864961} |
| RD_973235891616_000 | computation | Reference Data From Materials Project: {formula:BeGeRu2,spaceGroup:Fm-3m,id:mp-862713} |
| RD_974353817523_000 | computation | Reference Data From Materials Project: {formula:K2Be(CO2)4,spaceGroup:Pcmn,id:mp-557246} |
| RD_974490590852_000 | computation | Reference Data From Materials Project: {formula:Na2Be(GeO3)2,spaceGroup:Fdd2,id:mp-554828} |
| RD_977844631389_000 | computation | Reference Data From Materials Project: {formula:BeAlRh2,spaceGroup:Fm-3m,id:mp-862287} |
| RD_978462404248_000 | computation | Reference Data From Materials Project: {formula:Li2BeF4,spaceGroup:R-3,id:mp-4622} |
| RD_978488628459_000 | computation | Reference Data From Materials Project: {formula:Be,spaceGroup:P6_3/mmc,id:mp-87} |
| RD_979108231128_000 | computation | Reference Data From Materials Project: {formula:Be(BC)2,spaceGroup:Pnmm,id:mp-569299} |
| RD_982074346481_000 | computation | Reference Data From Materials Project: {formula:BeRh,spaceGroup:Pm-3m,id:mp-11276} |
| RD_982354464226_000 | computation | Reference Data From Materials Project: {formula:RbBe2P3O10,spaceGroup:C2/c,id:mp-557673} |
| RD_985452644724_000 | computation | Reference Data From Materials Project: {formula:Mn4Be3Si3TeO12,spaceGroup:P-43n,id:mp-25022} |
| RD_985665300678_000 | computation | Reference Data From Materials Project: {formula:NaBeH3,spaceGroup:Pm-3m,id:mp-23729} |
| RD_985909192668_000 | computation | Reference Data From Materials Project: {formula:Be2RuPt,spaceGroup:Fm-3m,id:mp-865021} |
| RD_988860421701_000 | computation | Reference Data From Materials Project: {formula:BeSe,spaceGroup:Fm-3m,id:mp-11335} |
| RD_988978025580_000 | computation | Reference Data From Materials Project: {formula:K3BePCO7,spaceGroup:P2_1/m,id:mp-772780} |
| RD_992124483943_000 | computation | Reference Data From Materials Project: {formula:Mn4Be3Si3SeO12,spaceGroup:P-43n,id:mp-25024} |
| RD_994800312618_000 | computation | Reference Data From Materials Project: {formula:RbBe3ZnF9,spaceGroup:P-6c2,id:mp-17229} |
| RD_995862614430_000 | computation | Reference Data From Materials Project: {formula:LiBeH8CNOF4,spaceGroup:P2_1/c,id:mp-560581} |
| RD_996136938822_000 | computation | Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| Reference Data | Data Method | Description |
|---|---|---|
| RD_001166035520_000 | computation | Reference Data From Materials Project: {formula:Bi2TeSe2,spaceGroup:R-3m,id:mp-31406} |
| RD_002410507916_000 | computation | Reference Data From Materials Project: {formula:Li6Bi3P8O29,spaceGroup:Cc,id:mp-26327} |
| RD_002414859751_000 | computation | Bi in AFLOW crystal prototype A_hR2_166_c (alpha-As). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_002630382163_000 | computation | Reference Data From Materials Project: {formula:CeBi,spaceGroup:P4/mmm,id:mp-635471} |
| RD_002829852185_000 | computation | Reference Data From Materials Project: {formula:Bi2SeO2,spaceGroup:I4/mmm,id:mp-552098} |
| RD_003264330660_000 | computation | Reference Data From Materials Project: {formula:CeBi,spaceGroup:Fm-3m,id:mp-23285} |
| RD_004630641199_000 | computation | Reference Data From Materials Project: {formula:Cu(BiO2)2,spaceGroup:P4/ncc,id:mp-505042} |
| RD_004935788934_000 | computation | Reference Data From Materials Project: {formula:Co(BiO3)2,spaceGroup:P4_2/mnm,id:mp-769756} |
| RD_005022550115_000 | computation | Reference Data From Materials Project: {formula:Na2SiBiCO7,spaceGroup:P2_1/m,id:mp-771168} |
| RD_005236924874_000 | computation | Reference Data From Materials Project: {formula:LiBi6B3O14,spaceGroup:P2_1/c,id:mp-778009} |
| RD_005557514720_000 | computation | Reference Data From Materials Project: {formula:Si(Bi3O5)4,spaceGroup:I23,id:mp-23492} |
| RD_005614731190_000 | computation | Reference Data From Materials Project: {formula:LiBi2(SO4)3,spaceGroup:R-3c,id:mp-759534} |
| RD_005726908828_000 | computation | Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:P2_1/c,id:mp-768736} |
| RD_007062542662_000 | computation | Reference Data From Materials Project: {formula:Ba2BiRuO6,spaceGroup:P6_3/mmc,id:mp-561147} |
