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Reference Data - by Species

Alphabetical By Species


Reference Data in the OpenKIM Repository

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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Al
Reference Data Data Method Description
RD_959931323825_000 computation Reference Data From Materials Project: {formula:Zr5AlSn3,spaceGroup:P6_3/mcm,id:mp-510321}
RD_960016519376_000 computation AlTi in AFLOW crystal prototype A3B_tI8_139_ad_b (Al3Ti). 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': 2}
RD_960076059113_000 computation Reference Data From Materials Project: {formula:Al(PO3)3,spaceGroup:P-3c1,id:mp-559996}
RD_960626884811_000 computation Reference Data From Materials Project: {formula:LiAlSiO4,spaceGroup:Pc,id:mp-556544}
RD_961096073510_000 computation Reference Data From Materials Project: {formula:Al3Pb5F19,spaceGroup:P-1,id:mp-558703}
RD_961157543965_000 computation Reference Data From Materials Project: {formula:Ca8MgAl6Si5O28,spaceGroup:P1,id:mp-744914}
RD_961314021023_000 computation Reference Data From Materials Project: {formula:LuAlO3,spaceGroup:Pbnm,id:mp-755574}
RD_961907789337_000 computation Reference Data From Materials Project: {formula:Sr(AlH)2,spaceGroup:P-3m1,id:mp-644229}
RD_962020111699_000 computation Reference Data From Materials Project: {formula:Al12W,spaceGroup:Im3,id:mp-11227}
RD_962688554559_000 computation Reference Data From Materials Project: {formula:KAl(MoO4)2,spaceGroup:P-3m1,id:mp-19352}
RD_962807754249_000 computation Reference Data From Materials Project: {formula:NdAl3(PbO4)2,spaceGroup:Pn-3m,id:mp-21618}
RD_963239915751_000 computation Reference Data From Materials Project: {formula:MnAlGe,spaceGroup:P4/nmm,id:mp-20757}
RD_963341135888_000 computation Reference Data From Materials Project: {formula:AlRh,spaceGroup:Pm-3m,id:mp-364}
RD_963561943173_000 computation Reference Data From Materials Project: {formula:Na3AlP8O23,spaceGroup:P4_132,id:mp-14389}
RD_964146716146_000 computation Reference Data From Materials Project: {formula:Al(HO)3,spaceGroup:P2_1,id:mp-626631}
RD_964508507806_000 computation Reference Data From Materials Project: {formula:Al5Mo,spaceGroup:R-3c,id:mp-571053}
RD_964526036495_000 computation Reference Data From Materials Project: {formula:Na3AlH6,spaceGroup:P2_1/c,id:mp-23705}
RD_964600133112_000 computation Reference Data From Materials Project: {formula:SrAlSi4N7,spaceGroup:P2_1nb,id:mp-570577}
RD_964841462731_000 computation Reference Data From Materials Project: {formula:Na3BeAl(SiO4)2,spaceGroup:P2_12_12,id:mp-556258}
RD_964983225162_000 computation AlCu in AFLOW crystal prototype AB3_oP12_47_al_ejoz. 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': 2}
RD_965614050560_000 computation Reference Data From Materials Project: {formula:UAl3,spaceGroup:Pm-3m,id:mp-1723}
RD_965835598741_000 computation Reference Data From Materials Project: {formula:Ca(AlS2)2,spaceGroup:Fddd,id:mp-14422}
RD_965981074997_000 computation Reference Data From Materials Project: {formula:Al2CuO4,spaceGroup:Cm,id:mp-530977}
RD_966754829276_000 computation Reference Data From Materials Project: {formula:Lu(AlGe)2,spaceGroup:P-3m1,id:mp-7158}
RD_967091850086_000 computation Reference Data From Materials Project: {formula:Y3Al5O12,spaceGroup:Ia-3d,id:mp-3050}
RD_967099403198_000 computation Reference Data From Materials Project: {formula:Ca4Ti3AlSi4O19F,spaceGroup:P-1,id:mp-534953}
RD_967440795389_000 computation Reference Data From Materials Project: {formula:Al2FeO4,spaceGroup:Fd-3m,id:mp-31801}
RD_967621732456_000 computation Reference Data From Materials Project: {formula:Ca(AlGe)2,spaceGroup:P-3m1,id:mp-3862}
RD_967820550297_000 computation Reference Data From Materials Project: {formula:Ba4Al2O7,spaceGroup:Ccme,id:mp-560978}
RD_968100640260_000 computation Reference Data From Materials Project: {formula:AlAu4,spaceGroup:P2_13,id:mp-1490}
RD_968565279140_000 computation Reference Data From Materials Project: {formula:HfAlPd2,spaceGroup:Fm-3m,id:mp-16501}
RD_969102327769_000 computation Al 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_969331848370_000 computation Reference Data From Materials Project: {formula:HfAlAu2,spaceGroup:Fm-3m,id:mp-10872}
RD_969445797457_000 computation Reference Data From Materials Project: {formula:Sr2AlH7,spaceGroup:C2/c,id:mp-697977}
RD_970386036016_000 computation Reference Data From Materials Project: {formula:AlPI8,spaceGroup:Pbn2_1,id:mp-568423}
RD_970789766040_000 computation Reference Data From Materials Project: {formula:BaAlSiH,spaceGroup:P3m1,id:mp-571093}
RD_971106636044_000 computation Reference Data From Materials Project: {formula:KAl(MoO4)2,spaceGroup:P-3m1,id:mp-19352}
