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.
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| Reference Data | Data Method | Description |
|---|---|---|
| RD_094467832425_000 | computation | Reference Data From Materials Project: {formula:Ba9La5Br33,spaceGroup:P-1,id:mp-851112} |
| RD_094569385011_000 | computation | Reference Data From Materials Project: {formula:Ba6YBr15,spaceGroup:P2_1/c,id:mp-777481} |
| RD_095170928013_000 | computation | Reference Data From Materials Project: {formula:InBr2,spaceGroup:Pnna,id:mp-568108} |
| RD_095565356961_000 | computation | Reference Data From Materials Project: {formula:La7Sb11Br4,spaceGroup:Pmcn,id:mp-570305} |
| RD_095842844497_000 | computation | Reference Data From Materials Project: {formula:Te2Mo3Se7Br10,spaceGroup:P-1,id:mp-645663} |
| RD_096318907215_000 | computation | Reference Data From Materials Project: {formula:SrBr2,spaceGroup:P4/n,id:mp-32711} |
| RD_096395036061_000 | computation | Reference Data From Materials Project: {formula:Cs2LaTa6(Br5O)3,spaceGroup:P-31c,id:mp-572512} |
| RD_097129601273_000 | computation | Reference Data From Materials Project: {formula:BiTeBr,spaceGroup:P3m1,id:mp-33723} |
| RD_099320524882_000 | computation | Reference Data From Materials Project: {formula:Ag2BBr,spaceGroup:Fm-3m,id:mp-631581} |
| RD_099335722357_000 | computation | Reference Data From Materials Project: {formula:Rb4PbBr6,spaceGroup:R-3c,id:mp-28564} |
| RD_100099680714_000 | computation | Reference Data From Materials Project: {formula:Ba3In2Br2O5,spaceGroup:I4/mmm,id:mp-556004} |
| RD_100466835201_000 | computation | Reference Data From Materials Project: {formula:SbS(BrF2)3,spaceGroup:P2_12_12_1,id:mp-560639} |
| RD_100916626241_000 | computation | Reference Data From Materials Project: {formula:Th(InBr3)2,spaceGroup:C2/c,id:mp-617543} |
| RD_101539740513_000 | computation | Reference Data From Materials Project: {formula:Sm11Br24,spaceGroup:Pbcn,id:mp-684193} |
| RD_102150929060_000 | computation | Reference Data From Materials Project: {formula:TlGaBr4,spaceGroup:P2_1/c,id:mp-569348} |
| RD_103083402574_000 | computation | Reference Data From Materials Project: {formula:Mn2SnC10(BrO5)2,spaceGroup:P2_1/c,id:mp-637929} |
| RD_105123377259_000 | computation | Reference Data From Materials Project: {formula:H8C2BrN,spaceGroup:P2_1/m,id:mp-568157} |
| RD_105792602617_000 | computation | Reference Data From Materials Project: {formula:Re3(SeBr)7,spaceGroup:P31c,id:mp-680015} |
| RD_107077118924_000 | computation | Reference Data From Materials Project: {formula:KMo3Br7,spaceGroup:Pnnn,id:mp-531064} |
| RD_107246063091_000 | computation | Reference Data From Materials Project: {formula:Pr(AlBr4)3,spaceGroup:P3_121,id:mp-567874} |
| RD_107423868966_000 | computation | Reference Data From Materials Project: {formula:SiBr4,spaceGroup:Pa3,id:mp-570285} |
| RD_107503249017_000 | computation | Reference Data From Materials Project: {formula:Si3PH27C9BrN2,spaceGroup:P-1,id:mp-567146} |
| RD_107822174784_000 | computation | Reference Data From Materials Project: {formula:CsBr3,spaceGroup:Pmcn,id:mp-27641} |
| RD_107884057700_000 | computation | Reference Data From Materials Project: {formula:La2B3Br,spaceGroup:P-6m2,id:mp-568985} |
| RD_108020289831_000 | computation | Reference Data From Materials Project: {formula:Rb2WBr6,spaceGroup:Fm-3m,id:mp-29481} |
| RD_108776678945_000 | computation | Reference Data From Materials Project: {formula:RbVBr3,spaceGroup:P-3c1,id:mp-568136} |
| RD_109025172092_000 | computation | Reference Data From Materials Project: {formula:AlSeBr7,spaceGroup:Pc,id:mp-29408} |
| RD_109322479243_000 | computation | Reference Data From Materials Project: {formula:NbBr2O,spaceGroup:C2,id:mp-550070} |
| RD_109771396055_000 | computation | Reference Data From Materials Project: {formula:ZrBrO,spaceGroup:R-3m,id:mp-754503} |
| RD_111909262805_000 | computation | Reference Data From Materials Project: {formula:CuBr,spaceGroup:P4/nmm,id:mp-22917} |
| RD_113684092097_000 | computation | Reference Data From Materials Project: {formula:MnH8(BrO2)2,spaceGroup:P2_1/c,id:mp-540545} |
| RD_114113519120_000 | computation | Reference Data From Materials Project: {formula:K2SnBr6,spaceGroup:Fm-3m,id:mp-568333} |
| RD_114130299165_000 | computation | Reference Data From Materials Project: {formula:Cs2UBr6,spaceGroup:Fm-3m,id:mp-540735} |
| RD_114152378248_000 | computation | Reference Data From Materials Project: {formula:MnSbSe2Br,spaceGroup:Pm,id:mp-639335} |
| RD_114160204165_000 | computation | Reference Data From Materials Project: {formula:YbRbBr3,spaceGroup:Pbnm,id:mp-571418} |
| RD_114366974228_000 | computation | Reference Data From Materials Project: {formula:PrBrO,spaceGroup:R-3m,id:mp-756702} |
| RD_114441780336_000 | computation | Reference Data From Materials Project: {formula:Ga4Hg11(AsBr4)4,spaceGroup:C2/m,id:mp-669455} |
| RD_114942455440_000 | computation | BrK 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_115054883032_000 | computation | Reference Data From Materials Project: {formula:NiH12(BrO7)2,spaceGroup:P-3,id:mp-743133} |
| RD_115125857965_000 | computation | Reference Data From Materials Project: {formula:Ce6B2(CBr)3,spaceGroup:P2/m,id:mp-570060} |
| RD_115334020528_000 | computation | Reference Data From Materials Project: {formula:CrBr2,spaceGroup:C2/m,id:mp-567624} |
| RD_117472351880_000 | computation | Reference Data From Materials Project: {formula:Tl5Se2Br,spaceGroup:I4/mcm,id:mp-28921} |
| RD_119067435163_000 | computation | Br in AFLOW crystal prototype A_oC8_64_f. 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_120367181046_000 | computation | Reference Data From Materials Project: {formula:SnHg7(P2Br3)2,spaceGroup:P2_13,id:mp-570135} |
| RD_120595415890_000 | computation | Reference Data From Materials Project: {formula:CuS4BrN4,spaceGroup:P2_1/c,id:mp-557980} |
| RD_120762172480_000 | computation | Reference Data From Materials Project: {formula:UBr3,spaceGroup:P6_3/m,id:mp-23255} |
| RD_122197151574_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_122569247164_000 | computation | Reference Data From Materials Project: {formula:Yb4Br6O,spaceGroup:P4_2/nmc,id:mp-760635} |
| RD_123040289026_000 | computation | Reference Data From Materials Project: {formula:CdHg6(As2Br3)2,spaceGroup:Pa3,id:mp-567910} |
| RD_123475421411_000 | computation | Br in AFLOW crystal prototype A_cF4_225_a (Face-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_123725513868_000 | computation | Reference Data From Materials Project: {formula:FeH4Br3N,spaceGroup:P6_3,id:mp-865922} |
| RD_123785256228_000 | computation | Reference Data From Materials Project: {formula:AgBrO4,spaceGroup:Pmnb,id:mp-755991} |
| RD_124823918064_000 | computation | Reference Data From Materials Project: {formula:K2CuBr3,spaceGroup:Pmnb,id:mp-571440} |
| RD_124903232450_000 | computation | Reference Data From Materials Project: {formula:La3B(CBr)2,spaceGroup:Pmcn,id:mp-569072} |
| RD_125032659678_000 | computation | Reference Data From Materials Project: {formula:CsCdBr3,spaceGroup:Pm-3m,id:mp-570231} |
| RD_127232371846_000 | computation | Reference Data From Materials Project: {formula:Ba3(BrO)2,spaceGroup:Pnma,id:mp-779533} |
| RD_127242813571_000 | computation | Reference Data From Materials Project: {formula:Li2ZnBr4,spaceGroup:Pcmn,id:mp-28829} |
| RD_127644828251_000 | computation | Reference Data From Materials Project: {formula:BeCuBr,spaceGroup:F-43m,id:mp-631505} |
| RD_128580720193_000 | computation | Reference Data From Materials Project: {formula:CuHgSBr,spaceGroup:Pmcb,id:mp-554879} |
| RD_129339636153_000 | computation | Reference Data From Materials Project: {formula:CdH24C4(BrN2)6,spaceGroup:P2_1/c,id:mp-707501} |
| RD_129695386146_000 | computation | Reference Data From Materials Project: {formula:AgBr,spaceGroup:F-43m,id:mp-866291} |
| RD_130007003659_000 | computation | Reference Data From Materials Project: {formula:Li6Br3N,spaceGroup:Cm,id:mp-676650} |
| RD_130026340156_000 | computation | Reference Data From Materials Project: {formula:VS2Br2N3,spaceGroup:P-1,id:mp-555484} |
| RD_130546766742_000 | computation | Reference Data From Materials Project: {formula:Li2MgBr4,spaceGroup:P4_322,id:mp-675946} |
| RD_131201538351_000 | computation | Reference Data From Materials Project: {formula:H7BrO3,spaceGroup:P1,id:mp-625583} |
| RD_132006860291_000 | computation | Reference Data From Materials Project: {formula:BeCuBr,spaceGroup:F-43m,id:mp-631505} |
| RD_132823959930_000 | computation | Reference Data From Materials Project: {formula:Br3N(O2F5)2,spaceGroup:P22_12_1,id:mp-554129} |
| RD_132965321197_000 | computation | Reference Data From Materials Project: {formula:ZrBr3,spaceGroup:P6_3/mcm,id:mp-23247} |
| RD_133222372644_000 | computation | Reference Data From Materials Project: {formula:Ba5P3BrO12,spaceGroup:P6_3/m,id:mp-561125} |
| RD_133322357172_000 | computation | Reference Data From Materials Project: {formula:KInBr3,spaceGroup:P-3,id:mp-28529} |
| RD_134817212761_000 | computation | Reference Data From Materials Project: {formula:YBr3,spaceGroup:C2/m,id:mp-754815} |
| RD_135056408768_000 | computation | Reference Data From Materials Project: {formula:PbBr2,spaceGroup:Pmnb,id:mp-28077} |
| RD_135783049336_000 | computation | Reference Data From Materials Project: {formula:Ba3(BrO)2,spaceGroup:P2_1/c,id:mp-752648} |
| RD_136611242758_000 | computation | Reference Data From Materials Project: {formula:Cs2WBr6,spaceGroup:Fm-3m,id:mp-541753} |
| RD_136916945465_000 | computation | Reference Data From Materials Project: {formula:NaGaBr4,spaceGroup:Pcmn,id:mp-28679} |
| RD_138847649424_000 | computation | Reference Data From Materials Project: {formula:Ce3Br6N,spaceGroup:Pbca,id:mp-679986} |
| RD_139070145233_000 | computation | Reference Data From Materials Project: {formula:ReW2Br,spaceGroup:F-43m,id:mp-631424} |
| RD_139737730264_000 | computation | Reference Data From Materials Project: {formula:K3Mo2Br9,spaceGroup:P6_3/m,id:mp-570000} |
| RD_139777945589_000 | computation | Reference Data From Materials Project: {formula:Rb4CdBr6,spaceGroup:R-3c,id:mp-28315} |
| RD_139953764136_000 | computation | Reference Data From Materials Project: {formula:Rb2Cu(BrCl)2,spaceGroup:Cmce,id:mp-571638} |
| RD_140218895379_000 | computation | Reference Data From Materials Project: {formula:InSnBr3,spaceGroup:P1,id:mp-685272} |
| RD_140415625304_000 | computation | Reference Data From Materials Project: {formula:YbBrO,spaceGroup:P4/nmm,id:mp-601693} |
| RD_141258315324_000 | computation | Reference Data From Materials Project: {formula:Ge2S3Br2,spaceGroup:P-1,id:mp-540792} |
| RD_141263405050_000 | computation | Reference Data From Materials Project: {formula:HgBr2,spaceGroup:Ccm2_1,id:mp-23292} |
| RD_142062666439_000 | computation | Reference Data From Materials Project: {formula:Li4Ga3Si3BrO12,spaceGroup:P-43n,id:mp-556649} |
| RD_142154216105_000 | computation | Reference Data From Materials Project: {formula:Eu2B5BrO9,spaceGroup:P2nn,id:mp-558834} |
| RD_142740726826_000 | computation | Reference Data From Materials Project: {formula:Pb7(BrF6)2,spaceGroup:P-6,id:mp-29927} |
| RD_143329945604_000 | computation | Reference Data From Materials Project: {formula:FeH14C3Br3NO2,spaceGroup:Pmcn,id:mp-600524} |
| RD_143794269222_000 | computation | Reference Data From Materials Project: {formula:TeAs(BrF2)3,spaceGroup:P2_1/c,id:mp-557570} |
| RD_144209770412_000 | computation | Reference Data From Materials Project: {formula:Rb3V2Br9,spaceGroup:P6_3/mmc,id:mp-650503} |
| RD_144842389812_000 | computation | Reference Data From Materials Project: {formula:Ba13Ru10BrO36,spaceGroup:C2/m,id:mp-695535} |
| RD_145587189069_000 | computation | Reference Data From Materials Project: {formula:CoBr2,spaceGroup:P-3m1,id:mp-30033} |
| RD_146000664436_000 | computation | Reference Data From Materials Project: {formula:NpBr3,spaceGroup:Cmcm,id:mp-567519} |
| RD_147634104913_000 | computation | Reference Data From Materials Project: {formula:CdHgAsBr,spaceGroup:Pmmb,id:mp-569454} |
| RD_148548571385_000 | computation | Reference Data From Materials Project: {formula:CsTlBr4,spaceGroup:P2_12_12_1,id:mp-573702} |
| RD_148750480590_000 | computation | Reference Data From Materials Project: {formula:MnC5BrO5,spaceGroup:Pcmn,id:mp-631350} |
| RD_148930775483_000 | computation | Reference Data From Materials Project: {formula:Eu2PBr,spaceGroup:R-3m,id:mp-613052} |
| RD_149261544862_000 | computation | Reference Data From Materials Project: {formula:CsLi2Br3,spaceGroup:Immm,id:mp-606680} |
| RD_149334871145_000 | computation | Reference Data From Materials Project: {formula:PBr3,spaceGroup:Pbnm,id:mp-27257} |
| RD_149553019513_000 | computation | Reference Data From Materials Project: {formula:K2PrBr5,spaceGroup:Pcmn,id:mp-28276} |
| RD_149762274502_000 | computation | Reference Data From Materials Project: {formula:Pb7(BrF6)2,spaceGroup:P-6,id:mp-29927} |
| RD_149788272857_000 | computation | Reference Data From Materials Project: {formula:PBr7,spaceGroup:Pmnb,id:mp-647343} |
| RD_149795730222_000 | computation | Reference Data From Materials Project: {formula:Tb3SiBr3,spaceGroup:I4_132,id:mp-30232} |
| RD_150685738967_000 | computation | Reference Data From Materials Project: {formula:RbBr,spaceGroup:Fm-3m,id:mp-22867} |
| RD_150954169485_000 | computation | Reference Data From Materials Project: {formula:Bi4RuBr2,spaceGroup:C2/m,id:mp-541772} |
| RD_151163072443_000 | computation | Reference Data From Materials Project: {formula:CuH8C2Br3NO,spaceGroup:P-1,id:mp-556725} |
| RD_153898909189_000 | computation | Reference Data From Materials Project: {formula:La5(AlBr)4,spaceGroup:I4/mcm,id:mp-31252} |
| RD_156144775929_000 | computation | Reference Data From Materials Project: {formula:NaH4Au(Br2O)2,spaceGroup:Pnma,id:mp-761916} |
| RD_156505694966_000 | computation | Reference Data From Materials Project: {formula:Cu3P4Se4Br3,spaceGroup:P2_1,id:mp-680446} |
| RD_157358838698_000 | computation | Reference Data From Materials Project: {formula:TlBr,spaceGroup:Pm-3m,id:mp-22875} |
| RD_157408988067_000 | computation | Reference Data From Materials Project: {formula:YbBi2BrO4,spaceGroup:P4/mmm,id:mp-552016} |
| RD_158056092204_000 | computation | Reference Data From Materials Project: {formula:NpBr3,spaceGroup:P6_3/m,id:mp-23166} |
| RD_158455793681_000 | computation | Br in AFLOW crystal prototype A_tI2_139_a. 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_158961497061_000 | computation | Reference Data From Materials Project: {formula:Cs3Mo2Br9,spaceGroup:P6_3/mmc,id:mp-23015} |
| RD_159807672368_000 | computation | Reference Data From Materials Project: {formula:Ba(BrO3)2,spaceGroup:F2dd,id:mp-28514} |
| RD_160405019493_000 | computation | Reference Data From Materials Project: {formula:Na4Al3Si3BrO12,spaceGroup:P-43n,id:mp-23147} |
| RD_160943038389_000 | computation | Reference Data From Materials Project: {formula:AlBiBr6,spaceGroup:P-1,id:mp-31268} |
| RD_161276522795_000 | computation | Reference Data From Materials Project: {formula:NbTlBr4O,spaceGroup:C2,id:mp-551826} |
| RD_161632056335_000 | computation | Reference Data From Materials Project: {formula:Li3BrO,spaceGroup:Pm-3m,id:mp-28593} |
| RD_163800717629_000 | computation | Reference Data From Materials Project: {formula:PuBrO,spaceGroup:P4/nmm,id:mp-27982} |
| RD_164653413017_000 | computation | Reference Data From Materials Project: {formula:Li2FeBr4,spaceGroup:Ibmm,id:mp-675578} |
| RD_166047423744_000 | computation | Reference Data From Materials Project: {formula:K2(NbBr3)3,spaceGroup:C2/m,id:mp-31012} |