| RD_007380242016_000 | computation | Reference Data From Materials Project: {formula:Cr2AgBiO8,spaceGroup:I-4,id:mp-565669} |
| RD_007969655156_000 | computation | Reference Data From Materials Project: {formula:RbK2BiSe3,spaceGroup:P2_13,id:mp-621964} |
| RD_008536820430_000 | computation | Reference Data From Materials Project: {formula:Na3Bi,spaceGroup:P6_3/mmc,id:mp-27838} |
| RD_009112219965_000 | computation | Reference Data From Materials Project: {formula:Ti2Bi2O7,spaceGroup:Fd-3m,id:mp-559482} |
| RD_009649419248_000 | computation | Reference Data From Materials Project: {formula:YBi,spaceGroup:Fm-3m,id:mp-23241} |
| RD_009675615217_000 | computation | Reference Data From Materials Project: {formula:KBiF4,spaceGroup:Fd-3m,id:mp-581857} |
| RD_010836980992_000 | computation | Reference Data From Materials Project: {formula:Li3Bi(PO4)2,spaceGroup:C2/m,id:mp-760655} |
| RD_011320766307_000 | computation | Reference Data From Materials Project: {formula:LiBi(PO3)4,spaceGroup:P2_1/c,id:mp-673023} |
| RD_013087067604_000 | computation | Reference Data From Materials Project: {formula:Hf2BiB,spaceGroup:F-43m,id:mp-631558} |
| RD_013748183625_000 | computation | Bi in AFLOW crystal prototype A_tI2_139_a (alpha-Pa). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_014198822026_000 | computation | Reference Data From Materials Project: {formula:LiBiP2O7,spaceGroup:P2_1/c,id:mp-757559} |
| RD_014224677905_000 | computation | Reference Data From Materials Project: {formula:Bi,spaceGroup:Pm-3m,id:mp-567597} |
| RD_014752926574_000 | computation | Reference Data From Materials Project: {formula:BiRh,spaceGroup:P6_3/mmc,id:mp-22868} |
| RD_014920137121_000 | computation | Reference Data From Materials Project: {formula:Bi(PO3)4,spaceGroup:C222_1,id:mp-25906} |
| RD_015506642635_000 | computation | Reference Data From Materials Project: {formula:Na5Bi2As(CO4)4,spaceGroup:Fd2d,id:mp-776697} |
| RD_015666667006_000 | computation | Reference Data From Materials Project: {formula:Bi4Te7Pb,spaceGroup:P-3m1,id:mp-23005} |
| RD_015825220918_000 | computation | Reference Data From Materials Project: {formula:Bi6As9Se4S10(O4F13)5,spaceGroup:P-1,id:mp-556278} |
| RD_016008750094_000 | computation | Reference Data From Materials Project: {formula:Na6Bi2B4SO16,spaceGroup:Fd3,id:mp-779289} |
| RD_016165530212_000 | computation | Reference Data From Materials Project: {formula:DyNiBi,spaceGroup:F-43m,id:mp-30452} |
| RD_016224714636_000 | computation | Reference Data From Materials Project: {formula:Ba2DyBiO6,spaceGroup:Fm-3m,id:mp-545659} |
| RD_016660070274_000 | computation | Reference Data From Materials Project: {formula:Ag25(BiO6)3,spaceGroup:P-3,id:mp-28729} |
| RD_018679478304_000 | computation | Reference Data From Materials Project: {formula:Si3Bi2O9,spaceGroup:P6_3/m,id:mp-558672} |
| RD_018707938172_000 | computation | Reference Data From Materials Project: {formula:CdGe(BiO3)2,spaceGroup:Pnab,id:mp-555027} |
| RD_019774079668_000 | computation | Reference Data From Materials Project: {formula:Ba14MnBi11,spaceGroup:I4_1/acd,id:mp-567518} |
| RD_019915381191_000 | computation | Reference Data From Materials Project: {formula:ErBi2BrO4,spaceGroup:P4/mmm,id:mp-546621} |
| RD_020249469837_000 | computation | Reference Data From Materials Project: {formula:Ga3Bi5Cl12,spaceGroup:R3c,id:mp-569854} |
| RD_020848512152_000 | computation | Reference Data From Materials Project: {formula:Li3Bi(BO3)2,spaceGroup:P-1,id:mp-777851} |
| RD_021308449723_000 | computation | Reference Data From Materials Project: {formula:KBi2,spaceGroup:Fd-3m,id:mp-23279} |
| RD_021617697766_000 | computation | Reference Data From Materials Project: {formula:ZrBi,spaceGroup:Cmcm,id:mp-30933} |
| RD_021642785178_000 | computation | Reference Data From Materials Project: {formula:CsBi3Se5,spaceGroup:Pmcn,id:mp-567928} |
| RD_021838646234_000 | computation | Reference Data From Materials Project: {formula:U2Bi2O7,spaceGroup:Pmmb,id:mp-676230} |
| RD_021970257191_000 | computation | Reference Data From Materials Project: {formula:BiClF8,spaceGroup:P-1,id:mp-28194} |