RD_971228906239_000 computation Reference Data From Materials Project: {formula:LiAlSiH2O5,spaceGroup:P2_1cn,id:mp-604430}
RD_971244491622_000 computation Reference Data From Materials Project: {formula:Cs9AlO4,spaceGroup:I4/mcm,id:mp-866492}
RD_971477309831_000 computation Reference Data From Materials Project: {formula:SrAl12O19,spaceGroup:P6_3/mmc,id:mp-6995}
RD_971499838676_000 computation Reference Data From Materials Project: {formula:Na3CaAl3Si3SO16,spaceGroup:P1,id:mp-720222}
RD_971767710932_000 computation Reference Data From Materials Project: {formula:Sm3Al5O12,spaceGroup:Ia-3d,id:mp-780370}
RD_972038108174_000 computation Al 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_972075153335_000 computation Reference Data From Materials Project: {formula:Al2ZnTe4,spaceGroup:I-4,id:mp-7908}
RD_972464846698_000 computation Reference Data From Materials Project: {formula:HfAl2,spaceGroup:P6_3/mmc,id:mp-12657}
RD_972843157518_000 computation Reference Data From Materials Project: {formula:AlMo3,spaceGroup:Pm-3n,id:mp-259}
RD_973076719119_000 computation Reference Data From Materials Project: {formula:TmAl2,spaceGroup:Fd-3m,id:mp-858}
RD_973166816854_000 computation AlNi in AFLOW crystal prototype A3B2_hP5_164_ad_d (Al3Ni2). 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': 2}
RD_973236500898_000 computation Reference Data From Materials Project: {formula:Li3AlN2,spaceGroup:Ia3,id:mp-13944}
RD_973258844262_000 computation Reference Data From Materials Project: {formula:ScAlCu2,spaceGroup:Fm-3m,id:mp-16497}
RD_973660799682_000 computation AlCo in AFLOW crystal prototype AB3_cP4_221_a_c (Cu3Au). 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': 2}
RD_973754221821_000 computation Reference Data From Materials Project: {formula:AlTlF4,spaceGroup:P4/mmm,id:mp-5606}
RD_974089903267_000 computation Reference Data From Materials Project: {formula:Li2AlFeO4,spaceGroup:P2_1/c,id:mp-770698}
RD_974252840849_000 computation Reference Data From Materials Project: {formula:Yb(AlGa)2,spaceGroup:I4/mmm,id:mp-573498}
RD_974375836194_000 computation Reference Data From Materials Project: {formula:Al3Fe2Si3,spaceGroup:P2_1/c,id:mp-29066}
RD_974755579057_000 computation Reference Data From Materials Project: {formula:YbAl3,spaceGroup:Pm-3m,id:mp-1259}
RD_974899915670_000 computation Reference Data From Materials Project: {formula:Al2Co3(SiO4)3,spaceGroup:Ia-3d,id:mp-19552}
RD_974976523529_000 computation Reference Data From Materials Project: {formula:Ti6Al16Ni7,spaceGroup:Fm-3m,id:mp-865235}
RD_975318523236_000 computation Reference Data From Materials Project: {formula:Al2Si2H4O9,spaceGroup:Cc,id:mp-698132}
RD_975484138401_000 computation Reference Data From Materials Project: {formula:EuAl2,spaceGroup:Fd-3m,id:mp-20111}
RD_976842707767_000 computation Reference Data From Materials Project: {formula:Th(Al2Cr)4,spaceGroup:I4/mmm,id:mp-31411}
RD_977268792636_000 computation Reference Data From Materials Project: {formula:YAl3,spaceGroup:Pm-3m,id:mp-11231}
RD_977570965118_000 computation Reference Data From Materials Project: {formula:Ca11Al14O32,spaceGroup:C2,id:mp-33318}
RD_977746787085_000 computation Reference Data From Materials Project: {formula:Ti3AlC2,spaceGroup:P6_3/mmc,id:mp-3747}
RD_977844631389_000 computation Reference Data From Materials Project: {formula:BeAlRh2,spaceGroup:Fm-3m,id:mp-862287}
RD_978391471433_000 computation Reference Data From Materials Project: {formula:Mg5AlH21O17,spaceGroup:P1,id:mp-677288}
RD_978431222029_000 computation Reference Data From Materials Project: {formula:LiAl(Si2O5)2,spaceGroup:P2/c,id:mp-6442}
RD_979000842783_000 computation Reference Data From Materials Project: {formula:Al4Bi2O9,spaceGroup:Pmcb,id:mp-23426}
RD_979273313920_000 computation Reference Data From Materials Project: {formula:Sr8Al7,spaceGroup:P2_13,id:mp-11224}
RD_979982798706_000 computation Reference Data From Materials Project: {formula:Ti2AlC,spaceGroup:P6_3/mmc,id:mp-12990}
RD_980067836065_000 computation Reference Data From Materials Project: {formula:Ca2Al2FeSi3HO13,spaceGroup:P2_1/m,id:mp-743780}
RD_980448343349_000 computation Reference Data From Materials Project: {formula:Ce3AlCrS7,spaceGroup:P6_3,id:mp-866516}
RD_980509760714_000 computation Reference Data From Materials Project: {formula:KAl(SO4)2,spaceGroup:P-3m1,id:mp-7645}
RD_980850515678_000 computation Reference Data From Materials Project: {formula:AlHO2,spaceGroup:Ccm2_1,id:mp-626902}
RD_981005969147_000 computation Reference Data From Materials Project: {formula:Al2H16S3O20,spaceGroup:P2_1/c,id:mp-850293}
RD_981088464612_000 computation Al 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_981321763810_000 computation Reference Data From Materials Project: {formula:GdAlO3,spaceGroup:Pbnm,id:mp-5223}