| RD_166381885478_000 | computation | Reference Data From Materials Project: {formula:Nb3SBr7,spaceGroup:P3m1,id:mp-29057} |
| RD_167079478078_000 | computation | Reference Data From Materials Project: {formula:SbS(BrF2)3,spaceGroup:P2_1/c,id:mp-555288} |
| RD_167360932752_000 | computation | Reference Data From Materials Project: {formula:AsS(BrF2)3,spaceGroup:P2_1/c,id:mp-558466} |
| RD_168265357842_000 | computation | Reference Data From Materials Project: {formula:GeBr4,spaceGroup:Pa3,id:mp-571246} |
| RD_168298682349_000 | computation | Reference Data From Materials Project: {formula:KBr,spaceGroup:Fm-3m,id:mp-23251} |
| RD_168639790370_000 | computation | Reference Data From Materials Project: {formula:Rb3Nb2Br9,spaceGroup:P6_3/mmc,id:mp-29413} |
| RD_171190969161_000 | computation | Reference Data From Materials Project: {formula:Ba4Br6O,spaceGroup:P6_3mc,id:mp-555218} |
| RD_171305386622_000 | computation | Reference Data From Materials Project: {formula:CoH12(BrO7)2,spaceGroup:P-3m1,id:mp-643575} |
| RD_172190050639_000 | computation | Reference Data From Materials Project: {formula:Mn2InC10BrO10,spaceGroup:P-1,id:mp-683668} |
| RD_173022766138_000 | computation | Reference Data From Materials Project: {formula:CdH8C2Br3N,spaceGroup:P2_1/c,id:mp-600182} |
| RD_173045991623_000 | computation | Reference Data From Materials Project: {formula:TcBr4,spaceGroup:Pbca,id:mp-570480} |
| RD_174499042611_000 | computation | Reference Data From Materials Project: {formula:RbBr,spaceGroup:Fm-3m,id:mp-22867} |
| RD_177918850495_000 | computation | Reference Data From Materials Project: {formula:RuBr3,spaceGroup:P6_3/mcm,id:mp-22892} |
| RD_179679263156_000 | computation | Br in AFLOW crystal prototype A_tI2_139_a. 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_180169846091_000 | computation | Reference Data From Materials Project: {formula:Tb10B2Br15,spaceGroup:P-1,id:mp-29846} |
| RD_180386105044_000 | computation | Reference Data From Materials Project: {formula:Gd2Br3,spaceGroup:C2/m,id:mp-618813} |
| RD_181140002837_000 | computation | Reference Data From Materials Project: {formula:Ta2Se17Br12,spaceGroup:P-1,id:mp-541758} |
| RD_181278611548_000 | computation | Reference Data From Materials Project: {formula:AgBr,spaceGroup:Fm-3m,id:mp-23231} |
| RD_181295683904_000 | computation | Reference Data From Materials Project: {formula:WSBr4,spaceGroup:P2_1/c,id:mp-561582} |
| RD_182717835244_000 | computation | Br in AFLOW crystal prototype A_oC8_64_f. 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_183110976183_000 | computation | Reference Data From Materials Project: {formula:PBr2N,spaceGroup:P4_2/n,id:mp-570315} |
| RD_183328883865_000 | computation | BrLi 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_183514547877_000 | computation | Reference Data From Materials Project: {formula:Cs3Sb2Br9,spaceGroup:P-3m1,id:mp-579560} |
| RD_183576009081_000 | computation | Reference Data From Materials Project: {formula:Ba3(BrO)2,spaceGroup:Pbnm,id:mp-756942} |
| RD_184693573577_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_185576975855_000 | computation | Reference Data From Materials Project: {formula:Ba4Br6O,spaceGroup:P4_2/nmc,id:mp-752424} |
| RD_185925011694_000 | computation | Reference Data From Materials Project: {formula:YBr3,spaceGroup:P6_3/mmc,id:mp-865605} |
| RD_186442103347_000 | computation | Reference Data From Materials Project: {formula:KAuBr4,spaceGroup:P2_1/c,id:mp-29694} |
| RD_186724560342_000 | computation | Reference Data From Materials Project: {formula:Hg2TeBr3,spaceGroup:P2_1/c,id:mp-570125} |
| RD_187033250792_000 | computation | Reference Data From Materials Project: {formula:TlW3Br7,spaceGroup:Pnnn,id:mp-530709} |
| RD_187345531557_000 | computation | Reference Data From Materials Project: {formula:BaLaBr5,spaceGroup:P2_1/m,id:mp-754494} |
| RD_188613255471_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_190082465017_000 | computation | Reference Data From Materials Project: {formula:Yb4Br6O,spaceGroup:P6_3mc,id:mp-850213} |
| RD_190108367156_000 | computation | Reference Data From Materials Project: {formula:Cs3Cu2Br5,spaceGroup:Pnma,id:mp-582423} |
| RD_190354187643_000 | computation | Reference Data From Materials Project: {formula:Ba7Ru4Br2O15,spaceGroup:R-3m,id:mp-556877} |
| RD_191260786525_000 | computation | Reference Data From Materials Project: {formula:InSb2S4Br,spaceGroup:C2/m,id:mp-559864} |
| RD_191747676295_000 | computation | Reference Data From Materials Project: {formula:Hg8Br3O4,spaceGroup:P2_1/c,id:mp-651839} |
| RD_192370458955_000 | computation | Reference Data From Materials Project: {formula:Hg8Br3O4,spaceGroup:P2_1/c,id:mp-667387} |
| RD_193406541549_000 | computation | Reference Data From Materials Project: {formula:As(BrF2)3,spaceGroup:P-1,id:mp-28159} |
| RD_193406694890_000 | computation | Reference Data From Materials Project: {formula:SrCd2H16(Br3O4)2,spaceGroup:P2_12_12,id:mp-761745} |
| RD_193459377394_000 | computation | Reference Data From Materials Project: {formula:Gd2CBr,spaceGroup:P6_3/mmc,id:mp-28522} |
| RD_194100807980_000 | computation | Reference Data From Materials Project: {formula:CaH12(BrO3)2,spaceGroup:P321,id:mp-24044} |
| RD_194601646275_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:I4/mmm,id:mp-29881} |
| RD_195345371762_000 | computation | Reference Data From Materials Project: {formula:Bi24Ru3Br20,spaceGroup:Pc2_1n,id:mp-680053} |
| RD_195549821417_000 | computation | Reference Data From Materials Project: {formula:Li4Al3Ge3BrO12,spaceGroup:P-43n,id:mp-554733} |
| RD_196048945876_000 | computation | Reference Data From Materials Project: {formula:CeBr3,spaceGroup:P6_3/m,id:mp-569850} |
| RD_197494873876_000 | computation | Reference Data From Materials Project: {formula:TlBr,spaceGroup:Fm-3m,id:mp-568560} |
| RD_197559154752_000 | computation | Reference Data From Materials Project: {formula:Ce4C4Br3,spaceGroup:P-1,id:mp-569330} |
| RD_197648743094_000 | computation | Reference Data From Materials Project: {formula:HBr,spaceGroup:Fm-3m,id:mp-23903} |
| RD_198173355253_000 | computation | Reference Data From Materials Project: {formula:Hg3(SBr)2,spaceGroup:C2/m,id:mp-559832} |
| RD_198953596721_000 | computation | Reference Data From Materials Project: {formula:Ag(W3Br7)2,spaceGroup:Pn3,id:mp-29717} |
| RD_199040274919_000 | computation | Reference Data From Materials Project: {formula:AlSBr3N,spaceGroup:P2_1/c,id:mp-558847} |
| RD_199444669310_000 | computation | Reference Data From Materials Project: {formula:LuBr3,spaceGroup:P6_3/mmc,id:mp-866214} |
| RD_200109932523_000 | computation | Reference Data From Materials Project: {formula:P2H24PdC12(BrN3)2,spaceGroup:P2_1/c,id:mp-708969} |
| RD_200238627330_000 | computation | Reference Data From Materials Project: {formula:K3Sn2S3BrO12,spaceGroup:P2_1,id:mp-676501} |
| RD_201698335815_000 | computation | Reference Data From Materials Project: {formula:TiBrO,spaceGroup:Pmmn,id:mp-23002} |
| RD_202255264231_000 | computation | Reference Data From Materials Project: {formula:Ca2B5BrO9,spaceGroup:P2nn,id:mp-554056} |
| RD_203079869869_000 | computation | Reference Data From Materials Project: {formula:LuBr3,spaceGroup:P6_3/mmc,id:mp-866214} |
| RD_203442255172_000 | computation | Reference Data From Materials Project: {formula:SnHg7(P2Br3)2,spaceGroup:P2_13,id:mp-570135} |
| RD_203468492876_000 | computation | Reference Data From Materials Project: {formula:CsSnBr3,spaceGroup:Pm-3m,id:mp-27214} |
| RD_203474179063_000 | computation | Reference Data From Materials Project: {formula:ReRuBr,spaceGroup:F-43m,id:mp-631435} |
| RD_205496903252_000 | computation | Reference Data From Materials Project: {formula:BaBr2,spaceGroup:Pmnb,id:mp-27456} |
| RD_206357024857_000 | computation | Reference Data From Materials Project: {formula:K4Zr6CBr18,spaceGroup:P-1,id:mp-627575} |
| RD_209191312101_000 | computation | Reference Data From Materials Project: {formula:RbAuBr3,spaceGroup:C2/m,id:mp-27300} |
| RD_211050647175_000 | computation | Reference Data From Materials Project: {formula:La9Sb16Br3,spaceGroup:P6_3/m,id:mp-567777} |
| RD_212403136226_000 | computation | Reference Data From Materials Project: {formula:K2RuBr5NO,spaceGroup:Pcmn,id:mp-560144} |
| RD_212599188804_000 | computation | Reference Data From Materials Project: {formula:TaAuBr,spaceGroup:F-43m,id:mp-631566} |
| RD_213075322901_000 | computation | Reference Data From Materials Project: {formula:BaHBrO,spaceGroup:Pnma,id:mp-643036} |
| RD_213350229328_000 | computation | Reference Data From Materials Project: {formula:Th6CoBr15,spaceGroup:Im-3m,id:mp-28167} |
| RD_213426231329_000 | computation | Reference Data From Materials Project: {formula:La5In3Br,spaceGroup:P6_3/mcm,id:mp-631961} |
| RD_213727409694_000 | computation | Reference Data From Materials Project: {formula:Na4Al3Ge3BrO12,spaceGroup:P-43n,id:mp-559084} |
| RD_213849668535_000 | computation | Reference Data From Materials Project: {formula:Nd(AlBr4)3,spaceGroup:P3_121,id:mp-28757} |
| RD_214289273778_000 | computation | Reference Data From Materials Project: {formula:K2OsBr6,spaceGroup:Fm-3m,id:mp-27835} |
| RD_214436383030_000 | computation | Reference Data From Materials Project: {formula:Hg6BiSb4Br7,spaceGroup:Pa3,id:mp-568828} |
| RD_214706099343_000 | computation | Reference Data From Materials Project: {formula:Bi12Rh3Br2,spaceGroup:Fddd,id:mp-645514} |
| RD_214787513503_000 | computation | Reference Data From Materials Project: {formula:Hg12SbBr(ClO3)2,spaceGroup:P3,id:mp-642625} |
| RD_214932198849_000 | computation | Reference Data From Materials Project: {formula:Hg9Bi2(AsBr3)4,spaceGroup:P4_3,id:mp-568804} |
| RD_217317214340_000 | computation | Reference Data From Materials Project: {formula:Ba3Y2Br12,spaceGroup:P2_1/c,id:mp-777292} |
| RD_217486866816_000 | computation | Reference Data From Materials Project: {formula:Cs2U(Br2O)2,spaceGroup:P2_1/c,id:mp-572551} |
| RD_220274386148_000 | computation | Reference Data From Materials Project: {formula:ZrBr,spaceGroup:R-3m,id:mp-504594} |
| RD_220391768355_000 | computation | Reference Data From Materials Project: {formula:KCBr(NO2)2,spaceGroup:P-1,id:mp-558178} |
| RD_221743496553_000 | computation | Reference Data From Materials Project: {formula:BrO2F,spaceGroup:Cc,id:mp-36262} |
| RD_222309083160_000 | computation | Reference Data From Materials Project: {formula:IrPbBr,spaceGroup:F-43m,id:mp-631478} |
| RD_222343542512_000 | computation | Reference Data From Materials Project: {formula:BaBi4(BrO3)2,spaceGroup:I4/mmm,id:mp-561172} |
| RD_222482347295_000 | computation | Reference Data From Materials Project: {formula:IrOs2Br,spaceGroup:Fm-3m,id:mp-631480} |
| RD_222783438383_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_223118955326_000 | computation | Reference Data From Materials Project: {formula:CsCrH18Br2N6(ClO4)2,spaceGroup:R-3,id:mp-25512} |
| RD_225009396774_000 | computation | Reference Data From Materials Project: {formula:RbCdBr3,spaceGroup:Pmnb,id:mp-27400} |
| RD_226314071209_000 | computation | Reference Data From Materials Project: {formula:K2UBr5,spaceGroup:Pcmn,id:mp-28776} |
| RD_226569283540_000 | computation | Reference Data From Materials Project: {formula:RbVBr3,spaceGroup:P6_3/mmc,id:mp-570099} |
| RD_226742711855_000 | computation | Reference Data From Materials Project: {formula:Li4Be3P3BrO12,spaceGroup:P-43n,id:mp-554560} |
| RD_227127367300_000 | computation | Reference Data From Materials Project: {formula:P2H9(CBr)3,spaceGroup:P2_1/c,id:mp-779221} |
| RD_227909926375_000 | computation | Reference Data From Materials Project: {formula:La2PBr2,spaceGroup:P-3m1,id:mp-570988} |
| RD_229346922263_000 | computation | Reference Data From Materials Project: {formula:Y4BBr6,spaceGroup:C2/c,id:mp-29485} |
| RD_229501223177_000 | computation | Reference Data From Materials Project: {formula:CsCaBr3,spaceGroup:Pm-3m,id:mp-30056} |
| RD_230107834572_000 | computation | Reference Data From Materials Project: {formula:K8Zr6BBr20,spaceGroup:Fm-3m,id:mp-866664} |
| RD_230888557783_000 | computation | Reference Data From Materials Project: {formula:EuBi2BrO4,spaceGroup:P4/mmm,id:mp-669431} |
| RD_231204552401_000 | computation | Reference Data From Materials Project: {formula:BaLaBr5,spaceGroup:P2_1/m,id:mp-770405} |
| RD_231949476498_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_232263520132_000 | computation | Reference Data From Materials Project: {formula:KBrF4,spaceGroup:I4/mcm,id:mp-556565} |
| RD_232515974803_000 | computation | Reference Data From Materials Project: {formula:SbSBr,spaceGroup:Pmnb,id:mp-22971} |
| RD_233191586825_000 | computation | Reference Data From Materials Project: {formula:CdBr2,spaceGroup:P6_3mc,id:mp-27934} |
| RD_233643429724_000 | computation | Reference Data From Materials Project: {formula:H9BrO4,spaceGroup:P2_1,id:mp-625652} |
| RD_233669518137_000 | computation | Reference Data From Materials Project: {formula:AgBr,spaceGroup:Fm-3m,id:mp-23231} |
| RD_233883524453_000 | computation | Reference Data From Materials Project: {formula:PBr5,spaceGroup:Pcmb,id:mp-22874} |
| RD_234238236464_000 | computation | Reference Data From Materials Project: {formula:RbAuBr4,spaceGroup:P2_1/c,id:mp-30996} |
| RD_234261906946_000 | computation | Reference Data From Materials Project: {formula:NaBr,spaceGroup:Fm-3m,id:mp-22916} |
| RD_234437020408_000 | computation | Reference Data From Materials Project: {formula:RbBr,spaceGroup:Pm-3m,id:mp-23303} |
| RD_234457244216_000 | computation | Reference Data From Materials Project: {formula:NdBrO,spaceGroup:P4/nmm,id:mp-23068} |
| RD_234555197620_000 | computation | Reference Data From Materials Project: {formula:Ba2Cu3(BrO2)2,spaceGroup:I4/mmm,id:mp-23129} |
| RD_234799693637_000 | computation | Reference Data From Materials Project: {formula:Tl2Br3,spaceGroup:C2/c,id:mp-680345} |
| RD_236203701783_000 | computation | Reference Data From Materials Project: {formula:Tb2Cs3Br9,spaceGroup:R-3c,id:mp-669304} |
| RD_236437296791_000 | computation | Reference Data From Materials Project: {formula:Y3BrO4,spaceGroup:Cmcm,id:mp-560029} |
| RD_237629449554_000 | computation | Reference Data From Materials Project: {formula:H9BrO4,spaceGroup:P1,id:mp-625653} |
| RD_238006779649_000 | computation | Reference Data From Materials Project: {formula:GeW2C10(BrO5)2,spaceGroup:P2_1/c,id:mp-704542} |
| RD_238897423092_000 | computation | Reference Data From Materials Project: {formula:Sr20P12Br(O16F)3,spaceGroup:P3,id:mp-729560} |
| RD_239000272040_000 | computation | Reference Data From Materials Project: {formula:SeBr4,spaceGroup:P31c,id:mp-651332} |
| RD_239334288006_000 | computation | Reference Data From Materials Project: {formula:BaYBr5,spaceGroup:P2_1/c,id:mp-776795} |
| RD_240171391508_000 | computation | Reference Data From Materials Project: {formula:Ce6S4BrN3,spaceGroup:Pmnb,id:mp-680421} |
| RD_241898764000_000 | computation | Reference Data From Materials Project: {formula:BPBr2NCl3,spaceGroup:Cmce,id:mp-568514} |
| RD_243115977487_000 | computation | Reference Data From Materials Project: {formula:SnHg2(SBr)2,spaceGroup:P2_1/c,id:mp-554096} |
| RD_244315718355_000 | computation | BrK 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_244334791613_000 | computation | Reference Data From Materials Project: {formula:Cs3Mo2Br9,spaceGroup:P6_3/mmc,id:mp-23015} |
| RD_245366269608_000 | computation | Reference Data From Materials Project: {formula:Re2RuBr,spaceGroup:Fm-3m,id:mp-631592} |