| RD_022993808662_000 | computation | Reference Data From Materials Project: {formula:BiB2O5,spaceGroup:C2/c,id:mp-768314} |
| RD_023027032914_000 | computation | Reference Data From Materials Project: {formula:CsBi2,spaceGroup:Fd-3m,id:mp-23163} |
| RD_023033575166_000 | computation | Reference Data From Materials Project: {formula:Cs5Bi(MoO4)4,spaceGroup:C2/c,id:mp-644925} |
| RD_023161735475_000 | computation | Reference Data From Materials Project: {formula:Ba3Bi6PbSe13,spaceGroup:P2_1/m,id:mp-669415} |
| RD_023806780316_000 | computation | Reference Data From Materials Project: {formula:Bi19(O9F)3,spaceGroup:P6_3,id:mp-759031} |
| RD_023890391016_000 | computation | Reference Data From Materials Project: {formula:LiBiP2O7,spaceGroup:P2_1/c,id:mp-759673} |
| RD_024431035487_000 | computation | Reference Data From Materials Project: {formula:Dy2Bi2O7,spaceGroup:Fd-3m,id:mp-769189} |
| RD_024517198460_000 | computation | Reference Data From Materials Project: {formula:UBi,spaceGroup:Fm-3m,id:mp-22886} |
| RD_024617270300_000 | computation | Reference Data From Materials Project: {formula:Li3Bi(BO3)2,spaceGroup:P-1,id:mp-768797} |
| RD_024764896677_000 | computation | Reference Data From Materials Project: {formula:Na2TlBi,spaceGroup:Fm-3m,id:mp-864898} |
| RD_025339834642_000 | computation | Reference Data From Materials Project: {formula:Cu3BiSe2ClO8,spaceGroup:Pmnm,id:mp-505104} |
| RD_025554990218_000 | computation | Reference Data From Materials Project: {formula:Bi4(B2O5)3,spaceGroup:C2/c,id:mp-768923} |
| RD_026246216821_000 | computation | Reference Data From Materials Project: {formula:NbBiO4,spaceGroup:Pbnn,id:mp-23413} |
| RD_026687241419_000 | computation | Reference Data From Materials Project: {formula:Mn(Bi5O8)5,spaceGroup:C2,id:mp-763158} |
| RD_027078034230_000 | computation | Reference Data From Materials Project: {formula:ReBi3O8,spaceGroup:P2_13,id:mp-28287} |
| RD_027617320308_000 | computation | Reference Data From Materials Project: {formula:GdBi,spaceGroup:Fm-3m,id:mp-614481} |
| RD_028924666577_000 | computation | Reference Data From Materials Project: {formula:Ba(BiS2)2,spaceGroup:P6_3/m,id:mp-28057} |
| RD_029126880048_000 | computation | Reference Data From Materials Project: {formula:Cu4Bi4S9,spaceGroup:Pmcn,id:mp-559551} |
| RD_030025723415_000 | computation | Reference Data From Materials Project: {formula:Li2Bi(PO4)2,spaceGroup:P3,id:mp-25802} |
| RD_030387250228_000 | computation | Reference Data From Materials Project: {formula:Rb3Bi2I9,spaceGroup:Pc,id:mp-29895} |
| RD_032209322911_000 | computation | Reference Data From Materials Project: {formula:Zr2Bi2O7,spaceGroup:P2_1,id:mp-769650} |
| RD_032673249369_000 | computation | Reference Data From Materials Project: {formula:Th2BiTe,spaceGroup:Fm-3m,id:mp-865224} |
| RD_032847925385_000 | computation | Reference Data From Materials Project: {formula:BiCl3,spaceGroup:Pbnm,id:mp-22908} |
| RD_033547765987_000 | computation | Reference Data From Materials Project: {formula:Bi2TeO2,spaceGroup:Fmm2,id:mp-755419} |
| RD_033776961281_000 | computation | Reference Data From Materials Project: {formula:Cs6Bi4O9,spaceGroup:P-1,id:mp-635020} |
| RD_034121042863_000 | computation | Reference Data From Materials Project: {formula:Bi14Rh3,spaceGroup:Fddd,id:mp-581527} |
| RD_034903522300_000 | computation | Reference Data From Materials Project: {formula:NdBi2BrO4,spaceGroup:P4/mmm,id:mp-553242} |
| RD_035017220356_000 | computation | Reference Data From Materials Project: {formula:LiBi(PdO2)2,spaceGroup:P4/nmm,id:mp-559893} |
| RD_035273797560_000 | computation | Reference Data From Materials Project: {formula:BaBiSe3,spaceGroup:P2_12_12_1,id:mp-27365} |
| RD_035915009583_000 | computation | Reference Data From Materials Project: {formula:TaBi4ClO8,spaceGroup:Pbcn,id:mp-23602} |
| RD_036068261957_000 | computation | Reference Data From Materials Project: {formula:Ta3(BiS3)2,spaceGroup:P6_3/mcm,id:mp-554389} |
| RD_036422468287_000 | computation | Reference Data From Materials Project: {formula:PrBi,spaceGroup:Fm-3m,id:mp-23171} |
| RD_036444496099_000 | computation | Reference Data From Materials Project: {formula:MnBiO3,spaceGroup:C2/c,id:mp-25035} |