RD_981806644810_000 computation Reference Data From Materials Project: {formula:Hf2Al3,spaceGroup:F2dd,id:mp-846}
RD_982057828699_000 computation Reference Data From Materials Project: {formula:CeAlO3,spaceGroup:R-3c,id:mp-3408}
RD_982947244497_000 computation Reference Data From Materials Project: {formula:TaAlPt,spaceGroup:F-43m,id:mp-961679}
RD_982981192333_000 computation Reference Data From Materials Project: {formula:AlTeO4,spaceGroup:Pbcn,id:mp-752394}
RD_984047418149_000 computation Reference Data From Materials Project: {formula:Na3Sr3AlP4,spaceGroup:P6_3mc,id:mp-41095}
RD_984284466589_000 computation Reference Data From Materials Project: {formula:Al2P3H9(CO3)3,spaceGroup:P31c,id:mp-556858}
RD_984522756704_000 computation Reference Data From Materials Project: {formula:LiAlPd2,spaceGroup:Fm-3m,id:mp-867820}
RD_984564243004_000 computation Reference Data From Materials Project: {formula:Ca(AlSi)2,spaceGroup:P-3m1,id:mp-7704}
RD_984782241870_000 computation Reference Data From Materials Project: {formula:Eu(Al4Fe)2,spaceGroup:Pmcb,id:mp-504740}
RD_985863924598_000 computation Reference Data From Materials Project: {formula:LuAlO3,spaceGroup:R-3c,id:mp-754435}
RD_986029779262_000 computation AlCu in AFLOW crystal prototype AB_mC20_12_a2i_c2i. 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': 2}
RD_986665086329_000 computation Reference Data From Materials Project: {formula:Al2H10S3O17,spaceGroup:P2_1/c,id:mp-757796}
RD_986768149169_000 computation Reference Data From Materials Project: {formula:Al2ZnS4,spaceGroup:Fd-3m,id:mp-4842}
RD_986817358494_000 computation Reference Data From Materials Project: {formula:AlSn2P(H3C)8,spaceGroup:P-1,id:mp-567609}
RD_986888993761_000 computation Reference Data From Materials Project: {formula:K2LiAlF6,spaceGroup:P-3m1,id:mp-556996}
RD_987051455311_000 computation AlNb in AFLOW crystal prototype AB3_cP8_223_a_c (Cr3Si). 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': 2}
RD_987107683601_000 computation Reference Data From Materials Project: {formula:AlRe2,spaceGroup:I4/mmm,id:mp-10909}
RD_987207334800_000 computation Reference Data From Materials Project: {formula:Zr6Al16Ru7,spaceGroup:Fm-3m,id:mp-866136}
RD_987623353728_000 computation Reference Data From Materials Project: {formula:AlRh,spaceGroup:Pm-3m,id:mp-364}
RD_988019797702_000 computation Reference Data From Materials Project: {formula:CaAlH5,spaceGroup:P2_1/c,id:mp-966582}
RD_988196860983_000 computation Reference Data From Materials Project: {formula:NdAl3Ni2,spaceGroup:P6/mmm,id:mp-7186}
RD_988253006371_000 computation AlPd 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': 2}
RD_988359144875_000 computation AlN in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_988432425862_000 computation Reference Data From Materials Project: {formula:YMgAl,spaceGroup:P-62m,id:mp-13090}
RD_988552576550_000 computation Reference Data From Materials Project: {formula:NaAlSi,spaceGroup:P4/nmm,id:mp-27335}
RD_988636766847_000 computation Reference Data From Materials Project: {formula:Mg32Al36Ag13,spaceGroup:Im3,id:mp-31506}
RD_988789616602_000 computation Reference Data From Materials Project: {formula:Li2AlFeO4,spaceGroup:Pca2_1,id:mp-770729}
RD_989024951450_000 computation Reference Data From Materials Project: {formula:Al3Pt2,spaceGroup:P-3m1,id:mp-10905}
RD_989438168399_000 computation Reference Data From Materials Project: {formula:Al(HO)3,spaceGroup:P1,id:mp-626103}
RD_989922724536_000 computation Reference Data From Materials Project: {formula:Ba7Al13,spaceGroup:P-3m1,id:mp-1952}
RD_989955216012_000 computation Reference Data From Materials Project: {formula:Lu2MgAl,spaceGroup:Fm-3m,id:mp-865238}
RD_990062518655_000 computation Reference Data From Materials Project: {formula:EuAlO3,spaceGroup:Pbnm,id:mp-21455}
RD_990099139508_000 computation Reference Data From Materials Project: {formula:Al(HO)3,spaceGroup:Cm,id:mp-626497}
RD_990218038587_000 computation Reference Data From Materials Project: {formula:AlAgS2,spaceGroup:P3m1,id:mp-7885}
RD_990320520200_000 computation Reference Data From Materials Project: {formula:Ba3Al2Cu2F16,spaceGroup:P2_1,id:mp-556036}
RD_990630212194_000 computation Reference Data From Materials Project: {formula:Al3P4H18C3N3O16,spaceGroup:P-1,id:mp-738697}
RD_990733440320_000 computation Reference Data From Materials Project: {formula:Al2CuO4,spaceGroup:Imma,id:mp-752645}
RD_990816857394_000 computation Reference Data From Materials Project: {formula:Zr2AlC,spaceGroup:P6_3/mmc,id:mp-3886}
RD_991569636148_000 computation Reference Data From Materials Project: {formula:Mg3(MnAl9)2,spaceGroup:Fd-3m,id:mp-684027}