| RD_245621434533_000 | computation | Reference Data From Materials Project: {formula:CdBiSe2Br,spaceGroup:Pmnb,id:mp-570590} |
| RD_246671573947_000 | computation | Reference Data From Materials Project: {formula:AgPbBrO,spaceGroup:P4/nmm,id:mp-559470} |
| RD_249544459454_000 | computation | Reference Data From Materials Project: {formula:YBrO,spaceGroup:P4/nmm,id:mp-768906} |
| RD_249597027780_000 | computation | Reference Data From Materials Project: {formula:Rb3Nb2Br9,spaceGroup:P6_3/mmc,id:mp-29413} |
| RD_250362706870_000 | computation | BrLi 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_250832180710_000 | computation | Reference Data From Materials Project: {formula:Ag3SBr,spaceGroup:Fm2m,id:mp-36600} |
| RD_252305138151_000 | computation | Reference Data From Materials Project: {formula:TaBr5,spaceGroup:Pbnm,id:mp-568846} |
| RD_252328241499_000 | computation | BrNa 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_252410330791_000 | computation | Reference Data From Materials Project: {formula:HgBr2,spaceGroup:P3,id:mp-571558} |
| RD_253871593354_000 | computation | Reference Data From Materials Project: {formula:Fe3C8(Br2N)8,spaceGroup:P-1,id:mp-648167} |
| RD_254044482215_000 | computation | Reference Data From Materials Project: {formula:Ta3SBr7,spaceGroup:Cm,id:mp-31015} |
| RD_254909973369_000 | computation | Reference Data From Materials Project: {formula:Hg6S4IBr2Cl,spaceGroup:Pmcn,id:mp-23652} |
| RD_254936315883_000 | computation | Reference Data From Materials Project: {formula:Sr5P3BrO12,spaceGroup:P6_3/m,id:mp-23141} |
| RD_255304924618_000 | computation | Reference Data From Materials Project: {formula:La5Sb3Br,spaceGroup:P6_3/mcm,id:mp-29684} |
| RD_255611852529_000 | computation | Reference Data From Materials Project: {formula:Ta2Br5,spaceGroup:Ia-3d,id:mp-680077} |
| RD_256035524516_000 | computation | Reference Data From Materials Project: {formula:K2HgC2S2(BrN)2,spaceGroup:P6_3/m,id:mp-556327} |
| RD_256322336130_000 | computation | Reference Data From Materials Project: {formula:Hg19(As5Br9)2,spaceGroup:P-1,id:mp-504876} |
| RD_256330809368_000 | computation | Reference Data From Materials Project: {formula:CuBr,spaceGroup:F-43m,id:mp-22913} |
| RD_259615091026_000 | computation | Reference Data From Materials Project: {formula:NaInBr4,spaceGroup:P2_12_12_1,id:mp-28569} |
| RD_260289055313_000 | computation | Reference Data From Materials Project: {formula:In4Br7,spaceGroup:R-3m,id:mp-568692} |
| RD_260410903235_000 | computation | Reference Data From Materials Project: {formula:HgBrO3,spaceGroup:C2/c,id:mp-27994} |
| RD_261061724653_000 | computation | Reference Data From Materials Project: {formula:H4BrN,spaceGroup:P-43m,id:mp-36248} |
| RD_261869352423_000 | computation | Reference Data From Materials Project: {formula:La3SiBr3,spaceGroup:I4_132,id:mp-29995} |
| RD_261911582440_000 | computation | Reference Data From Materials Project: {formula:PrBr3,spaceGroup:P6_3/m,id:mp-23221} |
| RD_262573127436_000 | computation | BrNa 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_262757389974_000 | computation | Reference Data From Materials Project: {formula:SmBrO,spaceGroup:P4/nmm,id:mp-29327} |
| RD_262989275593_000 | computation | BrRb in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_264460237270_000 | computation | Reference Data From Materials Project: {formula:K2SnBr6,spaceGroup:P2_1/c,id:mp-574040} |
| RD_265081655245_000 | computation | Reference Data From Materials Project: {formula:Tl6SBr4,spaceGroup:P4/mnc,id:mp-28518} |
| RD_265100193209_000 | computation | Reference Data From Materials Project: {formula:NbSeBr3,spaceGroup:P2/c,id:mp-23498} |
| RD_265126649633_000 | computation | Reference Data From Materials Project: {formula:Tb4BBr6,spaceGroup:C2/c,id:mp-29847} |
| RD_265195005228_000 | computation | Reference Data From Materials Project: {formula:Ta2Bi4Br7O2,spaceGroup:P4/mnc,id:mp-554564} |
| RD_265212566455_000 | computation | Reference Data From Materials Project: {formula:Ca2AlH10BrO8,spaceGroup:P-1,id:mp-695316} |
| RD_265271972170_000 | computation | Reference Data From Materials Project: {formula:CuW3Br7,spaceGroup:Pn3,id:mp-23370} |
| RD_266310112985_000 | computation | Reference Data From Materials Project: {formula:Bi9AuBr9,spaceGroup:P2_1/c,id:mp-684015} |
| RD_266349187554_000 | computation | BrRb 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_267040968880_000 | computation | Reference Data From Materials Project: {formula:Li2MnBr4,spaceGroup:P4_122,id:mp-676308} |
| RD_267130574431_000 | computation | Reference Data From Materials Project: {formula:Tb5C2Br9,spaceGroup:P2_1/c,id:mp-30229} |
| RD_267367672172_000 | computation | Reference Data From Materials Project: {formula:Cs3B6H12S4Br,spaceGroup:P6_3mc,id:mp-695929} |
| RD_267525350159_000 | computation | Reference Data From Materials Project: {formula:ReH8(Br3N)2,spaceGroup:Fm-3m,id:mp-505791} |
| RD_267866615587_000 | computation | Reference Data From Materials Project: {formula:ZrBrN,spaceGroup:Pmmn,id:mp-570157} |
| RD_269079551361_000 | computation | Reference Data From Materials Project: {formula:Bi4Br2O5,spaceGroup:P2_1,id:mp-23544} |
| RD_269350589263_000 | computation | Reference Data From Materials Project: {formula:Ba3Y2Br12,spaceGroup:P2_1/c,id:mp-768402} |
| RD_269446327516_000 | computation | Reference Data From Materials Project: {formula:CeBrO,spaceGroup:P4/nmm,id:mp-754112} |
| RD_271263081095_000 | computation | Reference Data From Materials Project: {formula:Nb2Br5,spaceGroup:Ccmm,id:mp-568616} |
| RD_272013415697_000 | computation | Reference Data From Materials Project: {formula:Tb4SiBr6,spaceGroup:Pmcb,id:mp-30283} |
| RD_272119769228_000 | computation | Reference Data From Materials Project: {formula:InBi37Br48,spaceGroup:P6_3,id:mp-680466} |
| RD_273115548104_000 | computation | Reference Data From Materials Project: {formula:BaY2Br8,spaceGroup:C2/c,id:mp-754116} |
| RD_273869341561_000 | computation | Reference Data From Materials Project: {formula:NaAs4BrO6,spaceGroup:Pmcn,id:mp-559786} |
| RD_274328428922_000 | computation | Reference Data From Materials Project: {formula:CuSe3Br,spaceGroup:Pncm,id:mp-28741} |
| RD_274740335657_000 | computation | Reference Data From Materials Project: {formula:Zr2HBr2,spaceGroup:C2/m,id:mp-642803} |
| RD_274942808539_000 | computation | Reference Data From Materials Project: {formula:UBr5,spaceGroup:P-1,id:mp-29263} |
| RD_275256883278_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_275631155025_000 | computation | Reference Data From Materials Project: {formula:MnH16C4(Br2N)2,spaceGroup:P2_1/c,id:mp-24824} |
| RD_275633649984_000 | computation | Reference Data From Materials Project: {formula:Na3GdBr6,spaceGroup:P2_1/c,id:mp-619747} |
| RD_275636638744_000 | computation | Reference Data From Materials Project: {formula:RbW3Br7,spaceGroup:C2/c,id:mp-680048} |
| RD_277170864403_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_278108804259_000 | computation | Reference Data From Materials Project: {formula:SnH46C18(Br2N)2,spaceGroup:P2_1/c,id:mp-570929} |
| RD_278129073232_000 | computation | BrK 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_278550766792_000 | computation | Reference Data From Materials Project: {formula:Br,spaceGroup:Im-3m,id:mp-673171} |
| RD_278693357750_000 | computation | Reference Data From Materials Project: {formula:KSn2Br5,spaceGroup:I4/mcm,id:mp-23541} |
| RD_278841449339_000 | computation | Reference Data From Materials Project: {formula:RuBr3,spaceGroup:P6_3/mcm,id:mp-22892} |
| RD_278934504216_000 | computation | BrNa 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_279459111118_000 | computation | Reference Data From Materials Project: {formula:Co5Se4(BrO6)2,spaceGroup:P-1,id:mp-645682} |
| RD_281037513894_000 | computation | Reference Data From Materials Project: {formula:Cs7Cd3Br13,spaceGroup:I4/mcm,id:mp-667295} |
| RD_281545776812_000 | computation | Reference Data From Materials Project: {formula:SbH7(Br2O)3,spaceGroup:P2_1/c,id:mp-695843} |
| RD_283193800627_000 | computation | Reference Data From Materials Project: {formula:K2ReBr6,spaceGroup:Fm-3m,id:mp-23021} |
| RD_283593721552_000 | computation | Reference Data From Materials Project: {formula:LiBr,spaceGroup:Fm-3m,id:mp-23259} |
| RD_285018580299_000 | computation | Reference Data From Materials Project: {formula:RbZnH2Se2BrO6,spaceGroup:P2/c,id:mp-867132} |
| RD_285107278228_000 | computation | BrRb 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_285186300410_000 | computation | Reference Data From Materials Project: {formula:Cs2PtBr6,spaceGroup:Fm-3m,id:mp-30062} |
| RD_285365459445_000 | computation | Reference Data From Materials Project: {formula:Ge19(PBr)4,spaceGroup:P-43n,id:mp-27625} |
| RD_285953585690_000 | computation | Reference Data From Materials Project: {formula:Ta2Br5,spaceGroup:Ia-3d,id:mp-680077} |
| RD_286540065256_000 | computation | Reference Data From Materials Project: {formula:Bi(TeBr2)2,spaceGroup:P-1,id:mp-29127} |
| RD_287321267765_000 | computation | Reference Data From Materials Project: {formula:Ba5Re3BrO15,spaceGroup:P6_3cm,id:mp-556721} |
| RD_287532708256_000 | computation | Reference Data From Materials Project: {formula:ScBrO,spaceGroup:Pmmn,id:mp-546279} |
| RD_289549432030_000 | computation | Reference Data From Materials Project: {formula:SrThBr6,spaceGroup:Pmmb,id:mp-29016} |
| RD_289972329666_000 | computation | Reference Data From Materials Project: {formula:TlBr,spaceGroup:Pm-3m,id:mp-22875} |
| RD_290046288787_000 | computation | Reference Data From Materials Project: {formula:TiBr2,spaceGroup:P-3m1,id:mp-27785} |
| RD_290494735787_000 | computation | Reference Data From Materials Project: {formula:V4S9Br4,spaceGroup:P4/nmm,id:mp-559911} |
| RD_290828724046_000 | computation | Reference Data From Materials Project: {formula:HgH12C2(Br2N3)2,spaceGroup:C2/c,id:mp-23835} |
| RD_290902197658_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_291163793155_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_291187831735_000 | computation | Reference Data From Materials Project: {formula:KBr,spaceGroup:Fm-3m,id:mp-23251} |
| RD_291198330257_000 | computation | Reference Data From Materials Project: {formula:BSBr,spaceGroup:P2_1/c,id:mp-555279} |
| RD_292241379737_000 | computation | Reference Data From Materials Project: {formula:Li2H2BrN,spaceGroup:Pnma,id:mp-703306} |
| RD_292317483403_000 | computation | Reference Data From Materials Project: {formula:HfBrN,spaceGroup:R-3m,id:mp-30302} |
| RD_292619982330_000 | computation | Reference Data From Materials Project: {formula:TiBr3,spaceGroup:R-3,id:mp-571065} |
| RD_292623058190_000 | computation | Reference Data From Materials Project: {formula:InSn2Br5,spaceGroup:I4/mcm,id:mp-23507} |
| RD_294005051162_000 | computation | Reference Data From Materials Project: {formula:CuH12(BrO6)2,spaceGroup:Pa3,id:mp-740737} |
| RD_294863488667_000 | computation | Reference Data From Materials Project: {formula:TlFeBr4,spaceGroup:Pnan,id:mp-29423} |
| RD_295497453405_000 | computation | Reference Data From Materials Project: {formula:La5In3Br,spaceGroup:P6_3/mcm,id:mp-631961} |
| RD_296641994592_000 | computation | BrNa 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_296889486440_000 | computation | Reference Data From Materials Project: {formula:K2TeBr6,spaceGroup:P2_1/c,id:mp-22963} |
| RD_296932702331_000 | computation | Reference Data From Materials Project: {formula:LuTa6Br13O3,spaceGroup:I4_122,id:mp-662606} |
| RD_297476013179_000 | computation | Reference Data From Materials Project: {formula:CdH6C(BrN)3,spaceGroup:C2/c,id:mp-695891} |
| RD_298337312468_000 | computation | Reference Data From Materials Project: {formula:Li2MgBr4,spaceGroup:Cmmm,id:mp-29009} |
| RD_298711560298_000 | computation | Reference Data From Materials Project: {formula:CsCu2Br3,spaceGroup:Ccmm,id:mp-23017} |
| RD_299220992253_000 | computation | Reference Data From Materials Project: {formula:NdSBr,spaceGroup:P2_1/c,id:mp-27180} |
| RD_299747497676_000 | computation | Reference Data From Materials Project: {formula:LiDy2Br5,spaceGroup:C2/c,id:mp-29431} |
| RD_301328993505_000 | computation | Reference Data From Materials Project: {formula:CuBr,spaceGroup:Fm-3m,id:mp-570354} |
| RD_303077084590_000 | computation | Reference Data From Materials Project: {formula:DyBr2,spaceGroup:P4_2/mnm,id:mp-864986} |
| RD_303930286076_000 | computation | Reference Data From Materials Project: {formula:K2PtC4(BrN2)2,spaceGroup:P2_1/c,id:mp-568299} |
| RD_305051531526_000 | computation | Reference Data From Materials Project: {formula:Li4Al3Ge3BrO12,spaceGroup:P-43n,id:mp-554733} |
| RD_305154268285_000 | computation | Reference Data From Materials Project: {formula:NaMo6Br13,spaceGroup:P-1,id:mp-680472} |
| RD_305343267472_000 | computation | Reference Data From Materials Project: {formula:Li6Br3N,spaceGroup:P2_1/c,id:mp-569085} |
| RD_305452995692_000 | computation | Reference Data From Materials Project: {formula:Rb2SnBr6,spaceGroup:Fm-3m,id:mp-569028} |
| RD_305486260295_000 | computation | Reference Data From Materials Project: {formula:Li2MnBr4,spaceGroup:Cmmm,id:mp-28250} |
| RD_307035453955_000 | computation | Reference Data From Materials Project: {formula:Li2UBr6,spaceGroup:P-31c,id:mp-531472} |
| RD_307096364938_000 | computation | Reference Data From Materials Project: {formula:Ce3GaBr3,spaceGroup:Pm-3m,id:mp-569898} |
| RD_307144353244_000 | computation | Reference Data From Materials Project: {formula:La5Sn3Br,spaceGroup:P6_3/mcm,id:mp-569350} |
| RD_308285165165_000 | computation | Reference Data From Materials Project: {formula:Pd(Se3Br)2,spaceGroup:P-1,id:mp-568146} |
| RD_309272540272_000 | computation | Reference Data From Materials Project: {formula:W3Br7,spaceGroup:Pn3,id:mp-28880} |
| RD_309707095559_000 | computation | Reference Data From Materials Project: {formula:TlHg3Sb2Br3,spaceGroup:Pcmb,id:mp-571582} |
| RD_310122493219_000 | computation | Reference Data From Materials Project: {formula:Ba3Fe2Br2O5,spaceGroup:I2_13,id:mp-565905} |
| RD_310411411749_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_310613800914_000 | computation | Reference Data From Materials Project: {formula:La2Br5,spaceGroup:P2_1/m,id:mp-28571} |
| RD_310735030835_000 | computation | Reference Data From Materials Project: {formula:Br3N,spaceGroup:Fm-3m,id:mp-36891} |
| RD_311032772771_000 | computation | Reference Data From Materials Project: {formula:Ta3(Se4Br3)2,spaceGroup:P-1,id:mp-29589} |
| RD_311395698087_000 | computation | Reference Data From Materials Project: {formula:CuBr,spaceGroup:P6_3/mmc,id:mp-23227} |
| RD_311556607834_000 | computation | Reference Data From Materials Project: {formula:Hg4As2Br3,spaceGroup:Pa3,id:mp-29078} |
| RD_311734001821_000 | computation | Reference Data From Materials Project: {formula:TiBr4,spaceGroup:P2_1/c,id:mp-27634} |
| RD_311746579813_000 | computation | Reference Data From Materials Project: {formula:Sr9La5Br33,spaceGroup:P-1,id:mp-851109} |
| RD_312123056746_000 | computation | Reference Data From Materials Project: {formula:MgH12(BrO6)2,spaceGroup:Pa3,id:mp-24006} |
| RD_312217337025_000 | computation | Reference Data From Materials Project: {formula:Ag10Te4Br3,spaceGroup:Ccmm,id:mp-568392} |
| RD_313962130586_000 | computation | Reference Data From Materials Project: {formula:Hg2Pb(SBr)2,spaceGroup:P2_1/c,id:mp-622294} |
| RD_314117548087_000 | computation | Reference Data From Materials Project: {formula:BaBrF,spaceGroup:P4/nmm,id:mp-23070} |
| RD_315111919002_000 | computation | Reference Data From Materials Project: {formula:SbSe(BrF2)3,spaceGroup:P2_12_12_1,id:mp-561328} |