| RD_036579151441_000 | computation | Reference Data From Materials Project: {formula:Ta7BiO19,spaceGroup:P6_322,id:mp-867839} |
| RD_037159775100_000 | computation | Reference Data From Materials Project: {formula:AgBiTe2,spaceGroup:P-3m1,id:mp-570549} |
| RD_037169093064_000 | computation | Reference Data From Materials Project: {formula:BiTeBr,spaceGroup:P3m1,id:mp-33723} |
| RD_037295666143_000 | computation | Reference Data From Materials Project: {formula:LiBiS2,spaceGroup:I4_1/amd,id:mp-33526} |
| RD_038370139457_000 | computation | Reference Data From Materials Project: {formula:Tb5BiAu2,spaceGroup:I4/mcm,id:mp-570187} |
| RD_038675177279_000 | computation | Reference Data From Materials Project: {formula:Bi16Ru16O55,spaceGroup:R-3m,id:mp-685341} |
| RD_038820152109_000 | computation | Reference Data From Materials Project: {formula:BiTe,spaceGroup:Fm-3m,id:mp-567362} |
| RD_038975311124_000 | computation | Reference Data From Materials Project: {formula:Rb3BiSe3,spaceGroup:P2_13,id:mp-29168} |
| RD_038980168713_000 | computation | Reference Data From Materials Project: {formula:U3Bi4,spaceGroup:I-43d,id:mp-23196} |
| RD_039791394726_000 | computation | Reference Data From Materials Project: {formula:NpBi,spaceGroup:Fm-3m,id:mp-22912} |
| RD_039947229902_000 | computation | Reference Data From Materials Project: {formula:Si3(BiO3)4,spaceGroup:I-43d,id:mp-23331} |
| RD_040499948436_000 | computation | Reference Data From Materials Project: {formula:Li3BiB4O9,spaceGroup:P2_1/m,id:mp-768715} |
| RD_040917145160_000 | computation | Reference Data From Materials Project: {formula:Ba8Tl2Bi2Pb4O17,spaceGroup:P1,id:mp-677325} |
| RD_043721256581_000 | computation | Reference Data From Materials Project: {formula:Cs2CdBi2S5,spaceGroup:Pmnb,id:mp-559668} |
| RD_044549071478_000 | computation | Reference Data From Materials Project: {formula:Bi4Au2O9,spaceGroup:Pcab,id:mp-559422} |
| RD_045165852717_000 | computation | Bi in AFLOW crystal prototype A_hR2_166_c (alpha-As). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_046040208366_000 | computation | Reference Data From Materials Project: {formula:BiH3Ru3(CO)9,spaceGroup:P-1,id:mp-707319} |
| RD_046612120924_000 | computation | Reference Data From Materials Project: {formula:Dy(Bi3O5)4,spaceGroup:I23,id:mp-849319} |
| RD_046959997610_000 | computation | Reference Data From Materials Project: {formula:Cr2Bi28O47,spaceGroup:P1,id:mp-705619} |
| RD_048056672737_000 | computation | Reference Data From Materials Project: {formula:NdBi,spaceGroup:Fm-3m,id:mp-23300} |
| RD_048751228616_000 | computation | Reference Data From Materials Project: {formula:Ba(MgBi)2,spaceGroup:P-3m1,id:mp-29209} |
| RD_048908288246_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_049123642830_000 | computation | Reference Data From Materials Project: {formula:BiP2O7,spaceGroup:P2_1/c,id:mp-672945} |
| RD_049423347480_000 | computation | Reference Data From Materials Project: {formula:BiAuBr6,spaceGroup:P-1,id:mp-541774} |
| RD_049632908346_000 | computation | Reference Data From Materials Project: {formula:NaBiO2,spaceGroup:C2/c,id:mp-22984} |
| RD_049696239282_000 | computation | Reference Data From Materials Project: {formula:HfBiRh,spaceGroup:F-43m,id:mp-961721} |
| RD_049877150022_000 | computation | Reference Data From Materials Project: {formula:Li4Ni3BiO8,spaceGroup:R-3m,id:mp-769820} |
| RD_050444089597_000 | computation | Reference Data From Materials Project: {formula:BiSb2Os,spaceGroup:Fm-3m,id:mp-631474} |
| RD_050628659272_000 | computation | Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:P2_1/c,id:mp-768795} |
| RD_050848811034_000 | computation | Reference Data From Materials Project: {formula:SrCdBi2,spaceGroup:I4/mmm,id:mp-568501} |
| RD_050921684195_000 | computation | Reference Data From Materials Project: {formula:Ba2Mn2Bi2O,spaceGroup:P6_3/mmc,id:mp-566276} |
| RD_051364096566_000 | computation | Reference Data From Materials Project: {formula:CsSiBiS4,spaceGroup:P2_1/c,id:mp-558426} |
| RD_052730610414_000 | computation | Reference Data From Materials Project: {formula:Cs3BiO3,spaceGroup:P2_13,id:mp-29505} |