RD_992014358083_000 computation AlNb in AFLOW crystal prototype A3B_tI8_139_ad_b (Al3Ti). 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': 2}
RD_992296892424_000 computation Reference Data From Materials Project: {formula:Hf5Al3,spaceGroup:P6_3/mcm,id:mp-2361}
RD_992505563880_000 computation Reference Data From Materials Project: {formula:Al2O3,spaceGroup:P2_1/m,id:mp-782035}
RD_992537459125_000 computation Reference Data From Materials Project: {formula:Zr2AlC,spaceGroup:P6_3/mmc,id:mp-3886}
RD_992612064765_000 computation Reference Data From Materials Project: {formula:MnAl,spaceGroup:Pm-3m,id:mp-12067}
RD_993308441273_000 computation Reference Data From Materials Project: {formula:Li2AlCoO4,spaceGroup:Pbn2_1,id:mp-770553}
RD_993375489139_000 computation Reference Data From Materials Project: {formula:CaAl2(SiO4)2,spaceGroup:P-1,id:mp-758658}
RD_993618918172_000 computation Reference Data From Materials Project: {formula:Al8Cr5,spaceGroup:R3m,id:mp-19954}
RD_993680386122_000 computation Reference Data From Materials Project: {formula:LuAlSi,spaceGroup:Cmcm,id:mp-567229}
RD_994627262710_000 computation Reference Data From Materials Project: {formula:GdAl7Au3,spaceGroup:R-3c,id:mp-22711}
RD_994800522947_000 computation Reference Data From Materials Project: {formula:AlTc2Pb,spaceGroup:F-43m,id:mp-631582}
RD_994833071229_000 computation AlNb in AFLOW crystal prototype A3B_tI8_139_ad_b (Al3Ti). 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': 2}
RD_994975053647_000 computation Reference Data From Materials Project: {formula:LiAlFeO4,spaceGroup:P4_322,id:mp-772390}
RD_995265337001_000 computation Reference Data From Materials Project: {formula:MnAlTc,spaceGroup:F-43m,id:mp-631551}
RD_995645272731_000 computation AlO in AFLOW crystal prototype A2B3_hR10_167_c_e (Corundum). 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_995906664996_000 computation Reference Data From Materials Project: {formula:TaAlO4,spaceGroup:Pcnb,id:mp-8898}
RD_995952429490_000 computation Reference Data From Materials Project: {formula:Al(SeCl)4,spaceGroup:Pc2_1b,id:mp-683984}
RD_995991260710_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_996123557458_000 computation Reference Data From Materials Project: {formula:AlVPt,spaceGroup:F-43m,id:mp-961668}
RD_996298556797_000 computation Reference Data From Materials Project: {formula:Al2CuO4,spaceGroup:Fd-3m,id:mp-27719}
RD_997285900963_000 computation Reference Data From Materials Project: {formula:Al2NiO4,spaceGroup:Cm,id:mp-699371}
RD_997340060542_000 computation Reference Data From Materials Project: {formula:PrAl22O34,spaceGroup:Pm,id:mp-765486}
RD_997501187792_000 computation Reference Data From Materials Project: {formula:Ba3(AlSi)2,spaceGroup:Immm,id:mp-9578}
RD_997579027668_000 computation Reference Data From Materials Project: {formula:Nd2AlNO3,spaceGroup:I4mm,id:mp-546679}
RD_997610521869_000 computation Reference Data From Materials Project: {formula:Ca(Al4Co)2,spaceGroup:Pmcb,id:mp-17871}
RD_997923332648_000 computation AlLi in AFLOW crystal prototype AB_cF16_227_a_b (NaTl). 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_998010827832_000 computation Reference Data From Materials Project: {formula:NaAl6Fe3Si6B3O30F,spaceGroup:R3m,id:mp-24954}
RD_998149899187_000 computation Reference Data From Materials Project: {formula:Li2AlVO4,spaceGroup:Pna2_1,id:mp-770522}
RD_998327778470_000 computation Reference Data From Materials Project: {formula:Ba2AlInO5,spaceGroup:P6_3/mmc,id:mp-556282}
RD_998595128419_000 computation Reference Data From Materials Project: {formula:Al(MoS2)4,spaceGroup:R3m,id:mp-554868}
RD_998696746908_000 computation Reference Data From Materials Project: {formula:AlFe3C,spaceGroup:Pm-3m,id:mp-22793}
RD_999042713513_000 computation Reference Data From Materials Project: {formula:AlN,spaceGroup:P6_3/mmc,id:mp-13178}
RD_999292914754_000 computation Reference Data From Materials Project: {formula:La3Al5O12,spaceGroup:Ia-3d,id:mp-780432}
RD_999306330393_000 computation Reference Data From Materials Project: {formula:LiCaAlF6,spaceGroup:P-31c,id:mp-6134}
RD_999459000641_000 computation Reference Data From Materials Project: {formula:AlBr4,spaceGroup:Fm-3c,id:mp-39008}
RD_999470662142_000 computation Reference Data From Materials Project: {formula:Sc3Al,spaceGroup:P6_3/mmc,id:mp-862259}
RD_999584464482_000 computation Reference Data From Materials Project: {formula:Sr11Al4In3,spaceGroup:Fm-3m,id:mp-642031}
Am
Reference Data Data Method Description
RD_120782298295_000 experiment Experimental data collected from reference material at the University of Minnesota. Prepared by reduction of AmF3 with barium at 1000C followed by 10-16 hours of vacuum-cooling.