| RD_315322958923_000 | computation | Reference Data From Materials Project: {formula:Hg4As2Br3,spaceGroup:Pa3,id:mp-29078} |
| RD_316722438220_000 | computation | Reference Data From Materials Project: {formula:La4C2Br5,spaceGroup:Immm,id:mp-569873} |
| RD_316735102615_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:P-3m1,id:mp-569912} |
| RD_316964328730_000 | computation | Reference Data From Materials Project: {formula:TcBr3,spaceGroup:Pmmn,id:mp-867360} |
| RD_317057628010_000 | computation | Reference Data From Materials Project: {formula:Ba2YBr7,spaceGroup:P2_1/c,id:mp-768385} |
| RD_317242308029_000 | computation | Reference Data From Materials Project: {formula:UBr3,spaceGroup:P6_3/m,id:mp-23255} |
| RD_317913116423_000 | computation | Reference Data From Materials Project: {formula:Nb(SeBr)2,spaceGroup:P-1,id:mp-541667} |
| RD_318178748231_000 | computation | Reference Data From Materials Project: {formula:LiH2BrO5,spaceGroup:C2/c,id:mp-695992} |
| RD_318386843265_000 | computation | Reference Data From Materials Project: {formula:Mo3S3Br,spaceGroup:R-3,id:mp-29231} |
| RD_318595426856_000 | computation | Reference Data From Materials Project: {formula:Br,spaceGroup:Ccme,id:mp-23154} |
| RD_320492945446_000 | computation | Reference Data From Materials Project: {formula:Rb3BrO,spaceGroup:Pm-3m,id:mp-30055} |
| RD_321479539404_000 | computation | Reference Data From Materials Project: {formula:Cu3Te2(BrO3)2,spaceGroup:C2/m,id:mp-572313} |
| RD_321605832454_000 | computation | Reference Data From Materials Project: {formula:Ba5Si(Br3O2)2,spaceGroup:C2/c,id:mp-553884} |
| RD_322013169416_000 | computation | Reference Data From Materials Project: {formula:AgBrO4,spaceGroup:I4_1/a,id:mp-756342} |
| RD_322326843323_000 | computation | Reference Data From Materials Project: {formula:RbBrO3,spaceGroup:R3m,id:mp-28872} |
| RD_323994000184_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:P-6m2,id:mp-567974} |
| RD_324920015922_000 | computation | Reference Data From Materials Project: {formula:CsCdBr3,spaceGroup:P6_3/mmc,id:mp-541899} |
| RD_325242733737_000 | computation | Reference Data From Materials Project: {formula:B11H9C(Br3O2)2,spaceGroup:P2_1/c,id:mp-707494} |
| RD_326123212673_000 | computation | Reference Data From Materials Project: {formula:Ba2YBr7,spaceGroup:C2/c,id:mp-752677} |
| RD_327500254758_000 | computation | Reference Data From Materials Project: {formula:Bi3BrO4,spaceGroup:P4/mmm,id:mp-866311} |
| RD_328519033561_000 | computation | Reference Data From Materials Project: {formula:Rb2SbBr6,spaceGroup:Fm-3m,id:mp-866668} |
| RD_330625500865_000 | computation | Reference Data From Materials Project: {formula:K2SeBr6,spaceGroup:Fm-3m,id:mp-23036} |
| RD_330734200507_000 | computation | Reference Data From Materials Project: {formula:Sr4Br6O,spaceGroup:P6_3mc,id:mp-556049} |
| RD_331268739456_000 | computation | Reference Data From Materials Project: {formula:HfBr3,spaceGroup:P6_3/mmc,id:mp-864915} |
| RD_333007941121_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_335373764377_000 | computation | Reference Data From Materials Project: {formula:P3BrCl14,spaceGroup:I4,id:mp-29033} |
| RD_336213469867_000 | computation | Reference Data From Materials Project: {formula:In5Br7,spaceGroup:Cc,id:mp-652621} |
| RD_336738550169_000 | computation | Reference Data From Materials Project: {formula:Na2UBr6,spaceGroup:P-3m1,id:mp-568694} |
| RD_336844173089_000 | computation | Reference Data From Materials Project: {formula:Cs3Bi2Br9,spaceGroup:P-3m1,id:mp-27544} |
| RD_337039661500_000 | computation | Reference Data From Materials Project: {formula:Nd6S4BrN3,spaceGroup:Pmnb,id:mp-559019} |
| RD_338229071349_000 | computation | Reference Data From Materials Project: {formula:Nb6Cd(Br8O9)2,spaceGroup:Fd-3m,id:mp-868020} |
| RD_338307372749_000 | computation | Reference Data From Materials Project: {formula:Zr3(Bi5Br9)2,spaceGroup:P6_3,id:mp-531975} |
| RD_338726086416_000 | computation | Reference Data From Materials Project: {formula:Rb2TeBr6,spaceGroup:I4/m,id:mp-570324} |
| RD_338748013976_000 | computation | Reference Data From Materials Project: {formula:ZnBr2,spaceGroup:R-3m,id:mp-569960} |
| RD_339305902196_000 | computation | Reference Data From Materials Project: {formula:SnHg6(As2Br3)2,spaceGroup:P2_13,id:mp-567185} |
| RD_339674047295_000 | computation | Reference Data From Materials Project: {formula:K2SeBr6,spaceGroup:Fm-3m,id:mp-23036} |
| RD_339813616620_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_340071410136_000 | computation | Reference Data From Materials Project: {formula:SbBr3,spaceGroup:P2_12_12_1,id:mp-27399} |
| RD_340106545037_000 | computation | Reference Data From Materials Project: {formula:Hg2BrN,spaceGroup:P6_3/mmc,id:mp-23354} |
| RD_340715892002_000 | computation | Reference Data From Materials Project: {formula:Cr2PBrO4,spaceGroup:P2_1/c,id:mp-566926} |
| RD_341049010514_000 | computation | Reference Data From Materials Project: {formula:RbTiBr3,spaceGroup:P6_3/mmc,id:mp-569807} |
| RD_341349417393_000 | computation | Reference Data From Materials Project: {formula:RbSbBrF3,spaceGroup:P-1,id:mp-555234} |
| RD_341372833569_000 | computation | Reference Data From Materials Project: {formula:ZrHg3(SeBr3)2,spaceGroup:P2_1/c,id:mp-569970} |
| RD_342138849090_000 | computation | Reference Data From Materials Project: {formula:CeBr3,spaceGroup:P6_3/m,id:mp-569850} |
| RD_342185302553_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_342379351749_000 | computation | Reference Data From Materials Project: {formula:Th6FeBr15,spaceGroup:Im-3m,id:mp-649213} |
| RD_342600050666_000 | computation | Reference Data From Materials Project: {formula:CsSn2Br5,spaceGroup:I4/mcm,id:mp-23467} |
| RD_342985455871_000 | computation | Reference Data From Materials Project: {formula:Cd(W3Br7)2,spaceGroup:Pn3,id:mp-29052} |
| RD_344282616150_000 | computation | Reference Data From Materials Project: {formula:Ag2Br3,spaceGroup:R-3c,id:mp-862982} |
| RD_345598833963_000 | computation | Reference Data From Materials Project: {formula:CuBr,spaceGroup:Pa3,id:mp-23212} |
| RD_346699402882_000 | computation | Reference Data From Materials Project: {formula:YbCsBr3,spaceGroup:Pm-3m,id:mp-568005} |
| RD_348707201346_000 | computation | Reference Data From Materials Project: {formula:RbMnBr3,spaceGroup:P6_3cm,id:mp-568231} |
| RD_348928384510_000 | computation | Reference Data From Materials Project: {formula:Na3Al3Si3AgBrO12,spaceGroup:Cc,id:mp-43068} |
| RD_349351408610_000 | computation | BrCs in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_350134070181_000 | computation | Reference Data From Materials Project: {formula:BiSBr,spaceGroup:Pmnb,id:mp-23324} |
| RD_351659500006_000 | computation | Reference Data From Materials Project: {formula:VBr3,spaceGroup:P6_3/mmc,id:mp-865473} |
| RD_351664649289_000 | computation | Reference Data From Materials Project: {formula:BPd2Br,spaceGroup:F-43m,id:mp-631580} |
| RD_352601198521_000 | computation | Reference Data From Materials Project: {formula:TlFeBr3,spaceGroup:P6_3cm,id:mp-568553} |
| RD_352975621371_000 | computation | Reference Data From Materials Project: {formula:Nb24I35Br9,spaceGroup:P1,id:mp-686026} |
| RD_353052662172_000 | computation | Reference Data From Materials Project: {formula:Ba5P3BrO12,spaceGroup:P6_3/m,id:mp-561125} |
| RD_353166817115_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_353305095613_000 | computation | Reference Data From Materials Project: {formula:CuTeBr,spaceGroup:Fddd,id:mp-568778} |
| RD_354513143724_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_354996580554_000 | computation | Reference Data From Materials Project: {formula:NaBrO3,spaceGroup:P2_13,id:mp-23339} |
| RD_355721359876_000 | computation | Reference Data From Materials Project: {formula:TlFeBr3,spaceGroup:P6_3cm,id:mp-568553} |
| RD_357380637195_000 | computation | Reference Data From Materials Project: {formula:KBrO4,spaceGroup:Pmcn,id:mp-27428} |
| RD_357590880920_000 | computation | Reference Data From Materials Project: {formula:Cd(W3Br7)2,spaceGroup:Pn3,id:mp-29052} |
| RD_358780942551_000 | computation | Reference Data From Materials Project: {formula:Pr6CoBr10,spaceGroup:P-1,id:mp-570965} |
| RD_360237527248_000 | computation | Reference Data From Materials Project: {formula:Re(TeBr2)2,spaceGroup:I-4,id:mp-662556} |
| RD_360512323633_000 | computation | Reference Data From Materials Project: {formula:Na2Pr4Br9NO,spaceGroup:P2_1,id:mp-684783} |
| RD_362093725706_000 | computation | Reference Data From Materials Project: {formula:BrF5,spaceGroup:Ccm2_1,id:mp-27987} |
| RD_364698734010_000 | computation | Reference Data From Materials Project: {formula:MnSbSe2Br,spaceGroup:Pmnb,id:mp-567478} |
| RD_364784487322_000 | computation | Reference Data From Materials Project: {formula:YbBr2,spaceGroup:Pmnn,id:mp-22882} |
| RD_365494436815_000 | computation | Reference Data From Materials Project: {formula:H8C2SeS2(BrN2)2,spaceGroup:P2_1/c,id:mp-707239} |
| RD_366488587281_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_366710826813_000 | computation | Reference Data From Materials Project: {formula:CaH12(BrO3)2,spaceGroup:P321,id:mp-24044} |
| RD_366868407020_000 | computation | Reference Data From Materials Project: {formula:CuBr,spaceGroup:Fm-3m,id:mp-570354} |
| RD_367376836242_000 | computation | Reference Data From Materials Project: {formula:InBr3,spaceGroup:C2/m,id:mp-570219} |
| RD_367879508610_000 | computation | Reference Data From Materials Project: {formula:IrOs2Br,spaceGroup:Fm-3m,id:mp-631480} |
| RD_368134897553_000 | computation | Reference Data From Materials Project: {formula:Rb3Sb2Br9,spaceGroup:P-3m1,id:mp-28222} |
| RD_368747765826_000 | computation | Reference Data From Materials Project: {formula:TiBr4,spaceGroup:Pa3,id:mp-569814} |
| RD_370527793577_000 | computation | Reference Data From Materials Project: {formula:Sm4Br6O,spaceGroup:P6_3mc,id:mp-554768} |
| RD_371353728255_000 | computation | Reference Data From Materials Project: {formula:Rb4Br2O,spaceGroup:I4/mmm,id:mp-30004} |
| RD_372804275329_000 | computation | Reference Data From Materials Project: {formula:CuSb2BrO3,spaceGroup:Cmc2_1,id:mp-559587} |
| RD_373280518764_000 | computation | Reference Data From Materials Project: {formula:KBr,spaceGroup:Pm-3m,id:mp-570891} |
| RD_373479156275_000 | computation | Reference Data From Materials Project: {formula:DySBr,spaceGroup:Pmmn,id:mp-28928} |
| RD_373677877450_000 | computation | Reference Data From Materials Project: {formula:DyBi2BrO4,spaceGroup:P4/mmm,id:mp-552992} |
| RD_374464909212_000 | computation | Reference Data From Materials Project: {formula:KAs4BrO6,spaceGroup:P6/mmm,id:mp-23083} |
| RD_375247355965_000 | computation | Reference Data From Materials Project: {formula:CsCrBr3,spaceGroup:P6_3mc,id:mp-27179} |
| RD_377846125421_000 | computation | Reference Data From Materials Project: {formula:W3Br8,spaceGroup:Ccme,id:mp-27765} |
| RD_377919329449_000 | computation | Reference Data From Materials Project: {formula:IrPbBr,spaceGroup:F-43m,id:mp-631478} |
| RD_377997871940_000 | computation | Reference Data From Materials Project: {formula:H6CSBrN3,spaceGroup:Pbca,id:mp-703380} |
| RD_378835913793_000 | computation | Reference Data From Materials Project: {formula:Fe3PWC15BrO15,spaceGroup:P2_1/c,id:mp-704755} |
| RD_378860682951_000 | computation | Reference Data From Materials Project: {formula:Hg3Te2IBr,spaceGroup:C2,id:mp-571177} |
| RD_380227116380_000 | computation | Reference Data From Materials Project: {formula:Cr4Si2Br2O7,spaceGroup:Pc,id:mp-566007} |
| RD_381140307576_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_382261828006_000 | computation | Reference Data From Materials Project: {formula:LiH6BrO7,spaceGroup:P6_3mc,id:mp-23985} |
| RD_383294645669_000 | computation | Reference Data From Materials Project: {formula:Tl3PbBr5,spaceGroup:P2_12_12_1,id:mp-27451} |
| RD_383913954571_000 | computation | Reference Data From Materials Project: {formula:CrCuH18Br5N6,spaceGroup:Fd-3c,id:mp-24429} |
| RD_383950921918_000 | computation | Reference Data From Materials Project: {formula:BiBr3,spaceGroup:P2_1/c,id:mp-752602} |
| RD_386202631149_000 | computation | Reference Data From Materials Project: {formula:H7BrO3,spaceGroup:Cc,id:mp-625555} |
| RD_386257739089_000 | computation | Reference Data From Materials Project: {formula:ReTe3Br5,spaceGroup:P2_1,id:mp-669328} |
| RD_386273254264_000 | computation | Reference Data From Materials Project: {formula:In7Br9,spaceGroup:Pa3,id:mp-28988} |
| RD_387032443205_000 | computation | Reference Data From Materials Project: {formula:La3NiBr3,spaceGroup:I4_122,id:mp-866714} |
| RD_387980904704_000 | computation | Reference Data From Materials Project: {formula:KBi6BrO9,spaceGroup:Ia-3d,id:mp-555393} |
| RD_389149202610_000 | computation | Br in AFLOW crystal prototype A_oI2_71_a. 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_389217541543_000 | computation | Reference Data From Materials Project: {formula:CsBr,spaceGroup:Pm-3m,id:mp-22906} |
| RD_390558195191_000 | computation | Reference Data From Materials Project: {formula:CuTe2Br,spaceGroup:P2_1/c,id:mp-31036} |
| RD_390638227579_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:Cm,id:mp-568791} |
| RD_391099071010_000 | computation | Reference Data From Materials Project: {formula:InFeBr3,spaceGroup:Pmnb,id:mp-617426} |
| RD_391490354492_000 | computation | Reference Data From Materials Project: {formula:Sb4Br2O5,spaceGroup:P2_1/c,id:mp-27700} |
| RD_392099215307_000 | computation | Reference Data From Materials Project: {formula:Y4OsBr4,spaceGroup:C2/c,id:mp-28744} |
| RD_392778266172_000 | computation | Reference Data From Materials Project: {formula:Cs2AgBr3,spaceGroup:Pmnb,id:mp-640052} |
| RD_392988858430_000 | computation | Reference Data From Materials Project: {formula:CsBrO4,spaceGroup:I4_1/amd,id:mp-29577} |
| RD_393693742959_000 | computation | Reference Data From Materials Project: {formula:TlBrO3,spaceGroup:R3m,id:mp-29798} |
| RD_393837941700_000 | computation | Reference Data From Materials Project: {formula:Nd4Br9,spaceGroup:Pc,id:mp-570534} |
| RD_394668632007_000 | computation | Reference Data From Materials Project: {formula:Pr3Si2S8Br,spaceGroup:C2/c,id:mp-560468} |
| RD_396887635317_000 | computation | Reference Data From Materials Project: {formula:Tl3PbBr5,spaceGroup:P4_1,id:mp-570753} |
| RD_398565449081_000 | computation | Reference Data From Materials Project: {formula:CeBrO,spaceGroup:R-3m,id:mp-755464} |
| RD_398687662260_000 | computation | Reference Data From Materials Project: {formula:Bi9Rh2Br3,spaceGroup:P2_1/m,id:mp-680173} |
| RD_398799169717_000 | computation | Reference Data From Materials Project: {formula:CuBr2,spaceGroup:C2/m,id:mp-23219} |
| RD_398839125184_000 | computation | Reference Data From Materials Project: {formula:Ba2YBr7,spaceGroup:C2/c,id:mp-768427} |
| RD_399215680768_000 | computation | Reference Data From Materials Project: {formula:CBrN,spaceGroup:Pmnm,id:mp-27989} |
| RD_400170875909_000 | computation | Reference Data From Materials Project: {formula:Th6CoBr15,spaceGroup:Im-3m,id:mp-28167} |
| RD_400197204324_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_402595302220_000 | computation | Reference Data From Materials Project: {formula:MnBr2,spaceGroup:R-3m,id:mp-569843} |
| RD_402830120234_000 | computation | Reference Data From Materials Project: {formula:Tl3PdBr5,spaceGroup:Pbca,id:mp-31287} |