| RD_052812797319_000 | computation | Reference Data From Materials Project: {formula:Li8BiO6,spaceGroup:P6_3cm,id:mp-768987} |
| RD_053576565872_000 | computation | Reference Data From Materials Project: {formula:Ti10Bi(Pb3O10)3,spaceGroup:P1,id:mp-677372} |
| RD_054694215609_000 | computation | Reference Data From Materials Project: {formula:Bi7(O2F3)3,spaceGroup:C2me,id:mp-759894} |
| RD_054786125678_000 | computation | Reference Data From Materials Project: {formula:Mn(Bi3O5)4,spaceGroup:I23,id:mp-541432} |
| RD_054975243710_000 | computation | Reference Data From Materials Project: {formula:Li2AgBi,spaceGroup:F-43m,id:mp-569333} |
| RD_055213705752_000 | computation | Reference Data From Materials Project: {formula:Cu4Bi7S12,spaceGroup:C2/m,id:mp-541149} |
| RD_055717236909_000 | computation | Reference Data From Materials Project: {formula:Ba4LiBi3O11,spaceGroup:Cm2m,id:mp-775429} |
| RD_055941759880_000 | computation | Reference Data From Materials Project: {formula:Si2Bi14IrI12,spaceGroup:P4/mcc,id:mp-23615} |
| RD_056579086099_000 | computation | Reference Data From Materials Project: {formula:TaBiO4,spaceGroup:P-1,id:mp-560261} |
| RD_056921791264_000 | computation | Reference Data From Materials Project: {formula:Bi2WO6,spaceGroup:C2/m,id:mp-565893} |
| RD_057563897379_000 | computation | Reference Data From Materials Project: {formula:TmNiBi,spaceGroup:F-43m,id:mp-568269} |
| RD_057777888445_000 | computation | Reference Data From Materials Project: {formula:FeBiO3,spaceGroup:R3,id:mp-601706} |
| RD_058243413408_000 | computation | Reference Data From Materials Project: {formula:Li2BiO3,spaceGroup:C2/c,id:mp-769026} |
| RD_059168608417_000 | computation | Reference Data From Materials Project: {formula:Bi2O3,spaceGroup:I23,id:mp-636934} |
| RD_059341187330_000 | computation | Reference Data From Materials Project: {formula:Bi2Se4Cl7,spaceGroup:P-1,id:mp-505564} |
| RD_059540915858_000 | computation | Reference Data From Materials Project: {formula:Bi2O3,spaceGroup:P1,id:mp-674644} |
| RD_059972087050_000 | computation | Reference Data From Materials Project: {formula:Li2Ni3BiO8,spaceGroup:R-3m,id:mp-769779} |
| RD_060383107125_000 | computation | Reference Data From Materials Project: {formula:SrBiAu,spaceGroup:P6_3/mmc,id:mp-31141} |
| RD_060729529479_000 | computation | Reference Data From Materials Project: {formula:LiBi3(IO2)2,spaceGroup:Cmcm,id:mp-775430} |
| RD_061252318808_000 | computation | Reference Data From Materials Project: {formula:YBi2BrO4,spaceGroup:P4/mmm,id:mp-553243} |
| RD_061432547798_000 | computation | Reference Data From Materials Project: {formula:U2BiN2,spaceGroup:I4/mmm,id:mp-569199} |
| RD_061470680558_000 | computation | Reference Data From Materials Project: {formula:Bi3B5O12,spaceGroup:Pnma,id:mp-23549} |
| RD_061765020398_000 | computation | Reference Data From Materials Project: {formula:Bi2S3,spaceGroup:Pmcn,id:mp-22856} |
| RD_063008408375_000 | computation | Reference Data From Materials Project: {formula:Li3BiO4,spaceGroup:I-43m,id:mp-769004} |
| RD_063849838516_000 | computation | Reference Data From Materials Project: {formula:Bi2Pd,spaceGroup:C2/m,id:mp-568746} |
| RD_063920409985_000 | computation | Reference Data From Materials Project: {formula:LiSiBiO4,spaceGroup:Pc,id:mp-757159} |
| RD_064324323521_000 | computation | Reference Data From Materials Project: {formula:TcBi3O8,spaceGroup:P2_13,id:mp-554435} |
| RD_064408541158_000 | computation | Reference Data From Materials Project: {formula:Na4Bi2C4SO16,spaceGroup:F222,id:mp-768257} |
| RD_064442516463_000 | computation | Reference Data From Materials Project: {formula:BaLaMgBiO6,spaceGroup:F-43m,id:mp-41414} |
| RD_064993481927_000 | computation | Reference Data From Materials Project: {formula:MgNiBi,spaceGroup:F-43m,id:mp-29733} |
| RD_065115452374_000 | computation | Reference Data From Materials Project: {formula:Ba5Bi3O11,spaceGroup:C2mm,id:mp-753124} |
| RD_065135468646_000 | computation | Reference Data From Materials Project: {formula:MgCuBi,spaceGroup:F-43m,id:mp-30449} |