RD_245217097975_000 experiment Experimental data collected from reference material at the University of Minnesota.
Ar
Reference Data Data Method Description
RD_025995208610_000 computation Ar 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_045931526865_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_091424769532_000 computation Vacancy Diffusion Properties from DFT Calculation: Ar, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-23155) because the author said they use similar DFT input parameters as the items in the Materials Project.
RD_263140911785_000 computation Vacancy Diffusion Properties from DFT Calculation: Ar, hcp Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-568145) because the author said they use similar DFT input parameters as the items in the Materials Project.
RD_400681826137_000 computation Reference Data From Materials Project: {formula:Ar,spaceGroup:Fm-3m,id:mp-23155}
RD_463296267316_000 computation Ar in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_508686328414_000 computation Reference Data From Materials Project: {formula:Ar,spaceGroup:Fm-3m,id:mp-23155}
RD_529461429870_000 computation Ar 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_609029296812_000 experiment Experimental data collected from reference material at the University of Minnesota. Internal Reference: Inorganic Crystal Structure Database; Pressure assumed to be standard;
RD_637624058923_000 computation Reference Data From Materials Project: {formula:Ar,spaceGroup:P6_3/mmc,id:mp-568145}
RD_666313544749_000 computation Vacancy Diffusion Properties from DFT Calculation: Ar, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-23155) because the author said they use similar DFT input parameters as the items in the Materials Project.
RD_749927279218_000 computation Ar 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_829828409048_000 computation Ar 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_897475696946_000 computation Reference Data From Materials Project: {formula:Ar,spaceGroup:P6_3/mmc,id:mp-568145}
As
Reference Data Data Method Description
RD_000110842856_000 computation Reference Data From Materials Project: {formula:NaCaAs,spaceGroup:F-43m,id:mp-961685}
RD_000218475543_000 computation As in AFLOW crystal prototype A_oC8_64_f (Black Phosphorus). 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_000321787816_000 computation Reference Data From Materials Project: {formula:KNb4AsO13,spaceGroup:P1,id:mp-695209}
RD_000807634401_000 computation Reference Data From Materials Project: {formula:K5As2Au,spaceGroup:P6_3/mmc,id:mp-8683}
RD_002017937817_000 computation Reference Data From Materials Project: {formula:Na2FeBAsO7,spaceGroup:P2_1/m,id:mp-771805}
RD_002066966039_000 computation Reference Data From Materials Project: {formula:Si3As4,spaceGroup:P-43m,id:mp-570744}
RD_002248676671_000 computation Reference Data From Materials Project: {formula:MoAs2O7,spaceGroup:P2_1/c,id:mp-505127}
RD_003368091713_000 computation Reference Data From Materials Project: {formula:NaZr2(AsO4)3,spaceGroup:R-3c,id:mp-553912}
RD_003635718234_000 computation Reference Data From Materials Project: {formula:HoAsO4,spaceGroup:P2_1/c,id:mp-777787}
RD_003834488667_000 computation Reference Data From Materials Project: {formula:Na2CrAsCO7,spaceGroup:P2_1/m,id:mp-771511}
RD_004249728889_000 computation Reference Data From Materials Project: {formula:Zn3(AsO4)2,spaceGroup:P2_1/c,id:mp-15483}
RD_005367465596_000 computation Reference Data From Materials Project: {formula:Sr4As2O,spaceGroup:I4/mmm,id:mp-8299}
RD_005518722347_000 computation Reference Data From Materials Project: {formula:Na6Fe2B4AsO16,spaceGroup:Fd3,id:mp-770768}
RD_006994296540_000 computation Reference Data From Materials Project: {formula:MgTlAs(H6O5)2,spaceGroup:Pnm2_1,id:mp-556009}
RD_007307543377_000 computation Reference Data From Materials Project: {formula:AlAs3(SeCl)4,spaceGroup:C2/c,id:mp-567734}
RD_009948493473_000 computation Reference Data From Materials Project: {formula:Ge2Te5As2,spaceGroup:P-3m1,id:mp-14791}
RD_010492688148_000 computation Reference Data From Materials Project: {formula:SmAsPd,spaceGroup:P6_3mc,id:mp-8951}
RD_010965985021_000 computation Reference Data From Materials Project: {formula:NdAgAs2,spaceGroup:P4/nmm,id:mp-10816}
RD_011083199093_000 computation Reference Data From Materials Project: {formula:As2Ir,spaceGroup:P2_1/c,id:mp-15649}
RD_011889861308_000 computation Reference Data From Materials Project: {formula:Hg(AsO3)2,spaceGroup:P-31m,id:mp-3810}
RD_012515199738_000 computation AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2}
RD_013062495845_000 computation Reference Data From Materials Project: {formula:Cu3(AsO4)2,spaceGroup:P2_1/c,id:mp-554614}
RD_013089123798_000 computation Reference Data From Materials Project: {formula:Cs3As,spaceGroup:P6_3cm,id:mp-542220}