| RD_402851691448_000 | computation | Reference Data From Materials Project: {formula:K2HgBr2(NO6)2,spaceGroup:Pmnn,id:mp-561222} |
| RD_403270359164_000 | computation | Reference Data From Materials Project: {formula:Cu3As2H16C16Br3(NO)2,spaceGroup:P-1,id:mp-605172} |
| RD_403515261962_000 | computation | Reference Data From Materials Project: {formula:GaSeBr7,spaceGroup:Pc,id:mp-23376} |
| RD_404507224777_000 | computation | Reference Data From Materials Project: {formula:MoSBr,spaceGroup:F-43m,id:mp-554769} |
| RD_406713027950_000 | computation | Reference Data From Materials Project: {formula:Rb2Hg2PdBr8,spaceGroup:C2/m,id:mp-567515} |
| RD_406836212979_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_408224943844_000 | computation | Reference Data From Materials Project: {formula:KZnH4Br3O2,spaceGroup:P2_1/c,id:mp-720912} |
| RD_408285236116_000 | computation | Reference Data From Materials Project: {formula:NbTe7Br5O,spaceGroup:Pcaa,id:mp-555275} |
| RD_408612876816_000 | computation | BrRb 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_409131576822_000 | computation | Reference Data From Materials Project: {formula:K2TeBr6,spaceGroup:Fm-3m,id:mp-23505} |
| RD_409167248191_000 | computation | Reference Data From Materials Project: {formula:SrBiBrO2,spaceGroup:Cmcm,id:mp-552234} |
| RD_409878826842_000 | computation | Reference Data From Materials Project: {formula:FeTeBr7,spaceGroup:P1,id:mp-540998} |
| RD_409883434150_000 | computation | Reference Data From Materials Project: {formula:TeS7Br2,spaceGroup:Pmnb,id:mp-683875} |
| RD_410681317298_000 | computation | Reference Data From Materials Project: {formula:BP4(SBr)3,spaceGroup:P2_1/m,id:mp-867154} |
| RD_412296962938_000 | computation | Reference Data From Materials Project: {formula:EuBr2,spaceGroup:P4/n,id:mp-23311} |
| RD_412738912875_000 | computation | Reference Data From Materials Project: {formula:K2ZnBr4,spaceGroup:P2_1/m,id:mp-23495} |
| RD_413240906808_000 | computation | Reference Data From Materials Project: {formula:In4Br7,spaceGroup:C2/c,id:mp-680760} |
| RD_413283273181_000 | computation | Reference Data From Materials Project: {formula:Mo2P3Pb2BrO15,spaceGroup:F2dd,id:mp-705127} |
| RD_413355368345_000 | computation | Reference Data From Materials Project: {formula:CdBr2,spaceGroup:R-3m,id:mp-568690} |
| RD_414243218106_000 | computation | Reference Data From Materials Project: {formula:Te5As2Br4O5F26,spaceGroup:P-1,id:mp-680183} |
| RD_414481262699_000 | computation | Reference Data From Materials Project: {formula:Cs3Cr2Br9,spaceGroup:P6_3/mmc,id:mp-23451} |
| RD_414712724739_000 | computation | Reference Data From Materials Project: {formula:Ca2BrN,spaceGroup:R-3m,id:mp-23009} |
| RD_414899234761_000 | computation | Reference Data From Materials Project: {formula:H5BrO2,spaceGroup:P2_1/c,id:mp-625528} |
| RD_415182885730_000 | computation | Reference Data From Materials Project: {formula:Nb12Br17F13,spaceGroup:P1,id:mp-676330} |
| RD_415499176702_000 | computation | Reference Data From Materials Project: {formula:CsNb4Br11,spaceGroup:Pcmm,id:mp-569853} |
| RD_415725330540_000 | computation | Reference Data From Materials Project: {formula:CsPbBr3,spaceGroup:Pbnm,id:mp-567629} |
| RD_417535641510_000 | computation | Reference Data From Materials Project: {formula:CsBr,spaceGroup:Pm-3m,id:mp-22906} |
| RD_418491051739_000 | computation | Reference Data From Materials Project: {formula:NaH12C4S2BrO2,spaceGroup:P2_1/c,id:mp-555975} |
| RD_418634559245_000 | computation | Reference Data From Materials Project: {formula:Ge(BrF5)2,spaceGroup:P2_1/c,id:mp-27218} |
| RD_420920774079_000 | computation | Reference Data From Materials Project: {formula:KBr,spaceGroup:Pm-3m,id:mp-570891} |
| RD_421093231817_000 | computation | Reference Data From Materials Project: {formula:HgH16(Br3N2)2,spaceGroup:P2_1/c,id:mp-604295} |
| RD_421104917679_000 | computation | Reference Data From Materials Project: {formula:MnBr2,spaceGroup:P-3m1,id:mp-28306} |
| RD_421650829013_000 | computation | Reference Data From Materials Project: {formula:K2IrCBr5O,spaceGroup:Pcmn,id:mp-648833} |
| RD_422258419797_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_422268110217_000 | computation | Reference Data From Materials Project: {formula:Ba3LaBr9,spaceGroup:Pc,id:mp-772024} |
| RD_423245073128_000 | computation | Reference Data From Materials Project: {formula:H9BrO4,spaceGroup:P2_1,id:mp-625614} |
| RD_423247453370_000 | computation | Reference Data From Materials Project: {formula:Ce4C2Br5,spaceGroup:Immm,id:mp-574262} |
| RD_424921572478_000 | computation | Reference Data From Materials Project: {formula:Cs2SnBr6,spaceGroup:Fm-3m,id:mp-641923} |
| RD_426238369333_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_426919871205_000 | computation | Reference Data From Materials Project: {formula:Ti(AlBr4)2,spaceGroup:C2/c,id:mp-541826} |
| RD_427262433949_000 | computation | Reference Data From Materials Project: {formula:K2SnBr6,spaceGroup:Fm-3m,id:mp-568333} |
| RD_427420761634_000 | computation | Reference Data From Materials Project: {formula:CuIrBr,spaceGroup:F-43m,id:mp-631427} |
| RD_427708034925_000 | computation | Reference Data From Materials Project: {formula:AlSeBr3N,spaceGroup:P2_1/c,id:mp-567060} |
| RD_428838493285_000 | computation | Reference Data From Materials Project: {formula:Ce2SbS5Br,spaceGroup:Pmnb,id:mp-629511} |
| RD_429041951920_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_429339592565_000 | computation | Reference Data From Materials Project: {formula:Mo3H9Br3(ClO)4,spaceGroup:P2_1/c,id:mp-744213} |
| RD_429814123480_000 | computation | Reference Data From Materials Project: {formula:H6AuBrN2,spaceGroup:Pnma,id:mp-733613} |
| RD_429993718861_000 | computation | Reference Data From Materials Project: {formula:Re3S4Br,spaceGroup:P2_1/c,id:mp-652046} |
| RD_430351995734_000 | computation | Reference Data From Materials Project: {formula:Sc7CBr12,spaceGroup:R3,id:mp-504921} |
| RD_431095272833_000 | computation | Reference Data From Materials Project: {formula:CaZn2H12(BrO)6,spaceGroup:C2/m,id:mp-722941} |
| RD_431924908233_000 | computation | Reference Data From Materials Project: {formula:Cu2Te2Br2O5,spaceGroup:P-4,id:mp-542807} |
| RD_432354521906_000 | computation | Reference Data From Materials Project: {formula:TbBr3,spaceGroup:P6_3/mmc,id:mp-867247} |
| RD_433158077005_000 | computation | Reference Data From Materials Project: {formula:NiRuBr2,spaceGroup:Fm-3m,id:mp-631488} |
| RD_433438391562_000 | computation | Reference Data From Materials Project: {formula:CoBH18Br2(N3F2)2,spaceGroup:P2_1/c,id:mp-569520} |
| RD_433934846566_000 | computation | Reference Data From Materials Project: {formula:Rb3BiBr6,spaceGroup:Pbnm,id:mp-27147} |
| RD_435197036723_000 | computation | Reference Data From Materials Project: {formula:In7Br9,spaceGroup:Pa3,id:mp-28988} |
| RD_437457758057_000 | computation | Reference Data From Materials Project: {formula:MnSbSe2Br,spaceGroup:Pmcb,id:mp-655834} |
| RD_437551136237_000 | computation | Reference Data From Materials Project: {formula:BiBr,spaceGroup:C2/m,id:mp-568758} |
| RD_437754109386_000 | computation | Reference Data From Materials Project: {formula:LaBr3,spaceGroup:P6_3/m,id:mp-23263} |
| RD_438321655083_000 | computation | Reference Data From Materials Project: {formula:TbH2Br,spaceGroup:R-3m,id:mp-642807} |
| RD_438931319834_000 | computation | Reference Data From Materials Project: {formula:IBr,spaceGroup:Cmcm,id:mp-27639} |
| RD_439334838796_000 | computation | Reference Data From Materials Project: {formula:BrClO,spaceGroup:R-3,id:mp-755831} |
| RD_440273584164_000 | computation | Reference Data From Materials Project: {formula:Hg3AsS4Br,spaceGroup:P6_3mc,id:mp-555074} |
| RD_441477069024_000 | computation | Reference Data From Materials Project: {formula:AgBr,spaceGroup:P2_1/m,id:mp-570301} |
| RD_443311486144_000 | computation | Reference Data From Materials Project: {formula:Hg3AsSe4Br,spaceGroup:P6_3mc,id:mp-567949} |
| RD_445106716884_000 | computation | Reference Data From Materials Project: {formula:TlFeBr3,spaceGroup:Pmnb,id:mp-504821} |
| RD_445531323708_000 | computation | Reference Data From Materials Project: {formula:HgH10C3Br3N,spaceGroup:P2_1/c,id:mp-571511} |
| RD_446273050255_000 | computation | Reference Data From Materials Project: {formula:S4(BrN)3,spaceGroup:P2_1/c,id:mp-27378} |
| RD_446609679498_000 | computation | Reference Data From Materials Project: {formula:SnHg2(SBr)2,spaceGroup:P2_1/c,id:mp-643460} |
| RD_448420994900_000 | computation | Reference Data From Materials Project: {formula:CrBr3,spaceGroup:R-3,id:mp-27734} |
| RD_448974099389_000 | computation | Reference Data From Materials Project: {formula:BiBr3,spaceGroup:P2_1/c,id:mp-610430} |
| RD_449328415263_000 | computation | Reference Data From Materials Project: {formula:BH11C4BrNF4,spaceGroup:P2_1/m,id:mp-554318} |
| RD_450026767104_000 | computation | Reference Data From Materials Project: {formula:AgW3Br7,spaceGroup:P2_1/c,id:mp-29718} |
| RD_450615842524_000 | computation | Reference Data From Materials Project: {formula:La5Sb3Br,spaceGroup:P6_3/mcm,id:mp-29684} |
| RD_450841823352_000 | computation | Reference Data From Materials Project: {formula:CeSb(SBr)2,spaceGroup:P2_1/c,id:mp-680417} |
| RD_450975906209_000 | computation | Reference Data From Materials Project: {formula:CsCaBr3,spaceGroup:Pm-3m,id:mp-30056} |
| RD_451614474084_000 | computation | Reference Data From Materials Project: {formula:CoH12(BrO6)2,spaceGroup:Pa3,id:mp-744192} |
| RD_451728024642_000 | computation | Reference Data From Materials Project: {formula:Li3ErBr6,spaceGroup:C2/c,id:mp-37873} |
| RD_452128399335_000 | computation | Reference Data From Materials Project: {formula:Ce5C2Br9,spaceGroup:Pmnb,id:mp-623670} |
| RD_452256680656_000 | computation | Reference Data From Materials Project: {formula:MgH6(BrN)2,spaceGroup:Pnam,id:mp-697170} |
| RD_453618230319_000 | computation | Reference Data From Materials Project: {formula:Li6Br3N,spaceGroup:Ibca,id:mp-568365} |
| RD_453652545345_000 | computation | Reference Data From Materials Project: {formula:K2OsBr6,spaceGroup:Fm-3m,id:mp-27835} |
| RD_453735573099_000 | computation | Reference Data From Materials Project: {formula:HgBr2,spaceGroup:P3,id:mp-571558} |
| RD_456623936260_000 | computation | Reference Data From Materials Project: {formula:Rb3Mo2Br9,spaceGroup:P6_3/mmc,id:mp-29459} |
| RD_459007003022_000 | computation | Reference Data From Materials Project: {formula:Ba4Br6O,spaceGroup:P6_3mc,id:mp-555218} |
| RD_459196522457_000 | computation | Reference Data From Materials Project: {formula:H9BrO4,spaceGroup:P2_1,id:mp-625604} |
| RD_459564476717_000 | computation | Reference Data From Materials Project: {formula:CuBr,spaceGroup:P6_3/mmc,id:mp-23227} |
| RD_459780637874_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_461305223902_000 | computation | Reference Data From Materials Project: {formula:TeBrO3F5,spaceGroup:P2_1/c,id:mp-554523} |
| RD_461325931189_000 | computation | Reference Data From Materials Project: {formula:Cs3Sb2Br9,spaceGroup:P-3m1,id:mp-579560} |
| RD_461485206350_000 | computation | Reference Data From Materials Project: {formula:Bi4Te2Br2O9,spaceGroup:P4mm,id:mp-557322} |
| RD_461800385022_000 | computation | Reference Data From Materials Project: {formula:Rb3Os2Br9,spaceGroup:P6_3/mmc,id:mp-30167} |
| RD_461928116147_000 | computation | Reference Data From Materials Project: {formula:Rb3Mo2Br9,spaceGroup:P6_3/mmc,id:mp-29459} |
| RD_462767331632_000 | computation | Reference Data From Materials Project: {formula:Ba4Br6O,spaceGroup:P2_12_12_1,id:mp-779551} |
| RD_463331632062_000 | computation | Reference Data From Materials Project: {formula:MoBr2,spaceGroup:Cmce,id:mp-29555} |
| RD_466036319330_000 | computation | Reference Data From Materials Project: {formula:TaPbBr,spaceGroup:F-43m,id:mp-631423} |
| RD_466772536096_000 | computation | Reference Data From Materials Project: {formula:LaHBr2,spaceGroup:P6_3/mmc,id:mp-696944} |
| RD_468404800366_000 | computation | Reference Data From Materials Project: {formula:BaPb2BrF5,spaceGroup:P4/nmm,id:mp-554116} |
| RD_469055521804_000 | computation | Reference Data From Materials Project: {formula:CuSe2Br,spaceGroup:P2_1/c,id:mp-29567} |
| RD_469082545859_000 | computation | Reference Data From Materials Project: {formula:Li6MgBr8,spaceGroup:Fm-3m,id:mp-29008} |
| RD_469527724742_000 | computation | Reference Data From Materials Project: {formula:B6H10C2SBr,spaceGroup:P2_12_12_1,id:mp-849797} |
| RD_471110149077_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_471143119782_000 | computation | Reference Data From Materials Project: {formula:TlBr,spaceGroup:Fm-3m,id:mp-568560} |
| RD_471184329953_000 | computation | Reference Data From Materials Project: {formula:Li5Br2N,spaceGroup:Immm,id:mp-29025} |
| RD_471449216409_000 | computation | Reference Data From Materials Project: {formula:Cs2Pd(IBr2)2,spaceGroup:C2/m,id:mp-23099} |
| RD_471675110658_000 | computation | Reference Data From Materials Project: {formula:La2PBr2,spaceGroup:P-3m1,id:mp-570988} |
| RD_473192232580_000 | computation | Reference Data From Materials Project: {formula:YbHg6As4Br7,spaceGroup:Pa3,id:mp-567301} |
| RD_473912813808_000 | computation | Reference Data From Materials Project: {formula:Li6Br3N,spaceGroup:Fm-3m,id:mp-27508} |
| RD_474582444604_000 | computation | Reference Data From Materials Project: {formula:TaTeBr9,spaceGroup:P2_1/m,id:mp-29716} |
| RD_474703758803_000 | computation | Reference Data From Materials Project: {formula:RbSn2Br5,spaceGroup:I4/mcm,id:mp-567780} |
| RD_474995540675_000 | computation | Reference Data From Materials Project: {formula:Re3Se4Br,spaceGroup:P2_1/c,id:mp-624200} |
| RD_475650796282_000 | computation | Reference Data From Materials Project: {formula:TaPbBr,spaceGroup:F-43m,id:mp-631423} |
| RD_476418270162_000 | computation | Reference Data From Materials Project: {formula:Sr2BrN,spaceGroup:R-3m,id:mp-23056} |
| RD_477417550108_000 | computation | Reference Data From Materials Project: {formula:ZnH16C4(Br2N)2,spaceGroup:P2_1/c,id:mp-567794} |
| RD_479302749652_000 | computation | Reference Data From Materials Project: {formula:La9Sb16Br3,spaceGroup:P6_3/m,id:mp-567777} |
| RD_479331942065_000 | computation | Reference Data From Materials Project: {formula:CdH4Br3N,spaceGroup:Pmnb,id:mp-541375} |
| RD_480951615516_000 | computation | Reference Data From Materials Project: {formula:Sr5B3BrO9,spaceGroup:C222_1,id:mp-560233} |
| RD_481388485065_000 | computation | Reference Data From Materials Project: {formula:BaBrCl,spaceGroup:Pmnb,id:mp-28049} |
| RD_482518198773_000 | computation | Reference Data From Materials Project: {formula:VBr2O,spaceGroup:Immm,id:mp-32450} |
| RD_483655926502_000 | computation | Reference Data From Materials Project: {formula:Li10BrN3,spaceGroup:P-6m2,id:mp-28989} |
| RD_484839454851_000 | computation | Reference Data From Materials Project: {formula:Zn3B7BrO13,spaceGroup:Pca2_1,id:mp-659217} |
| RD_485163200398_000 | computation | Reference Data From Materials Project: {formula:BrCl,spaceGroup:P6_3mc,id:mp-864928} |
| RD_486514156995_000 | computation | Reference Data From Materials Project: {formula:Sr5P3BrO12,spaceGroup:P6_3/m,id:mp-23141} |
| RD_486546643459_000 | computation | Reference Data From Materials Project: {formula:Rb2TeBr6,spaceGroup:Fm-3m,id:mp-23383} |
| RD_488439308645_000 | computation | Reference Data From Materials Project: {formula:CsCdBr3,spaceGroup:P6_3/mmc,id:mp-541899} |
| RD_491417249720_000 | computation | Reference Data From Materials Project: {formula:Cs3Y2Br9,spaceGroup:R-3c,id:mp-568937} |