| RD_066418332023_000 | computation | Reference Data From Materials Project: {formula:NaBiF6,spaceGroup:R-3,id:mp-27420} |
| RD_066678335403_000 | computation | Reference Data From Materials Project: {formula:Co3BiO8,spaceGroup:P4_332,id:mp-774284} |
| RD_066711631919_000 | computation | Reference Data From Materials Project: {formula:DyBi,spaceGroup:Fm-3m,id:mp-22907} |
| RD_067128831186_000 | computation | Reference Data From Materials Project: {formula:LiBiP2O7,spaceGroup:C2/c,id:mp-684109} |
| RD_067932000275_000 | computation | Reference Data From Materials Project: {formula:BaCuBi,spaceGroup:P6_3/mmc,id:mp-31145} |
| RD_068431531094_000 | computation | Reference Data From Materials Project: {formula:LiBiP2O7,spaceGroup:P2_1/c,id:mp-759029} |
| RD_069246201019_000 | computation | Reference Data From Materials Project: {formula:NaLi2Bi,spaceGroup:Fm-3m,id:mp-865101} |
| RD_069612899351_000 | computation | Reference Data From Materials Project: {formula:RbBi2,spaceGroup:Fd-3m,id:mp-23253} |
| RD_069622050772_000 | computation | Reference Data From Materials Project: {formula:SrAgBi,spaceGroup:P6_3/mmc,id:mp-31018} |
| RD_070001226608_000 | computation | Reference Data From Materials Project: {formula:CuBi3PbS6,spaceGroup:Pmc2_1,id:mp-542302} |
| RD_070233764326_000 | computation | Reference Data From Materials Project: {formula:TiBiRh,spaceGroup:F-43m,id:mp-961722} |
| RD_070710797721_000 | computation | Reference Data From Materials Project: {formula:Cs2KBiF6,spaceGroup:Fm-3m,id:mp-573204} |
| RD_071738483523_000 | computation | Reference Data From Materials Project: {formula:CaBiAu,spaceGroup:F-43m,id:mp-568398} |
| RD_072102265309_000 | computation | Reference Data From Materials Project: {formula:Ba2NdBiO6,spaceGroup:C2/m,id:mp-546321} |
| RD_072190338751_000 | computation | Reference Data From Materials Project: {formula:SrBiB,spaceGroup:F-43m,id:mp-631552} |
| RD_072525890304_000 | computation | Reference Data From Materials Project: {formula:Li2Bi(PO4)2,spaceGroup:P3,id:mp-25802} |
| RD_072700550911_000 | computation | Reference Data From Materials Project: {formula:KBi(PO3)4,spaceGroup:P2_1/c,id:mp-559020} |
| RD_072700806789_000 | computation | Reference Data From Materials Project: {formula:In3Bi7(Pb2S9)2,spaceGroup:P2_1/m,id:mp-651005} |
| RD_073536472374_000 | computation | Reference Data From Materials Project: {formula:Sm2Ti3(BiO6)2,spaceGroup:I4/mmm,id:mp-557438} |
| RD_073944327910_000 | computation | Reference Data From Materials Project: {formula:Bi2(SO4)3,spaceGroup:R-3,id:mp-760109} |
| RD_074306404393_000 | computation | Reference Data From Materials Project: {formula:Ag2Bi2S3Cl2,spaceGroup:P-1,id:mp-559071} |
| RD_074315929090_000 | computation | Reference Data From Materials Project: {formula:Tl7Bi3I16,spaceGroup:Cmcm,id:mp-684055} |
| RD_076456340161_000 | computation | Reference Data From Materials Project: {formula:FeBiO3,spaceGroup:P1,id:mp-561070} |
| RD_076535450943_000 | computation | Reference Data From Materials Project: {formula:K3BiO3,spaceGroup:I-43m,id:mp-29524} |
| RD_077290818822_000 | computation | Reference Data From Materials Project: {formula:CuBi(PSe3)2,spaceGroup:P-31c,id:mp-569715} |
| RD_077625198017_000 | computation | Reference Data From Materials Project: {formula:YbBiPd2,spaceGroup:Fm-3m,id:mp-865736} |
| RD_078046744247_000 | computation | Reference Data From Materials Project: {formula:Nb3(Bi5Cl9)2,spaceGroup:P3,id:mp-685855} |
| RD_078454022789_000 | computation | Reference Data From Materials Project: {formula:Ba(BiS2)2,spaceGroup:P6_3/m,id:mp-28057} |
| RD_078803135961_000 | computation | Reference Data From Materials Project: {formula:MnBi,spaceGroup:P6_3/mmc,id:mp-22878} |
| RD_078904743463_000 | computation | Reference Data From Materials Project: {formula:FeBiO3,spaceGroup:R3,id:mp-655631} |
| RD_079856271258_000 | computation | Reference Data From Materials Project: {formula:Ag25(BiO6)3,spaceGroup:P-3,id:mp-28729} |
| RD_079928531967_000 | computation | Reference Data From Materials Project: {formula:YbBiPd2,spaceGroup:Fm-3m,id:mp-865736} |
| RD_080399897574_000 | computation | Reference Data From Materials Project: {formula:AgBi2F12,spaceGroup:P-1,id:mp-28965} |