RD_013168535051_000 computation Reference Data From Materials Project: {formula:EuCuAs,spaceGroup:P6_3/mmc,id:mp-22277}
RD_013323066388_000 computation Reference Data From Materials Project: {formula:HfAsRh,spaceGroup:F-43m,id:mp-961719}
RD_013439249722_000 computation Reference Data From Materials Project: {formula:AsS(ClF2)3,spaceGroup:P2_12_12_1,id:mp-556705}
RD_014044032918_000 computation As in AFLOW crystal prototype A_hR2_166_c (alpha-As). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_014065293566_000 computation Reference Data From Materials Project: {formula:ZrAs,spaceGroup:P6_3/mmc,id:mp-1682}
RD_014792328598_000 computation Reference Data From Materials Project: {formula:Li3AlMo2(AsO7)2,spaceGroup:P-1,id:mp-565625}
RD_015506642635_000 computation Reference Data From Materials Project: {formula:Na5Bi2As(CO4)4,spaceGroup:Fd2d,id:mp-776697}
RD_015605447992_000 computation Reference Data From Materials Project: {formula:RbCaAs,spaceGroup:P4/nmm,id:mp-9845}
RD_015825220918_000 computation Reference Data From Materials Project: {formula:Bi6As9Se4S10(O4F13)5,spaceGroup:P-1,id:mp-556278}
RD_016085942066_000 computation Reference Data From Materials Project: {formula:Sr(CrAs)2,spaceGroup:I4/mmm,id:mp-570031}
RD_016671773077_000 computation Reference Data From Materials Project: {formula:Ca3GaAs3,spaceGroup:Pmnb,id:mp-541062}
RD_017170476149_000 computation Reference Data From Materials Project: {formula:Zr2NiAs2,spaceGroup:P6_3/mmc,id:mp-8786}
RD_017417914052_000 computation Reference Data From Materials Project: {formula:Cr2AsSe,spaceGroup:P-6m2,id:mp-676270}
RD_017825299573_000 computation Reference Data From Materials Project: {formula:Li2CeAs2,spaceGroup:P-3m1,id:mp-8152}
RD_017932628546_000 computation Reference Data From Materials Project: {formula:HgAs4(S2I)2,spaceGroup:P2_1/c,id:mp-554735}
RD_019430143280_000 computation Reference Data From Materials Project: {formula:As(IF3)2,spaceGroup:C2/m,id:mp-558244}
RD_019851430804_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_020705272830_000 computation Reference Data From Materials Project: {formula:Sr5As3ClO12,spaceGroup:P6_3/m,id:mp-559965}
RD_020830332548_000 computation Reference Data From Materials Project: {formula:ErAs,spaceGroup:Fm-3m,id:mp-1688}
RD_021554357094_000 computation Reference Data From Materials Project: {formula:Na3NiBAsO7,spaceGroup:P2_1/m,id:mp-771589}
RD_023302019697_000 computation Reference Data From Materials Project: {formula:Sr(As2Rh3)2,spaceGroup:P-6m2,id:mp-16045}
RD_024186762690_000 computation Reference Data From Materials Project: {formula:TiAsRh,spaceGroup:F-43m,id:mp-961718}
RD_024398522513_000 computation Reference Data From Materials Project: {formula:AsO2,spaceGroup:Pmcn,id:mp-27356}
RD_024864601235_000 computation Reference Data From Materials Project: {formula:NiAs,spaceGroup:P6_3/mmc,id:mp-2347}
RD_026137190278_000 computation Reference Data From Materials Project: {formula:BaHf2As,spaceGroup:Fm-3m,id:mp-631569}
RD_026500332581_000 computation Reference Data From Materials Project: {formula:TaAsO4,spaceGroup:Cmc2_1,id:mp-756401}
RD_026529320929_000 computation Reference Data From Materials Project: {formula:CuAsSe2,spaceGroup:I-42d,id:mp-33975}
RD_027135895261_000 computation Reference Data From Materials Project: {formula:KAs2F7,spaceGroup:P2_1/c,id:mp-28085}
RD_028826380851_000 computation Reference Data From Materials Project: {formula:K4HgAs2,spaceGroup:R-3m,id:mp-29484}
RD_029385079489_000 computation Reference Data From Materials Project: {formula:AgHg3As2Cl3,spaceGroup:C2/c,id:mp-567890}
RD_030346576755_000 computation Reference Data From Materials Project: {formula:CuAsO3,spaceGroup:R-3,id:mp-776320}
RD_030557284772_000 computation Reference Data From Materials Project: {formula:Ba4As2O,spaceGroup:I4/mmm,id:mp-8300}
RD_032318425380_000 computation Reference Data From Materials Project: {formula:SnAsF7,spaceGroup:R32,id:mp-27405}
RD_033023228378_000 computation Reference Data From Materials Project: {formula:Ce(NiAs)2,spaceGroup:I4/mmm,id:mp-21006}
RD_033417010921_000 computation AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2}
RD_033488894357_000 computation Reference Data From Materials Project: {formula:Ca(MgAs)2,spaceGroup:P-3m1,id:mp-9564}
RD_033766201984_000 computation Reference Data From Materials Project: {formula:As2Pb14Cl4O17,spaceGroup:C2/c,id:mp-680722}
RD_034507608615_000 computation Reference Data From Materials Project: {formula:PrAgAs2,spaceGroup:Pmcn,id:mp-4308}
RD_034520075087_000 computation Reference Data From Materials Project: {formula:HoAs,spaceGroup:Fm-3m,id:mp-295}
RD_035080979267_000 computation Reference Data From Materials Project: {formula:MgAsPt5,spaceGroup:P4/mmm,id:mp-865146}
RD_035940759632_000 computation Reference Data From Materials Project: {formula:As4S11(N6Cl7)2,spaceGroup:P-42_1c,id:mp-706455}