| RD_493127986553_000 | computation | Reference Data From Materials Project: {formula:H9BrO4,spaceGroup:P1,id:mp-625661} |
| RD_494063956807_000 | computation | Reference Data From Materials Project: {formula:CsGeBr3,spaceGroup:Pm-3m,id:mp-570223} |
| RD_494273598512_000 | computation | Reference Data From Materials Project: {formula:Rb2ZnBr4,spaceGroup:Pmnb,id:mp-570168} |
| RD_494511376520_000 | computation | Reference Data From Materials Project: {formula:FeH8(BrO2)2,spaceGroup:P2_1/c,id:mp-25531} |
| RD_494529661022_000 | computation | Reference Data From Materials Project: {formula:La10Ga5Br4,spaceGroup:I4/mcm,id:mp-680502} |
| RD_496119178273_000 | computation | Reference Data From Materials Project: {formula:TlBr2,spaceGroup:Pnna,id:mp-27398} |
| RD_496177261181_000 | computation | Reference Data From Materials Project: {formula:Na3SmBr6,spaceGroup:P1,id:mp-685415} |
| RD_496354325963_000 | computation | Reference Data From Materials Project: {formula:TeH18(Br3O4)2,spaceGroup:P2_1/c,id:mp-740696} |
| RD_496356126576_000 | computation | Reference Data From Materials Project: {formula:TiBr3,spaceGroup:P-1,id:mp-28214} |
| RD_498013301304_000 | computation | Reference Data From Materials Project: {formula:Ba4Si3Br2,spaceGroup:P2_1/c,id:mp-30101} |
| RD_498129809169_000 | computation | Reference Data From Materials Project: {formula:Cs2WBr6,spaceGroup:Fm-3m,id:mp-541753} |
| RD_499261215106_000 | computation | Reference Data From Materials Project: {formula:Pr2Br5,spaceGroup:P2_1/m,id:mp-23169} |
| RD_499514960957_000 | computation | Reference Data From Materials Project: {formula:ThBr4,spaceGroup:I4_1/amd,id:mp-23160} |
| RD_501435967257_000 | computation | Reference Data From Materials Project: {formula:CuHgSBr,spaceGroup:Pmcm,id:mp-555267} |
| RD_502209692678_000 | computation | Reference Data From Materials Project: {formula:RbLiBr2,spaceGroup:Ccmm,id:mp-28237} |
| RD_502819386591_000 | computation | Reference Data From Materials Project: {formula:PbBrF,spaceGroup:P4/nmm,id:mp-23008} |
| RD_505607430032_000 | computation | Reference Data From Materials Project: {formula:MgH40C10Br2(N2O)10,spaceGroup:P2_1/c,id:mp-707720} |
| RD_507081032355_000 | computation | Reference Data From Materials Project: {formula:DyBr3,spaceGroup:P6_3/mmc,id:mp-864982} |
| RD_507844614132_000 | computation | Reference Data From Materials Project: {formula:K3Mo2Br9,spaceGroup:P6_3/m,id:mp-570000} |
| RD_508448691156_000 | computation | Reference Data From Materials Project: {formula:Pb3(BrO)2,spaceGroup:Pmcn,id:mp-505284} |
| RD_509061331213_000 | computation | Reference Data From Materials Project: {formula:KBi6BrO9,spaceGroup:Ia-3d,id:mp-555393} |
| RD_510086719692_000 | computation | Reference Data From Materials Project: {formula:BrCl,spaceGroup:P6_3mc,id:mp-864928} |
| RD_511630346198_000 | computation | Reference Data From Materials Project: {formula:Rb3B12H12Br,spaceGroup:R-3m,id:mp-24796} |
| RD_513800513151_000 | computation | Reference Data From Materials Project: {formula:CuBr,spaceGroup:F-43m,id:mp-22913} |
| RD_513818278596_000 | computation | Reference Data From Materials Project: {formula:Ba2CuBrO2,spaceGroup:R-3m,id:mp-552934} |
| RD_517665618802_000 | computation | Reference Data From Materials Project: {formula:Hg3AsSe4Br,spaceGroup:P6_3mc,id:mp-567949} |
| RD_518837130593_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_519014648637_000 | computation | Reference Data From Materials Project: {formula:Rb2HBrO,spaceGroup:P2_1/m,id:mp-24007} |
| RD_519144491074_000 | computation | BrLi 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_519886470816_000 | computation | Reference Data From Materials Project: {formula:La10Al5Br4,spaceGroup:I4/mcm,id:mp-569477} |
| RD_519967761088_000 | computation | Reference Data From Materials Project: {formula:Sr4Br6O,spaceGroup:P4_2/nmc,id:mp-768810} |
| RD_520164411594_000 | computation | Reference Data From Materials Project: {formula:RbBr,spaceGroup:Pm-3m,id:mp-23303} |
| RD_521884383417_000 | computation | Reference Data From Materials Project: {formula:Pr2CBr,spaceGroup:P6_3/mmc,id:mp-568066} |
| RD_523135636845_000 | computation | Reference Data From Materials Project: {formula:SrH2Br2O7,spaceGroup:C2/c,id:mp-24479} |
| RD_524051334783_000 | computation | Reference Data From Materials Project: {formula:BrF3,spaceGroup:Ccm2_1,id:mp-23297} |
| RD_526108813632_000 | computation | Reference Data From Materials Project: {formula:Zr2TeBr12,spaceGroup:P2_1/c,id:mp-28672} |
| RD_527116820786_000 | computation | Reference Data From Materials Project: {formula:GdBi2BrO4,spaceGroup:P4/mmm,id:mp-562809} |
| RD_527717356151_000 | computation | Reference Data From Materials Project: {formula:AgBr,spaceGroup:F-43m,id:mp-866291} |
| RD_528171835723_000 | computation | Reference Data From Materials Project: {formula:AgBr,spaceGroup:Fm-3m,id:mp-23231} |
| RD_528540006617_000 | computation | Reference Data From Materials Project: {formula:BPd2Br,spaceGroup:F-43m,id:mp-631580} |
| RD_528855949705_000 | computation | Reference Data From Materials Project: {formula:W(BrO)2,spaceGroup:P2_1am,id:mp-774146} |
| RD_530585063926_000 | computation | Reference Data From Materials Project: {formula:Pr2CBr,spaceGroup:P6_3/mmc,id:mp-568066} |
| RD_530689398735_000 | computation | Reference Data From Materials Project: {formula:CuH6BrN2,spaceGroup:C2/c,id:mp-866097} |
| RD_531789639095_000 | computation | Reference Data From Materials Project: {formula:AgPb2Br5,spaceGroup:C2/c,id:mp-621612} |
| RD_533019639451_000 | computation | Reference Data From Materials Project: {formula:GdBrO,spaceGroup:P4/nmm,id:mp-29797} |
| RD_533521882843_000 | computation | Reference Data From Materials Project: {formula:Th6CBr14,spaceGroup:Cmce,id:mp-28168} |
| RD_534039259265_000 | computation | Reference Data From Materials Project: {formula:CsBr,spaceGroup:Fm-3m,id:mp-571222} |
| RD_534262109671_000 | computation | Reference Data From Materials Project: {formula:GdCBr,spaceGroup:C2/m,id:mp-567572} |
| RD_534906107173_000 | computation | Reference Data From Materials Project: {formula:Rb2SbBr6,spaceGroup:Fm-3m,id:mp-866668} |
| RD_534964382075_000 | computation | Reference Data From Materials Project: {formula:Cd2P3Br,spaceGroup:C2/c,id:mp-29245} |
| RD_535337207944_000 | computation | Reference Data From Materials Project: {formula:La3GaBr3,spaceGroup:Pm-3m,id:mp-30207} |
| RD_536781290954_000 | computation | Reference Data From Materials Project: {formula:Na8BeAl4Si7(BrO12)2,spaceGroup:P-4,id:mp-43188} |
| RD_537990618337_000 | computation | Reference Data From Materials Project: {formula:KW3Br7,spaceGroup:Pnnn,id:mp-531952} |
| RD_538280867887_000 | computation | Reference Data From Materials Project: {formula:CsI2Br,spaceGroup:Pmcn,id:mp-27662} |
| RD_538326819104_000 | computation | Reference Data From Materials Project: {formula:UP3H10BrO8,spaceGroup:Pbcm,id:mp-740732} |
| RD_538807752428_000 | computation | Reference Data From Materials Project: {formula:HBr,spaceGroup:Ccm2_1,id:mp-632229} |
| RD_539898199660_000 | computation | Reference Data From Materials Project: {formula:Te2Br,spaceGroup:Pmcn,id:mp-27648} |
| RD_540264698031_000 | computation | Reference Data From Materials Project: {formula:Yb4Br6O,spaceGroup:P6_3mc,id:mp-850213} |
| RD_544287000787_000 | computation | Reference Data From Materials Project: {formula:Ta3Br7,spaceGroup:Cmce,id:mp-29412} |
| RD_545964121344_000 | computation | Reference Data From Materials Project: {formula:Sr2Cu2Te(BrO3)2,spaceGroup:P2_1/c,id:mp-555814} |
| RD_546044186770_000 | computation | Reference Data From Materials Project: {formula:CsReBrCl3,spaceGroup:Cc2m,id:mp-568854} |
| RD_546873800705_000 | computation | Reference Data From Materials Project: {formula:TlBr,spaceGroup:Ccmm,id:mp-568949} |
| RD_547018132172_000 | computation | Reference Data From Materials Project: {formula:Rb3Mn2Br7,spaceGroup:I4/mmm,id:mp-28002} |
| RD_548021586245_000 | computation | Reference Data From Materials Project: {formula:Hg3(TeBr)2,spaceGroup:I2_13,id:mp-27853} |
| RD_549216312525_000 | computation | Reference Data From Materials Project: {formula:Rb2AgBr3,spaceGroup:Pmnb,id:mp-567714} |
| RD_549948885779_000 | computation | Reference Data From Materials Project: {formula:CdBr2,spaceGroup:P6_3mc,id:mp-27934} |
| RD_550486919971_000 | computation | Reference Data From Materials Project: {formula:K3Hg3S2Br5O6,spaceGroup:Pmcn,id:mp-561414} |
| RD_550782171319_000 | computation | Reference Data From Materials Project: {formula:In2Br3,spaceGroup:P2_1,id:mp-685174} |
| RD_550811776218_000 | computation | Reference Data From Materials Project: {formula:Li2UBr6,spaceGroup:P-31c,id:mp-675438} |
| RD_550875493077_000 | computation | Reference Data From Materials Project: {formula:MnH4(BrO)2,spaceGroup:C2/m,id:mp-25047} |
| RD_551866390028_000 | computation | Reference Data From Materials Project: {formula:Sr3LaBr9,spaceGroup:Pc,id:mp-771955} |
| RD_552139903597_000 | computation | Reference Data From Materials Project: {formula:AsBr5F6,spaceGroup:C2/c,id:mp-28647} |
| RD_552607214973_000 | computation | Reference Data From Materials Project: {formula:CsAlBr4,spaceGroup:Pmcn,id:mp-29103} |
| RD_552685381040_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:Cm,id:mp-568752} |
| RD_552760311908_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_552873683639_000 | computation | Reference Data From Materials Project: {formula:TeBr2,spaceGroup:P4_2/mnm,id:mp-867355} |
| RD_554908622482_000 | computation | Reference Data From Materials Project: {formula:Rb2CuBr3,spaceGroup:Pmnb,id:mp-569531} |
| RD_555035832639_000 | computation | Reference Data From Materials Project: {formula:FeTe2BrO5,spaceGroup:P2_1/c,id:mp-566807} |
| RD_555110809726_000 | computation | Reference Data From Materials Project: {formula:AlTlBr4,spaceGroup:P2/c,id:mp-567878} |
| RD_555111609674_000 | computation | Reference Data From Materials Project: {formula:Hg3(SeBr)2,spaceGroup:C2/m,id:mp-31075} |
| RD_555309442051_000 | computation | Reference Data From Materials Project: {formula:LiH20C8BrO4,spaceGroup:C2/c,id:mp-738609} |
| RD_557988412803_000 | computation | Reference Data From Materials Project: {formula:H9BrO4,spaceGroup:P2_1,id:mp-625596} |
| RD_559195656207_000 | computation | Reference Data From Materials Project: {formula:SrLaBr5,spaceGroup:P2_1/m,id:mp-756437} |
| RD_560081431888_000 | computation | Reference Data From Materials Project: {formula:CdHg4C6S6(Br2N3)2,spaceGroup:F2mm,id:mp-557580} |
| RD_560937528814_000 | computation | Reference Data From Materials Project: {formula:Sm6Br13,spaceGroup:C2/c,id:mp-672351} |
| RD_561742178985_000 | computation | Reference Data From Materials Project: {formula:PmBr3,spaceGroup:P6_3/mmc,id:mp-862986} |
| RD_562192854561_000 | computation | Reference Data From Materials Project: {formula:Rb2ZnBr4,spaceGroup:P2_1/c,id:mp-636598} |
| RD_562629921641_000 | computation | Reference Data From Materials Project: {formula:Na2UBr6,spaceGroup:P-3m1,id:mp-568694} |
| RD_563297172768_000 | computation | Reference Data From Materials Project: {formula:ThBr4,spaceGroup:I4_1/a,id:mp-570229} |
| RD_564813265238_000 | computation | BrCs in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_565769099742_000 | computation | Reference Data From Materials Project: {formula:Mn2SnC10BrO10,spaceGroup:P2_1/c,id:mp-705194} |
| RD_567023978040_000 | computation | Reference Data From Materials Project: {formula:CrHg6As4Br7,spaceGroup:Pa3,id:mp-567329} |
| RD_567625277701_000 | computation | Reference Data From Materials Project: {formula:La3Br6N,spaceGroup:Pbca,id:mp-29197} |
| RD_567933836763_000 | computation | Reference Data From Materials Project: {formula:SnH14C4(Br2N)2,spaceGroup:P2_1/c,id:mp-583589} |
| RD_568358907152_000 | computation | Reference Data From Materials Project: {formula:TlH12C4Br4N5,spaceGroup:P2_1/c,id:mp-568282} |
| RD_568590094223_000 | computation | BrNa 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_570071119723_000 | computation | Reference Data From Materials Project: {formula:SeBr2,spaceGroup:P4_2/mnm,id:mp-861891} |
| RD_570566688405_000 | computation | Reference Data From Materials Project: {formula:CsMnBr3,spaceGroup:P6_3/mmc,id:mp-23048} |
| RD_570895076705_000 | computation | Reference Data From Materials Project: {formula:Ca9La5Br33,spaceGroup:P-1,id:mp-782009} |
| RD_571332675000_000 | computation | Reference Data From Materials Project: {formula:NaBr,spaceGroup:Fm-3m,id:mp-22916} |
| RD_571981954480_000 | computation | Br in AFLOW crystal prototype A_oC8_64_f. 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_573166892744_000 | computation | Reference Data From Materials Project: {formula:Hg3AsBrO4,spaceGroup:P2_13,id:mp-558945} |
| RD_573947034240_000 | computation | Reference Data From Materials Project: {formula:H9BrO4,spaceGroup:P1,id:mp-625641} |
| RD_574192887981_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_575228149521_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_575415778972_000 | computation | Reference Data From Materials Project: {formula:Pr10C4Br15,spaceGroup:P-1,id:mp-862839} |
| RD_575669991046_000 | computation | Reference Data From Materials Project: {formula:Gd6CoBr10,spaceGroup:P-1,id:mp-637600} |
| RD_576468690697_000 | computation | Reference Data From Materials Project: {formula:Cu3As4H18C8Br3(NO2)2,spaceGroup:C2/c,id:mp-542553} |
| RD_577887909767_000 | computation | Reference Data From Materials Project: {formula:SmBr3,spaceGroup:Cmcm,id:mp-27976} |
| RD_578991268904_000 | computation | Reference Data From Materials Project: {formula:Li3BrO,spaceGroup:Pm-3m,id:mp-28593} |
| RD_580000906334_000 | computation | Reference Data From Materials Project: {formula:NaBr,spaceGroup:Fm-3m,id:mp-22916} |
| RD_580433175594_000 | computation | Reference Data From Materials Project: {formula:CsHg2Br5,spaceGroup:P2_1/m,id:mp-619510} |
| RD_581308208868_000 | computation | Reference Data From Materials Project: {formula:TiBr2,spaceGroup:P-3m1,id:mp-27785} |
| RD_581722009287_000 | computation | Reference Data From Materials Project: {formula:V2CuBr,spaceGroup:Fm-3m,id:mp-631442} |
| RD_581818568271_000 | computation | Reference Data From Materials Project: {formula:NiH12(BrO6)2,spaceGroup:Pa3,id:mp-743609} |
| RD_581991841267_000 | computation | Reference Data From Materials Project: {formula:La6Si7Br3,spaceGroup:Pmnm,id:mp-29560} |
| RD_582000329441_000 | computation | Reference Data From Materials Project: {formula:Hg6Sb5Br7,spaceGroup:Pa3,id:mp-23453} |
| RD_582376623713_000 | computation | Reference Data From Materials Project: {formula:NiH12(BrO6)2,spaceGroup:Pa3,id:mp-743609} |
| RD_583319028244_000 | computation | Reference Data From Materials Project: {formula:Pd(PbBr3)2,spaceGroup:P2_1/c,id:mp-28983} |
| RD_583441924271_000 | computation | Br in AFLOW crystal prototype A_oC8_64_f. 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_583507758369_000 | computation | Reference Data From Materials Project: {formula:MgBr2,spaceGroup:P-3m1,id:mp-30034} |
| RD_584434695788_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_584535184979_000 | computation | Reference Data From Materials Project: {formula:Eu4Br6O,spaceGroup:P6_3mc,id:mp-559031} |
| RD_585064841613_000 | computation | Reference Data From Materials Project: {formula:Ta4S9Br8,spaceGroup:I4mm,id:mp-559724} |
| RD_585858750786_000 | computation | Reference Data From Materials Project: {formula:AgHgSBr,spaceGroup:Pmcm,id:mp-560067} |
| RD_586709298829_000 | computation | Reference Data From Materials Project: {formula:CdSi3PH27C9Br2,spaceGroup:P2_1/c,id:mp-604998} |