| RD_080440574238_000 | computation | Reference Data From Materials Project: {formula:Ga(Bi3O5)4,spaceGroup:I23,id:mp-28632} |
| RD_080749569518_000 | computation | Reference Data From Materials Project: {formula:Bi2Te4Cl7,spaceGroup:P2_12_12_1,id:mp-29991} |
| RD_081528053477_000 | computation | Reference Data From Materials Project: {formula:Na(Bi3O5)4,spaceGroup:I23,id:mp-780705} |
| RD_083009041311_000 | computation | Reference Data From Materials Project: {formula:LiSi3BiO8,spaceGroup:C2/c,id:mp-757082} |
| RD_083786399280_000 | computation | Reference Data From Materials Project: {formula:ErBiPt,spaceGroup:F-43m,id:mp-30454} |
| RD_084722089166_000 | computation | Reference Data From Materials Project: {formula:Bi4Te7Pb,spaceGroup:P-3m1,id:mp-23005} |
| RD_085204958893_000 | computation | Reference Data From Materials Project: {formula:Pu2BiAu,spaceGroup:Fm-3m,id:mp-861929} |
| RD_085604741352_000 | computation | Reference Data From Materials Project: {formula:BiSbO3,spaceGroup:R-3,id:mp-755382} |
| RD_085754855040_000 | computation | Reference Data From Materials Project: {formula:AlBiSCl4,spaceGroup:I-4,id:mp-561350} |
| RD_086105833998_000 | computation | Reference Data From Materials Project: {formula:Bi3(TeCl5)2,spaceGroup:P-1,id:mp-623135} |
| RD_086182674310_000 | computation | Bi in AFLOW crystal prototype A_hR2_166_c (alpha-As). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_086852422606_000 | computation | Reference Data From Materials Project: {formula:Nb2Bi2PbO9,spaceGroup:Ccm2_1,id:mp-583454} |
| RD_088562650765_000 | computation | Reference Data From Materials Project: {formula:Bi3O2F5,spaceGroup:Pnma,id:mp-759405} |
| RD_088621631314_000 | computation | Reference Data From Materials Project: {formula:Bi2Ru2O7,spaceGroup:Fd-3m,id:mp-23445} |
| RD_089292510799_000 | computation | Reference Data From Materials Project: {formula:K3Bi2(AsO4)3,spaceGroup:C2/c,id:mp-561369} |
| RD_090003565863_000 | computation | Reference Data From Materials Project: {formula:LiSiBiO4,spaceGroup:Pc2_1n,id:mp-757038} |
| RD_091741817676_000 | computation | Reference Data From Materials Project: {formula:Li4Bi2S7,spaceGroup:P2_1/c,id:mp-753429} |
| RD_091850216137_000 | computation | Reference Data From Materials Project: {formula:Bi17P5Pb5O43,spaceGroup:Cm,id:mp-680322} |
| RD_092831093195_000 | computation | Reference Data From Materials Project: {formula:K3BiPCO7,spaceGroup:P2_1/m,id:mp-767416} |
| RD_093100939815_000 | computation | Reference Data From Materials Project: {formula:BiP2O7,spaceGroup:P-1,id:mp-26658} |
| RD_093193941056_000 | computation | Reference Data From Materials Project: {formula:Ba3BiRu2O9,spaceGroup:C2/c,id:mp-556602} |
| RD_094297631013_000 | computation | Reference Data From Materials Project: {formula:SrCuBi,spaceGroup:P6_3/mmc,id:mp-30451} |
| RD_094309767190_000 | computation | Reference Data From Materials Project: {formula:K11(In2Bi3)3,spaceGroup:P-1,id:mp-680539} |
| RD_094515452284_000 | computation | Reference Data From Materials Project: {formula:Ba13Bi11O36,spaceGroup:P-1,id:mp-758120} |
| RD_094755566778_000 | computation | Reference Data From Materials Project: {formula:Sr6Bi2O11,spaceGroup:P4/nmm,id:mp-675103} |
| RD_094964688381_000 | computation | Reference Data From Materials Project: {formula:Li2Bi2B2O7,spaceGroup:P2_1/c,id:mp-768765} |
| RD_095092547998_000 | computation | Reference Data From Materials Project: {formula:YbBi2IO4,spaceGroup:P4/mmm,id:mp-628599} |
| RD_095153188189_000 | computation | Reference Data From Materials Project: {formula:Er6MnBi2,spaceGroup:P-62m,id:mp-23039} |
| RD_095968880839_000 | computation | Reference Data From Materials Project: {formula:Cu2BiAsO6,spaceGroup:Pmcn,id:mp-669361} |
| RD_096378507808_000 | computation | Reference Data From Materials Project: {formula:Bi3BO6,spaceGroup:Pnma,id:mp-769033} |
| RD_096442382520_000 | computation | Reference Data From Materials Project: {formula:K6BiH3(Cl2F)4,spaceGroup:P6_3/mmc,id:mp-723540} |
| RD_096931681298_000 | computation | Reference Data From Materials Project: {formula:KBiH10C4O13,spaceGroup:Fdd2,id:mp-698353} |