RD_036033946983_000 computation Reference Data From Materials Project: {formula:Ba4GeAs4,spaceGroup:P-43n,id:mp-14002}
RD_036160764884_000 computation Reference Data From Materials Project: {formula:Ho2NiAs2,spaceGroup:P6_3/mmc,id:mp-8787}
RD_036364255819_000 computation Reference Data From Materials Project: {formula:KZnAs,spaceGroup:P6_3/mmc,id:mp-7421}
RD_037145345946_000 computation Reference Data From Materials Project: {formula:Hg(AsO3)2,spaceGroup:P-31m,id:mp-3810}
RD_037212288884_000 computation Reference Data From Materials Project: {formula:Na3MnAsCO7,spaceGroup:P2_1/m,id:mp-771476}
RD_037751884328_000 computation Reference Data From Materials Project: {formula:Tb2Ni12As7,spaceGroup:P-6,id:mp-867324}
RD_037967248068_000 computation Reference Data From Materials Project: {formula:U2AsN2,spaceGroup:P-3m1,id:mp-3583}
RD_038221494329_000 computation AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2}
RD_038901102550_000 computation Reference Data From Materials Project: {formula:CsScAs2(HO4)2,spaceGroup:P2_1/c,id:mp-542557}
RD_038988578994_000 computation Reference Data From Materials Project: {formula:PrAsO4,spaceGroup:I4_1/a,id:mp-754109}
RD_039589305924_000 computation Reference Data From Materials Project: {formula:Na3As,spaceGroup:P6_3/mmc,id:mp-1136}
RD_039746440215_000 computation Reference Data From Materials Project: {formula:FeAs4F18,spaceGroup:P2_1/c,id:mp-559585}
RD_039990153850_000 computation Reference Data From Materials Project: {formula:GdAsO3,spaceGroup:P2_1/c,id:mp-753953}
RD_040053477926_000 computation Reference Data From Materials Project: {formula:Sr(CuAs)2,spaceGroup:I4/mmm,id:mp-4861}
RD_040725043479_000 computation Reference Data From Materials Project: {formula:Mn(AsO2)2,spaceGroup:P4_2/mbc,id:mp-761310}
RD_041122672923_000 computation Reference Data From Materials Project: {formula:Sr5As3O12F,spaceGroup:P6_3/m,id:mp-17777}
RD_041219892562_000 computation As in AFLOW crystal prototype A_hR2_166_c (alpha-As). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_042279938527_000 computation Reference Data From Materials Project: {formula:Rb2SiAs2,spaceGroup:Imcb,id:mp-6960}
RD_042917861022_000 computation Reference Data From Materials Project: {formula:VAsO5,spaceGroup:Pnma,id:mp-543108}
RD_043601882889_000 computation Reference Data From Materials Project: {formula:BAsPbO5,spaceGroup:P3_1,id:mp-22430}
RD_043802601439_000 computation Reference Data From Materials Project: {formula:K4ZnAs2,spaceGroup:R-3m,id:mp-571461}
RD_044903694425_000 computation Reference Data From Materials Project: {formula:AgAsS2,spaceGroup:C2/c,id:mp-542609}
RD_045012795428_000 computation Reference Data From Materials Project: {formula:Zn3(AsO4)2,spaceGroup:P2_1/c,id:mp-16834}
RD_045538133132_000 computation Reference Data From Materials Project: {formula:CoAsRh,spaceGroup:Pmnb,id:mp-22546}
RD_045890457212_000 computation Reference Data From Materials Project: {formula:NaZnAsO4,spaceGroup:P6_3,id:mp-6566}
RD_047125991799_000 computation Reference Data From Materials Project: {formula:K2Cr2AsHO10,spaceGroup:P3_2,id:mp-744205}
RD_047892467550_000 computation Reference Data From Materials Project: {formula:SmAs,spaceGroup:Fm-3m,id:mp-1738}
RD_047958124231_000 computation Reference Data From Materials Project: {formula:Yb2Ni12As7,spaceGroup:P-6,id:mp-865923}
RD_050025265443_000 computation Reference Data From Materials Project: {formula:Mn4As3,spaceGroup:C2/m,id:mp-9305}
RD_050481433844_000 computation Reference Data From Materials Project: {formula:As2S3(NF6)2,spaceGroup:C2,id:mp-541204}
RD_050759768577_000 computation Reference Data From Materials Project: {formula:Na2MnAsCO7,spaceGroup:P2_1/m,id:mp-773119}
RD_051658864369_000 computation Reference Data From Materials Project: {formula:AsSeBr,spaceGroup:F-43m,id:mp-631257}
RD_051770546433_000 computation AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2}
RD_052797306607_000 computation Reference Data From Materials Project: {formula:AsI3,spaceGroup:R-3,id:mp-23218}
RD_052982149545_000 computation Reference Data From Materials Project: {formula:Zn3As2,spaceGroup:I4_1/acd,id:mp-568240}
RD_053519819674_000 computation Reference Data From Materials Project: {formula:Th3As4,spaceGroup:I-43d,id:mp-382}
RD_053593863260_000 computation Reference Data From Materials Project: {formula:Sr(As3Pt2)2,spaceGroup:C2/c,id:mp-14500}
RD_053605550624_000 computation Reference Data From Materials Project: {formula:BaAsPd,spaceGroup:P-6m2,id:mp-9744}
RD_054161234255_000 computation Reference Data From Materials Project: {formula:Na3Sr3GaAs4,spaceGroup:P6_3mc,id:mp-10097}
RD_054306416775_000 computation Reference Data From Materials Project: {formula:Ba(Hf2As3)6,spaceGroup:P1,id:mp-686673}
RD_054306819844_000 computation Reference Data From Materials Project: {formula:SmAs,spaceGroup:Fm-3m,id:mp-1738}