| RD_587055649129_000 | computation | Reference Data From Materials Project: {formula:RbRe3Br10,spaceGroup:C2/m,id:mp-582648} |
| RD_589056796613_000 | computation | Reference Data From Materials Project: {formula:BiBr3,spaceGroup:C2/m,id:mp-568301} |
| RD_589236059025_000 | computation | Reference Data From Materials Project: {formula:Cu3BiSe2BrO8,spaceGroup:Pmnm,id:mp-628637} |
| RD_589319583634_000 | computation | Br in AFLOW crystal prototype A_oI2_71_a. 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_593550329620_000 | computation | Reference Data From Materials Project: {formula:Hg12SbBr(ClO3)2,spaceGroup:P3,id:mp-642625} |
| RD_593574348512_000 | computation | Reference Data From Materials Project: {formula:CaBr2,spaceGroup:P4_2/mnm,id:mp-571166} |
| RD_594200079393_000 | computation | Reference Data From Materials Project: {formula:SbI3(BrCl3)2,spaceGroup:P-1,id:mp-570962} |
| RD_594424435046_000 | computation | Reference Data From Materials Project: {formula:Ba(FeBr4)2,spaceGroup:Pcab,id:mp-568396} |
| RD_595441034358_000 | computation | Reference Data From Materials Project: {formula:HBr,spaceGroup:P2_12_12_1,id:mp-32684} |
| RD_595482103491_000 | computation | Reference Data From Materials Project: {formula:KTiBr3,spaceGroup:P6_3,id:mp-567718} |
| RD_596438790240_000 | computation | Reference Data From Materials Project: {formula:Re2RuBr,spaceGroup:Fm-3m,id:mp-631592} |
| RD_596613349648_000 | computation | Reference Data From Materials Project: {formula:La3C2Br3,spaceGroup:C222_1,id:mp-29994} |
| RD_596792548449_000 | computation | Reference Data From Materials Project: {formula:Re3(TeBr)7,spaceGroup:R-3,id:mp-623087} |
| RD_596874852099_000 | computation | Reference Data From Materials Project: {formula:Sb2BrF15,spaceGroup:P2_1/c,id:mp-556436} |
| RD_597500570313_000 | computation | Reference Data From Materials Project: {formula:TiHg6As4Br7,spaceGroup:Pa3,id:mp-569456} |
| RD_597975203885_000 | computation | Reference Data From Materials Project: {formula:Na3MgC2BrO6,spaceGroup:Fd-3m,id:mp-646116} |
| RD_598451392310_000 | computation | Reference Data From Materials Project: {formula:ReW2Br,spaceGroup:F-43m,id:mp-631424} |
| RD_599175806008_000 | computation | Reference Data From Materials Project: {formula:PH8BrN4,spaceGroup:P4/nbm,id:mp-505498} |
| RD_599625045790_000 | computation | Reference Data From Materials Project: {formula:CsSnBr3,spaceGroup:Pm-3m,id:mp-27214} |
| RD_601950932538_000 | computation | Reference Data From Materials Project: {formula:La(AlBr4)3,spaceGroup:P3_121,id:mp-568896} |
| RD_602335194882_000 | computation | Reference Data From Materials Project: {formula:Cs3B6H12S4Br,spaceGroup:P6_3mc,id:mp-695929} |
| RD_602772933504_000 | computation | Reference Data From Materials Project: {formula:Li6Br3N,spaceGroup:C2/m,id:mp-34326} |
| RD_603583993018_000 | computation | Reference Data From Materials Project: {formula:Nd3SeBrN2,spaceGroup:Pmcn,id:mp-605821} |
| RD_604397062045_000 | computation | Reference Data From Materials Project: {formula:HBr,spaceGroup:Fm-3m,id:mp-23903} |
| RD_605034203549_000 | computation | Reference Data From Materials Project: {formula:Ti(AlBr4)2,spaceGroup:Pnmn,id:mp-608551} |
| RD_606366685586_000 | computation | Reference Data From Materials Project: {formula:HoBi2BrO4,spaceGroup:P4/mmm,id:mp-546625} |
| RD_606927699632_000 | computation | Reference Data From Materials Project: {formula:LiH2BrO,spaceGroup:Cmcm,id:mp-754153} |
| RD_609877891220_000 | computation | Reference Data From Materials Project: {formula:CuW3Br7,spaceGroup:Pn3,id:mp-23370} |
| RD_610458902237_000 | computation | Reference Data From Materials Project: {formula:TbBr3,spaceGroup:P6_3/mmc,id:mp-867247} |
| RD_610683107257_000 | computation | Reference Data From Materials Project: {formula:Nb3Tl2Br9,spaceGroup:C2/m,id:mp-541709} |
| RD_612119444325_000 | computation | Reference Data From Materials Project: {formula:RbVBr3,spaceGroup:P6_3/mmc,id:mp-570099} |
| RD_612161483810_000 | computation | Reference Data From Materials Project: {formula:PtBr3,spaceGroup:R-3,id:mp-23165} |
| RD_612894175441_000 | computation | BrF in AFLOW crystal prototype AB5_oC24_36_a_3ab. 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_613004685388_000 | computation | Reference Data From Materials Project: {formula:CsPr9Nb(Br5N2)3,spaceGroup:P6_3/m,id:mp-568707} |
| RD_613453372623_000 | computation | Reference Data From Materials Project: {formula:LiBBr2,spaceGroup:F-43m,id:mp-631545} |
| RD_613705932529_000 | computation | Br in AFLOW crystal prototype A_oC8_64_f. 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_613810387188_000 | computation | BrRb 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_614235408192_000 | computation | Reference Data From Materials Project: {formula:Hg2As3Br,spaceGroup:C2/c,id:mp-28899} |
| RD_614414084903_000 | computation | Reference Data From Materials Project: {formula:Sr2LiCBr3N2,spaceGroup:Fd-3m,id:mp-569782} |
| RD_614706097422_000 | computation | Reference Data From Materials Project: {formula:AlBr4,spaceGroup:Fm-3c,id:mp-39008} |
| RD_614706405296_000 | computation | Reference Data From Materials Project: {formula:Hg3AsS4Br,spaceGroup:P6_3mc,id:mp-555074} |
| RD_615070093732_000 | computation | Reference Data From Materials Project: {formula:Tb16B4Br23,spaceGroup:C2/m,id:mp-29954} |
| RD_616487896946_000 | computation | Reference Data From Materials Project: {formula:HgBr,spaceGroup:I4/mmm,id:mp-23177} |
| RD_616764341206_000 | computation | Reference Data From Materials Project: {formula:Co3B7BrO13,spaceGroup:Pca2_1,id:mp-654358} |
| RD_617901971530_000 | computation | Reference Data From Materials Project: {formula:Sb2BrF17,spaceGroup:P2_1/c,id:mp-559807} |
| RD_618211701538_000 | computation | Reference Data From Materials Project: {formula:In5S5Br,spaceGroup:Pmn2_1,id:mp-510347} |
| RD_619540008932_000 | computation | Reference Data From Materials Project: {formula:HoBrO,spaceGroup:Pmmn,id:mp-752637} |
| RD_620223557652_000 | computation | Reference Data From Materials Project: {formula:Cs2NaYBr6,spaceGroup:Fm-3m,id:mp-571467} |
| RD_620654759806_000 | computation | Reference Data From Materials Project: {formula:La4Al5Br2,spaceGroup:Cmmm,id:mp-569398} |
| RD_620936395487_000 | computation | Reference Data From Materials Project: {formula:CoSb2Br2O3,spaceGroup:P-1,id:mp-561493} |
| RD_621350280210_000 | computation | Reference Data From Materials Project: {formula:K2PtBr4,spaceGroup:P4/mmm,id:mp-27243} |
| RD_621744706333_000 | computation | Reference Data From Materials Project: {formula:CsBrF6,spaceGroup:R-3,id:mp-541226} |
| RD_622215575509_000 | computation | Reference Data From Materials Project: {formula:Ga2Te2Br7,spaceGroup:P2_1/c,id:mp-570186} |
| RD_622555573274_000 | computation | Reference Data From Materials Project: {formula:AgB11H6CBr6,spaceGroup:Pnma,id:mp-703539} |
| RD_623295582806_000 | computation | Reference Data From Materials Project: {formula:PaBr4,spaceGroup:I4_1/amd,id:mp-27474} |
| RD_623520064443_000 | computation | Reference Data From Materials Project: {formula:PmBr3,spaceGroup:P6_3/mmc,id:mp-862986} |
| RD_623675020109_000 | computation | Reference Data From Materials Project: {formula:Zr3(Bi5Br9)2,spaceGroup:P6_3,id:mp-531975} |
| RD_623789327368_000 | computation | Reference Data From Materials Project: {formula:H9BrO4,spaceGroup:P1,id:mp-625687} |
| RD_623860894071_000 | computation | Reference Data From Materials Project: {formula:LiGaBr4,spaceGroup:P2_1/c,id:mp-28326} |
| RD_624293158403_000 | computation | Reference Data From Materials Project: {formula:Sn7(SBr5)2,spaceGroup:P1,id:mp-674324} |
| RD_626074746139_000 | computation | Reference Data From Materials Project: {formula:CuIrBr,spaceGroup:F-43m,id:mp-631427} |
| RD_626235768248_000 | computation | Reference Data From Materials Project: {formula:CsPbBr3,spaceGroup:Pm-3m,id:mp-600089} |
| RD_626639963687_000 | computation | Reference Data From Materials Project: {formula:HfSi2Br,spaceGroup:Fm-3m,id:mp-631455} |
| RD_627428563362_000 | computation | Reference Data From Materials Project: {formula:CsCrBr3,spaceGroup:P6_3mc,id:mp-27179} |
| RD_628013774419_000 | computation | Reference Data From Materials Project: {formula:YBr3,spaceGroup:P6_3/mmc,id:mp-865605} |
| RD_628492422593_000 | computation | Reference Data From Materials Project: {formula:CoH12(BrO3)2,spaceGroup:C2/m,id:mp-542452} |
| RD_628545558354_000 | computation | Reference Data From Materials Project: {formula:Nb3Se10Br3,spaceGroup:P2_1/c,id:mp-679967} |
| RD_628721270308_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_629668736771_000 | computation | Reference Data From Materials Project: {formula:Rb2UBr6,spaceGroup:Fm-3m,id:mp-567573} |
| RD_629672835398_000 | computation | Reference Data From Materials Project: {formula:CsMgBr3,spaceGroup:P6_3/mmc,id:mp-29750} |
| RD_630934740343_000 | computation | Reference Data From Materials Project: {formula:RbMo3Br7,spaceGroup:Cc,id:mp-676313} |
| RD_631127697285_000 | computation | Reference Data From Materials Project: {formula:Nd4(SBr2)3,spaceGroup:C2/c,id:mp-555088} |
| RD_631628978551_000 | computation | Reference Data From Materials Project: {formula:Ba5Y3Br19,spaceGroup:P-1,id:mp-868000} |
| RD_631755939331_000 | computation | Reference Data From Materials Project: {formula:Pb(BrO3)2,spaceGroup:C2/c,id:mp-754665} |
| RD_633398140557_000 | computation | Reference Data From Materials Project: {formula:Ba3(BrO)2,spaceGroup:P2_1/c,id:mp-771008} |
| RD_633462815202_000 | computation | Reference Data From Materials Project: {formula:Te6Br2O11,spaceGroup:Cmcm,id:mp-29251} |
| RD_633551695510_000 | computation | Reference Data From Materials Project: {formula:LaBr2,spaceGroup:P6_3/mmc,id:mp-28572} |
| RD_633602354120_000 | computation | Reference Data From Materials Project: {formula:RhBr3,spaceGroup:C2/m,id:mp-27871} |
| RD_634394561736_000 | computation | Reference Data From Materials Project: {formula:SeBr,spaceGroup:P2_1/c,id:mp-540943} |
| RD_635034304542_000 | computation | Reference Data From Materials Project: {formula:AgMo6Br13,spaceGroup:P-1,id:mp-680482} |
| RD_635812629120_000 | computation | Reference Data From Materials Project: {formula:NbBr5,spaceGroup:P-1,id:mp-568245} |
| RD_637058668552_000 | computation | Reference Data From Materials Project: {formula:B5Pb2BrO9,spaceGroup:P2nn,id:mp-23623} |
| RD_637689460776_000 | computation | Reference Data From Materials Project: {formula:SnBr2,spaceGroup:Pmnb,id:mp-29862} |
| RD_638085923360_000 | computation | Reference Data From Materials Project: {formula:GeBr4,spaceGroup:Pa3,id:mp-571246} |
| RD_639264689774_000 | computation | Reference Data From Materials Project: {formula:Li2UBr6,spaceGroup:P2,id:mp-675872} |
| RD_639283510489_000 | computation | Reference Data From Materials Project: {formula:Br2O,spaceGroup:Pc2_1n,id:mp-28460} |
| RD_639525470981_000 | computation | Reference Data From Materials Project: {formula:YbBr2,spaceGroup:Pcnb,id:mp-571232} |
| RD_640064118279_000 | computation | Reference Data From Materials Project: {formula:PrBi2BrO4,spaceGroup:P4/mmm,id:mp-551900} |
| RD_640775647468_000 | computation | Reference Data From Materials Project: {formula:Cu2P8Se3Br2,spaceGroup:Pbcm,id:mp-683899} |
| RD_641809535835_000 | computation | Reference Data From Materials Project: {formula:La9B3C6Br5,spaceGroup:Pmnm,id:mp-624186} |
| RD_642905606099_000 | computation | BrCs 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_643178958492_000 | computation | Reference Data From Materials Project: {formula:Sm4Br6O,spaceGroup:P6_3mc,id:mp-554768} |
| RD_643414176180_000 | computation | Br in AFLOW crystal prototype A_cF4_225_a (Face-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_645172560469_000 | computation | Reference Data From Materials Project: {formula:Cs2PtBr6,spaceGroup:Fm-3m,id:mp-30062} |
| RD_645357947759_000 | computation | Reference Data From Materials Project: {formula:CaInBr3,spaceGroup:Cmcm,id:mp-28534} |
| RD_645687505247_000 | computation | Reference Data From Materials Project: {formula:Cs3Bi2Br9,spaceGroup:P-3m1,id:mp-27544} |
| RD_645761416625_000 | computation | Reference Data From Materials Project: {formula:CuH12Br4(NO)2,spaceGroup:P4_2/mnm,id:mp-24103} |
| RD_645827571506_000 | computation | Reference Data From Materials Project: {formula:CsLi3Br4,spaceGroup:Pm2_1b,id:mp-580554} |
| RD_646907425616_000 | computation | Reference Data From Materials Project: {formula:CrInBr3,spaceGroup:P2_1/c,id:mp-28532} |
| RD_647500785346_000 | computation | Reference Data From Materials Project: {formula:Cs3B12H12Br,spaceGroup:R-3m,id:mp-542819} |
| RD_647506991188_000 | computation | Reference Data From Materials Project: {formula:Rb3Nb6SBr17,spaceGroup:C2/c,id:mp-559037} |
| RD_647934481677_000 | computation | Reference Data From Materials Project: {formula:TlBr,spaceGroup:Pm-3m,id:mp-22875} |
| RD_649232098650_000 | computation | Reference Data From Materials Project: {formula:Hg5(BrO2)2,spaceGroup:Icma,id:mp-23543} |
| RD_649999307347_000 | computation | Reference Data From Materials Project: {formula:AgBr,spaceGroup:F-43m,id:mp-866291} |
| RD_650756612226_000 | computation | Reference Data From Materials Project: {formula:TiBrO,spaceGroup:P2/m,id:mp-647004} |
| RD_650791605175_000 | computation | Reference Data From Materials Project: {formula:AuSeBr,spaceGroup:Pnam,id:mp-27199} |
| RD_650795535537_000 | computation | Reference Data From Materials Project: {formula:Cu3B7BrO13,spaceGroup:F-43c,id:mp-554590} |
| RD_651704010123_000 | computation | Reference Data From Materials Project: {formula:HoBrO,spaceGroup:R-3m,id:mp-755565} |
| RD_652386235643_000 | computation | Reference Data From Materials Project: {formula:Ca3AsBr3,spaceGroup:Pm-3m,id:mp-27294} |
| RD_652798385198_000 | computation | Reference Data From Materials Project: {formula:LaBr,spaceGroup:R-3m,id:mp-27679} |
| RD_655647972041_000 | computation | Reference Data From Materials Project: {formula:Hg3(TeBr)2,spaceGroup:I2_13,id:mp-27853} |
| RD_656097819583_000 | computation | Reference Data From Materials Project: {formula:TbBi2BrO4,spaceGroup:P4/mmm,id:mp-549475} |
| RD_656458063123_000 | computation | Reference Data From Materials Project: {formula:TbBr,spaceGroup:R-3m,id:mp-27924} |
| RD_656945989694_000 | computation | Reference Data From Materials Project: {formula:CoH4(BrO)2,spaceGroup:C2/m,id:mp-25475} |
| RD_657211114075_000 | computation | Reference Data From Materials Project: {formula:SrBr2,spaceGroup:Pmcn,id:mp-567744} |
| RD_657961514201_000 | computation | Reference Data From Materials Project: {formula:Cs2SnBr6,spaceGroup:Fm-3m,id:mp-641923} |
| RD_658430921367_000 | computation | Reference Data From Materials Project: {formula:Rb3Os2Br9,spaceGroup:P6_3/mmc,id:mp-30167} |
| RD_658691419252_000 | computation | Reference Data From Materials Project: {formula:Hg6BiSb4Br7,spaceGroup:Pa3,id:mp-568828} |
| RD_658753039338_000 | computation | Reference Data From Materials Project: {formula:MnBr2,spaceGroup:Fd-3m,id:mp-571084} |
| RD_659606698186_000 | computation | Reference Data From Materials Project: {formula:MnSbS2Br,spaceGroup:C2/m,id:mp-554061} |
| RD_660442111549_000 | computation | Reference Data From Materials Project: {formula:CdSb2Se3Br2,spaceGroup:C2/m,id:mp-567556} |
| RD_660458038093_000 | computation | Reference Data From Materials Project: {formula:CsGeBr3,spaceGroup:Pm-3m,id:mp-570223} |
| RD_660882073561_000 | computation | Reference Data From Materials Project: {formula:Tl2TeBr6,spaceGroup:P4/mnc,id:mp-31076} |