| RD_096958563329_000 | computation | Reference Data From Materials Project: {formula:AgBiS2,spaceGroup:Cc,id:mp-675977} |
| RD_097129601273_000 | computation | Reference Data From Materials Project: {formula:BiTeBr,spaceGroup:P3m1,id:mp-33723} |
| RD_097684064709_000 | computation | Reference Data From Materials Project: {formula:Ge(BiTe2)2,spaceGroup:R-3m,id:mp-27948} |
| RD_097873477262_000 | computation | Reference Data From Materials Project: {formula:Na5Bi2P(CO4)4,spaceGroup:P1,id:mp-776102} |
| RD_098129983884_000 | computation | Reference Data From Materials Project: {formula:Mn5(NiBi2)2,spaceGroup:F-43m,id:mp-510113} |
| RD_098209661889_000 | computation | Reference Data From Materials Project: {formula:LiBi2BO5,spaceGroup:Pnma,id:mp-768636} |
| RD_099020608779_000 | computation | Reference Data From Materials Project: {formula:CdBiS2Cl,spaceGroup:Pmnb,id:mp-558849} |
| RD_099698639338_000 | computation | Reference Data From Materials Project: {formula:Bi24Cl10O31,spaceGroup:P2/c,id:mp-560085} |
| RD_100373034172_000 | computation | Reference Data From Materials Project: {formula:Bi2O3,spaceGroup:P1,id:mp-684617} |
| RD_100377234377_000 | computation | Reference Data From Materials Project: {formula:GdBi2IO4,spaceGroup:P4/mmm,id:mp-628631} |
| RD_102122318439_000 | computation | Reference Data From Materials Project: {formula:BaBi4(ClO3)2,spaceGroup:I4/mmm,id:mp-560145} |
| RD_102657866107_000 | computation | Reference Data From Materials Project: {formula:Na4Bi2O5,spaceGroup:P2_1/c,id:mp-780721} |
| RD_102759640115_000 | computation | Reference Data From Materials Project: {formula:Cu3BiTe2ClO8,spaceGroup:Pcmn,id:mp-572778} |
| RD_102842099697_000 | computation | Reference Data From Materials Project: {formula:Bi2Rh,spaceGroup:P2_1/c,id:mp-23217} |
| RD_103049104934_000 | computation | Reference Data From Materials Project: {formula:Bi2(PO4)3,spaceGroup:P2_1/c,id:mp-26286} |
| RD_103120025386_000 | computation | Reference Data From Materials Project: {formula:Rb3Bi7Pb3(IO)10,spaceGroup:P1,id:mp-673703} |
| RD_104281869591_000 | computation | Reference Data From Materials Project: {formula:CrBiO3,spaceGroup:C2/c,id:mp-24902} |
| RD_104925669211_000 | computation | Reference Data From Materials Project: {formula:EuAgBi,spaceGroup:P6_3/mmc,id:mp-23378} |
| RD_106218191900_000 | computation | Reference Data From Materials Project: {formula:Na5Bi(P2O7)2,spaceGroup:P-1,id:mp-560624} |
| RD_106669758378_000 | computation | Reference Data From Materials Project: {formula:Be(Bi3O5)4,spaceGroup:I23,id:mp-772198} |
| RD_107347547915_000 | computation | Reference Data From Materials Project: {formula:Tb4Bi3,spaceGroup:I-43d,id:mp-570759} |
| RD_107409993149_000 | computation | Reference Data From Materials Project: {formula:Sc3Bi3O11,spaceGroup:Pn3,id:mp-769111} |
| RD_107485875705_000 | computation | Reference Data From Materials Project: {formula:NbBi(TeO4)2,spaceGroup:Pbca,id:mp-559861} |
| RD_108404373039_000 | computation | Reference Data From Materials Project: {formula:Cu3BiSe2IO8,spaceGroup:Pmnm,id:mp-669425} |
| RD_108934544823_000 | computation | Reference Data From Materials Project: {formula:Na2BiO3,spaceGroup:P2_1/c,id:mp-780618} |
| RD_109267143838_000 | computation | Reference Data From Materials Project: {formula:Li9Bi3P8O29,spaceGroup:P-3c1,id:mp-585305} |
| RD_109294005111_000 | computation | Reference Data From Materials Project: {formula:CrBiO4,spaceGroup:I4_1/amd,id:mp-775434} |
| RD_109574503998_000 | computation | Reference Data From Materials Project: {formula:Sr2Bi2O5,spaceGroup:Pmcn,id:mp-23357} |
| RD_110798375322_000 | computation | Reference Data From Materials Project: {formula:BiF3,spaceGroup:Pbnm,id:mp-23237} |
| RD_111028518450_000 | computation | Reference Data From Materials Project: {formula:Na5Bi2As(CO4)4,spaceGroup:F222,id:mp-776274} |
| RD_111178915526_000 | computation | Reference Data From Materials Project: {formula:Ca2BiAu,spaceGroup:Fm-3m,id:mp-867799} |
| RD_111765842470_000 | computation | Reference Data From Materials Project: {formula:BiPt,spaceGroup:P6_3/mmc,id:mp-22923} |