| RD_661608538203_000 | computation | Reference Data From Materials Project: {formula:WBr2,spaceGroup:Cmce,id:mp-29498} |
| RD_662433684451_000 | computation | Reference Data From Materials Project: {formula:La3CBr5,spaceGroup:C2/c,id:mp-568484} |
| RD_663442797317_000 | computation | Reference Data From Materials Project: {formula:Bi6PtBr10,spaceGroup:Pbnm,id:mp-583499} |
| RD_663756725691_000 | computation | Reference Data From Materials Project: {formula:Li2UBr6,spaceGroup:P-31c,id:mp-531472} |
| RD_665674402612_000 | computation | Reference Data From Materials Project: {formula:Sn3BrF5,spaceGroup:P2_1/c,id:mp-23452} |
| RD_666492887427_000 | computation | Reference Data From Materials Project: {formula:RbPb2Br5,spaceGroup:I4/mcm,id:mp-23043} |
| RD_666559787643_000 | computation | Reference Data From Materials Project: {formula:Ba3La2Br12,spaceGroup:P4/mbm,id:mp-771951} |
| RD_667317428081_000 | computation | Reference Data From Materials Project: {formula:LuBi2BrO4,spaceGroup:P4/mmm,id:mp-545847} |
| RD_669488191272_000 | computation | Reference Data From Materials Project: {formula:In5Br7,spaceGroup:C2/c,id:mp-568546} |
| RD_670394650553_000 | computation | Reference Data From Materials Project: {formula:Rb3V2Br9,spaceGroup:P6_3/mmc,id:mp-650503} |
| RD_670494900539_000 | computation | Reference Data From Materials Project: {formula:Li6MgBr8,spaceGroup:Fm-3m,id:mp-29008} |
| RD_670948765611_000 | computation | Reference Data From Materials Project: {formula:Pr6S4BrN3,spaceGroup:Pmnb,id:mp-554459} |
| RD_671284382192_000 | computation | Reference Data From Materials Project: {formula:Ca3Cu2(BrO2)2,spaceGroup:I4/mmm,id:mp-545706} |
| RD_672290660277_000 | computation | Reference Data From Materials Project: {formula:CaBr2,spaceGroup:Pmnn,id:mp-22888} |
| RD_672420661004_000 | computation | Reference Data From Materials Project: {formula:NaH6BrO5,spaceGroup:P-1,id:mp-505179} |
| RD_672522459697_000 | computation | Reference Data From Materials Project: {formula:AlBr3,spaceGroup:P2_1/c,id:mp-23288} |
| RD_673604382679_000 | computation | Reference Data From Materials Project: {formula:MoBr3,spaceGroup:Pnmm,id:mp-864746} |
| RD_673854856379_000 | computation | Br in AFLOW crystal prototype A_cF4_225_a (Face-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_674875717780_000 | computation | Reference Data From Materials Project: {formula:KAl2Br7,spaceGroup:P2_1/c,id:mp-30978} |
| RD_675481364775_000 | computation | Reference Data From Materials Project: {formula:NbBi4BrO8,spaceGroup:Pbcn,id:mp-561382} |
| RD_675820175224_000 | computation | Reference Data From Materials Project: {formula:CdH8C2S2(BrN2)2,spaceGroup:Pnam,id:mp-697260} |
| RD_676462646897_000 | computation | Reference Data From Materials Project: {formula:RbBrF4,spaceGroup:I4/mcm,id:mp-28577} |
| RD_677649131759_000 | computation | Reference Data From Materials Project: {formula:K2OsCBr5O,spaceGroup:Pcmn,id:mp-556047} |
| RD_679075473965_000 | computation | Reference Data From Materials Project: {formula:AcBrO,spaceGroup:P4/nmm,id:mp-30274} |
| RD_679124713734_000 | computation | Reference Data From Materials Project: {formula:CaThBr6,spaceGroup:Pmmb,id:mp-29015} |
| RD_679865382084_000 | computation | Reference Data From Materials Project: {formula:BaThBr6,spaceGroup:Pmmb,id:mp-570615} |
| RD_680189726365_000 | computation | Reference Data From Materials Project: {formula:H8C2BrN,spaceGroup:C2/c,id:mp-758655} |
| RD_682263556994_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_682338990542_000 | computation | Reference Data From Materials Project: {formula:RbVBr3,spaceGroup:P6_3cm,id:mp-29314} |
| RD_682608926831_000 | computation | Reference Data From Materials Project: {formula:BaH4(BrO)2,spaceGroup:C2/c,id:mp-696806} |
| RD_682645426746_000 | computation | BrNa 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_684777444835_000 | computation | Reference Data From Materials Project: {formula:Co5Te4(BrO6)2,spaceGroup:C2/c,id:mp-698579} |
| RD_685367498152_000 | computation | Reference Data From Materials Project: {formula:BiSeBr,spaceGroup:Pmnb,id:mp-569707} |
| RD_685370633451_000 | computation | Reference Data From Materials Project: {formula:PdBr2,spaceGroup:C2/c,id:mp-27857} |
| RD_685621617410_000 | computation | Reference Data From Materials Project: {formula:K2SnBr6,spaceGroup:P4/mnc,id:mp-707190} |
| RD_686125349387_000 | computation | Reference Data From Materials Project: {formula:MnInBr3,spaceGroup:Pmnb,id:mp-28912} |
| RD_686700894889_000 | computation | Reference Data From Materials Project: {formula:CuBr,spaceGroup:F-43m,id:mp-22913} |
| RD_686854937623_000 | computation | Reference Data From Materials Project: {formula:KBrO3,spaceGroup:R3m,id:mp-22958} |
| RD_688588261398_000 | computation | Reference Data From Materials Project: {formula:YbHg6As4Br7,spaceGroup:Pa3,id:mp-567301} |
| RD_689842987329_000 | computation | Reference Data From Materials Project: {formula:Ce10Ga5Br4,spaceGroup:I4/mcm,id:mp-571439} |
| RD_690208395841_000 | computation | Reference Data From Materials Project: {formula:YBrO,spaceGroup:R-3m,id:mp-754031} |
| RD_691265905823_000 | computation | Reference Data From Materials Project: {formula:Re3(SBr)7,spaceGroup:P31c,id:mp-29599} |
| RD_692297199582_000 | computation | Reference Data From Materials Project: {formula:TmBrO,spaceGroup:P4/nmm,id:mp-754969} |
| RD_692431500310_000 | computation | Reference Data From Materials Project: {formula:Co7Te4(BrO2)6,spaceGroup:C2/c,id:mp-639164} |
| RD_693954707417_000 | computation | Reference Data From Materials Project: {formula:SeBr,spaceGroup:Cc2e,id:mp-570589} |
| RD_694625430252_000 | computation | Reference Data From Materials Project: {formula:CBr4,spaceGroup:C2/c,id:mp-680422} |
| RD_695012463820_000 | computation | Reference Data From Materials Project: {formula:K2ReBr6,spaceGroup:Fm-3m,id:mp-23021} |
| RD_695719847030_000 | computation | Reference Data From Materials Project: {formula:Na2H4PtC4Br2(N2O)2,spaceGroup:Pnma,id:mp-706285} |
| RD_696391651664_000 | computation | Reference Data From Materials Project: {formula:Eu3BrO4,spaceGroup:Cmcm,id:mp-540915} |
| RD_696611262379_000 | computation | Reference Data From Materials Project: {formula:PH4Br,spaceGroup:P4/nmm,id:mp-27689} |
| RD_696632184999_000 | computation | Reference Data From Materials Project: {formula:CsEr(TaBr3)6,spaceGroup:P-31c,id:mp-571010} |
| RD_696671153837_000 | computation | Reference Data From Materials Project: {formula:H7BrO3,spaceGroup:Cc,id:mp-625560} |
| RD_696826962315_000 | computation | Reference Data From Materials Project: {formula:CsEr(NbBr3)6,spaceGroup:P-31c,id:mp-569903} |
| RD_697085107647_000 | computation | Reference Data From Materials Project: {formula:La(AlBr4)3,spaceGroup:P3_121,id:mp-568896} |
| RD_697328135123_000 | computation | Reference Data From Materials Project: {formula:PBr2N,spaceGroup:Pcmn,id:mp-23457} |
| RD_697922902309_000 | computation | Reference Data From Materials Project: {formula:ThBrN,spaceGroup:P4/nmm,id:mp-28066} |
| RD_698018846285_000 | computation | Reference Data From Materials Project: {formula:FeH4Br3N,spaceGroup:P6_3,id:mp-865922} |
| RD_699221261713_000 | computation | Reference Data From Materials Project: {formula:Li4Be3P3BrO12,spaceGroup:P-43n,id:mp-554560} |
| RD_699230036160_000 | computation | Reference Data From Materials Project: {formula:Tb3SiBr3,spaceGroup:I4_132,id:mp-30232} |
| RD_699959871566_000 | computation | Reference Data From Materials Project: {formula:TlCdBr3,spaceGroup:Pmnb,id:mp-28219} |
| RD_700170109741_000 | computation | Reference Data From Materials Project: {formula:InBr,spaceGroup:Ccmm,id:mp-22870} |
| RD_700946307141_000 | computation | Reference Data From Materials Project: {formula:NbTeBr3,spaceGroup:P2/c,id:mp-28038} |
| RD_700978866167_000 | computation | Reference Data From Materials Project: {formula:CsMgBr3,spaceGroup:P6_3/mmc,id:mp-29750} |
| RD_701962269851_000 | computation | Reference Data From Materials Project: {formula:Cs2Li3Br5,spaceGroup:C2/m,id:mp-571409} |
| RD_704003479191_000 | computation | Reference Data From Materials Project: {formula:CuW3Br7,spaceGroup:Pcab,id:mp-679991} |
| RD_704097091458_000 | computation | Reference Data From Materials Project: {formula:TmBrO,spaceGroup:Pmmn,id:mp-754526} |
| RD_704420769784_000 | computation | Reference Data From Materials Project: {formula:Sr7(H6Br)2,spaceGroup:P-6,id:mp-23828} |
| RD_704780272481_000 | computation | Reference Data From Materials Project: {formula:H10C5SeS2BrN3,spaceGroup:Pbca,id:mp-600217} |
| RD_705344881014_000 | computation | Reference Data From Materials Project: {formula:CsLiBr2,spaceGroup:P4/nmm,id:mp-23057} |
| RD_705621902094_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_706484709861_000 | computation | Reference Data From Materials Project: {formula:BrN(OF2)2,spaceGroup:Pnma,id:mp-555071} |
| RD_707130299721_000 | computation | Reference Data From Materials Project: {formula:ZrBr2,spaceGroup:R-3,id:mp-28495} |
| RD_707993338211_000 | computation | Reference Data From Materials Project: {formula:PbBrCl,spaceGroup:Pmnb,id:mp-22997} |
| RD_708212499012_000 | computation | Reference Data From Materials Project: {formula:BaLaBr5,spaceGroup:Pnma,id:mp-770392} |
| RD_708320167096_000 | computation | Reference Data From Materials Project: {formula:SiBr4,spaceGroup:P2_1/c,id:mp-574086} |
| RD_710419690449_000 | computation | Reference Data From Materials Project: {formula:Sr2FeBrO3,spaceGroup:P4/nmm,id:mp-566641} |
| RD_710943713991_000 | computation | Reference Data From Materials Project: {formula:Li6Br3N,spaceGroup:Fm-3m,id:mp-27508} |
| RD_710947981892_000 | computation | Reference Data From Materials Project: {formula:Ni3B7BrO13,spaceGroup:Pbc2_1,id:mp-567288} |
| RD_711889565547_000 | computation | Reference Data From Materials Project: {formula:BaLaBr5,spaceGroup:Pnma,id:mp-772891} |
| RD_712088043237_000 | computation | Reference Data From Materials Project: {formula:Ba5Ru2Br2O9,spaceGroup:P6_3/mmc,id:mp-558725} |
| RD_713618109474_000 | computation | Reference Data From Materials Project: {formula:La8Ni4Br7,spaceGroup:C2/m,id:mp-582242} |
| RD_714864313831_000 | computation | Reference Data From Materials Project: {formula:Cs5Nb2S4Br9,spaceGroup:Immm,id:mp-556239} |
| RD_716048816626_000 | computation | Reference Data From Materials Project: {formula:Eu4Br6O,spaceGroup:P6_3mc,id:mp-559031} |
| RD_718030193315_000 | computation | Reference Data From Materials Project: {formula:La5Bi3Br,spaceGroup:P6_3/mcm,id:mp-30212} |
| RD_718347296669_000 | computation | Reference Data From Materials Project: {formula:TlPb8Br9O4,spaceGroup:P4/n,id:mp-560133} |
| RD_718460696809_000 | computation | Reference Data From Materials Project: {formula:LaSb(SBr)2,spaceGroup:P2_1/c,id:mp-680334} |
| RD_718878407218_000 | computation | Reference Data From Materials Project: {formula:K8Zr6BBr20,spaceGroup:Fm-3m,id:mp-866664} |
| RD_720423071018_000 | computation | Reference Data From Materials Project: {formula:SrBrF,spaceGroup:P4/nmm,id:mp-23024} |
| RD_721512317504_000 | computation | Reference Data From Materials Project: {formula:Sr2Co(BrO)2,spaceGroup:I4/mmm,id:mp-24866} |
| RD_722697234595_000 | computation | Reference Data From Materials Project: {formula:HgIBr,spaceGroup:Ccm2_1,id:mp-570172} |
| RD_723825643652_000 | computation | Reference Data From Materials Project: {formula:K2HgC2S2(BrN)2,spaceGroup:P6_3/m,id:mp-556327} |
| RD_723955529933_000 | computation | Reference Data From Materials Project: {formula:YbCsBr3,spaceGroup:Pm-3m,id:mp-568005} |
| RD_725290256881_000 | computation | Reference Data From Materials Project: {formula:Gd2CBr,spaceGroup:P6_3/mmc,id:mp-28522} |
| RD_726209112738_000 | computation | BrCs in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_726808097332_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_727053927388_000 | computation | BrF in AFLOW crystal prototype AB3_oC16_36_a_3a. 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_727309414079_000 | computation | Reference Data From Materials Project: {formula:As3H9RhC3(BrO)3,spaceGroup:P2_1/c,id:mp-605173} |
| RD_727474068379_000 | computation | Reference Data From Materials Project: {formula:H28Pt2Br5N9O2,spaceGroup:P2_1/c,id:mp-849764} |
| RD_728165504030_000 | computation | BrK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). 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_728289690460_000 | computation | Reference Data From Materials Project: {formula:SiBr4,spaceGroup:Pa3,id:mp-570285} |
| RD_728920505071_000 | computation | Reference Data From Materials Project: {formula:Pr5(CBr4)2,spaceGroup:P-1,id:mp-571575} |
| RD_729001427872_000 | computation | Reference Data From Materials Project: {formula:BP(IBr)3,spaceGroup:Pcmn,id:mp-567433} |
| RD_729054886908_000 | computation | Reference Data From Materials Project: {formula:KAs4BrO6,spaceGroup:P6/mmm,id:mp-23083} |
| RD_729631066272_000 | computation | Reference Data From Materials Project: {formula:K2PdBr4,spaceGroup:P4/mmm,id:mp-27138} |
| RD_731301136859_000 | computation | Reference Data From Materials Project: {formula:HBr,spaceGroup:Fmmm,id:mp-634105} |
| RD_731682895453_000 | computation | Reference Data From Materials Project: {formula:La4B4Br5,spaceGroup:C2/m,id:mp-510357} |
| RD_731720114488_000 | computation | BrNa 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_732014474439_000 | computation | Reference Data From Materials Project: {formula:CBr3F,spaceGroup:Pbnm,id:mp-28765} |
| RD_732898861738_000 | computation | Reference Data From Materials Project: {formula:Sr20P12Br(O16F)3,spaceGroup:P3,id:mp-729560} |
| RD_733181451648_000 | computation | Reference Data From Materials Project: {formula:Cd2As3Br,spaceGroup:C2/c,id:mp-28900} |
| RD_733968726037_000 | computation | Reference Data From Materials Project: {formula:AcBr3,spaceGroup:P6_3/m,id:mp-27972} |
| RD_734209763543_000 | computation | Reference Data From Materials Project: {formula:LaHBr2,spaceGroup:P6_3/mmc,id:mp-696944} |
| RD_734238775072_000 | computation | Reference Data From Materials Project: {formula:ZnCoTeBr2O3,spaceGroup:Pnaa,id:mp-645541} |
| RD_734728394126_000 | computation | Reference Data From Materials Project: {formula:Rb2Pd(IBr2)2,spaceGroup:I4/mmm,id:mp-567948} |
| RD_734925560737_000 | computation | Reference Data From Materials Project: {formula:ScBr2,spaceGroup:P4_2/mnm,id:mp-862565} |
| RD_735261303125_000 | computation | Reference Data From Materials Project: {formula:H15RhBr3N5,spaceGroup:Pnma,id:mp-706632} |
| RD_735272416238_000 | computation | Reference Data From Materials Project: {formula:NbBr5,spaceGroup:Pbnm,id:mp-28601} |
| RD_735419422313_000 | computation | Reference Data From Materials Project: {formula:CsMo3Br3Cl4,spaceGroup:P31c,id:mp-581922} |
| RD_735681570134_000 | computation | Reference Data From Materials Project: {formula:SiPb4(BrO)4,spaceGroup:P2_1/c,id:mp-556172} |
| RD_735695825618_000 | computation | Reference Data From Materials Project: {formula:CsGaBr4,spaceGroup:Pmcn,id:mp-672251} |
| RD_735738152062_000 | computation | Reference Data From Materials Project: {formula:CsPr9Nb(Br5N2)3,spaceGroup:P6_3/m,id:mp-568707} |
| RD_738091313613_000 | computation | Reference Data From Materials Project: {formula:SbBr3,spaceGroup:Pbnm,id:mp-570005} |
| RD_738410293378_000 | computation | Reference Data From Materials Project: {formula:InRe2C10BrO10,spaceGroup:P2_1/c,id:mp-651750} |
| RD_738425935555_000 | computation | Reference Data From Materials Project: {formula:MgZn2H12(BrO)6,spaceGroup:Immm,id:mp-697121} |