RD_056723355363_000 computation Reference Data From Materials Project: {formula:SrAsPt,spaceGroup:P6_3/mmc,id:mp-8456}
RD_056847520199_000 computation Reference Data From Materials Project: {formula:LiAsF6,spaceGroup:R-3,id:mp-9144}
RD_056956033760_000 computation Reference Data From Materials Project: {formula:Eu(NiAs)2,spaceGroup:I4/mmm,id:mp-6992}
RD_057682157724_000 computation Reference Data From Materials Project: {formula:KCu4AsS4,spaceGroup:P2_1,id:mp-557728}
RD_058054785983_000 computation Reference Data From Materials Project: {formula:SnAs,spaceGroup:Fm-3m,id:mp-2182}
RD_058320931682_000 computation Reference Data From Materials Project: {formula:Cs5In3As4,spaceGroup:P2_1/c,id:mp-582182}
RD_059105631402_000 computation Reference Data From Materials Project: {formula:SbAsAuF9,spaceGroup:P2_1/c,id:mp-758923}
RD_059165884646_000 computation Reference Data From Materials Project: {formula:Zn2As2O7,spaceGroup:C2/m,id:mp-754262}
RD_059545102614_000 computation Reference Data From Materials Project: {formula:K(AsRh)2,spaceGroup:I4/mmm,id:mp-34232}
RD_061621887160_000 computation Reference Data From Materials Project: {formula:As2Pb2S5,spaceGroup:P2_1,id:mp-608653}
RD_061722360893_000 computation Reference Data From Materials Project: {formula:NaSbAsCO7,spaceGroup:P2_1,id:mp-768815}
RD_062100518819_000 computation Reference Data From Materials Project: {formula:Ca(CdAs)2,spaceGroup:P-3m1,id:mp-7067}
RD_062526213388_000 computation Reference Data From Materials Project: {formula:CoAs3,spaceGroup:Im3,id:mp-672216}
RD_062758924260_000 computation Reference Data From Materials Project: {formula:Na3Sr3GaAs4,spaceGroup:P6_3mc,id:mp-10097}
RD_062768154326_000 computation Reference Data From Materials Project: {formula:Cs2SnAs2,spaceGroup:Imcb,id:mp-8934}
RD_064865098382_000 computation Reference Data From Materials Project: {formula:Mg3As2,spaceGroup:Ia3,id:mp-1990}
RD_065601541322_000 computation Reference Data From Materials Project: {formula:Cd2As2O7,spaceGroup:C2/m,id:mp-10486}
RD_065733643025_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_065768405215_000 computation Reference Data From Materials Project: {formula:Cs5GeAs3,spaceGroup:Pmnb,id:mp-616141}
RD_065905089606_000 computation Reference Data From Materials Project: {formula:K3As,spaceGroup:P6_3/mmc,id:mp-14018}
RD_065984882602_000 computation Reference Data From Materials Project: {formula:CoAs3,spaceGroup:Im3,id:mp-672216}
RD_067111923226_000 computation Reference Data From Materials Project: {formula:MnFeAs,spaceGroup:P4/nmm,id:mp-505803}
RD_067125193399_000 computation Reference Data From Materials Project: {formula:Mg(BeAs)2,spaceGroup:P-3m1,id:mp-865185}
RD_067275953428_000 computation As in AFLOW crystal prototype A_hR2_166_c (alpha-As). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_067309326860_000 computation Reference Data From Materials Project: {formula:AsS,spaceGroup:P1,id:mp-684081}
RD_067314725470_000 computation Reference Data From Materials Project: {formula:Na4Cu(AsO4)2,spaceGroup:P-1,id:mp-555821}
RD_067531228806_000 computation Reference Data From Materials Project: {formula:AlAs,spaceGroup:P6_3/mmc,id:mp-11209}
RD_067856256670_000 computation Reference Data From Materials Project: {formula:AsPdSe,spaceGroup:P2_13,id:mp-10849}
RD_068627261476_000 computation Reference Data From Materials Project: {formula:Ba2ScFeAsO3,spaceGroup:P4/nmm,id:mp-863842}
RD_069448562288_000 computation Reference Data From Materials Project: {formula:As3Pb5ClO12,spaceGroup:P6_3/m,id:mp-645291}
RD_069482842122_000 computation Reference Data From Materials Project: {formula:TlAsSe2,spaceGroup:P2_1/c,id:mp-30236}
RD_069941166407_000 computation Reference Data From Materials Project: {formula:HgAsS2,spaceGroup:Pc,id:mp-685555}
RD_070086616188_000 computation Reference Data From Materials Project: {formula:AgAsS6N4(OF3)2,spaceGroup:Pcca,id:mp-649756}
RD_070434941009_000 computation Reference Data From Materials Project: {formula:LaAs,spaceGroup:P4/mmm,id:mp-20494}
RD_070442868042_000 computation Reference Data From Materials Project: {formula:Eu(AsPd)2,spaceGroup:Cm,id:mp-672213}
RD_070783192866_000 computation Reference Data From Materials Project: {formula:K(CoAs)2,spaceGroup:I4/mmm,id:mp-569408}
RD_073448933059_000 computation Reference Data From Materials Project: {formula:Sr5As3,spaceGroup:P6_3/mcm,id:mp-15698}
RD_074378057152_000 computation Reference Data From Materials Project: {formula:Li4Be3As3ClO12,spaceGroup:P-43n,id:mp-560072}
RD_074918167002_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_075851663222_000 computation Reference Data From Materials Project: {formula:NbNiAs2,spaceGroup:Pmnb,id:mp-504835}
RD_075977828492_000 computation Reference Data From Materials Project: {formula:Hg6MoAs4Cl7,spaceGroup:Pa3,id:mp-568757}
RD_076036233816_000 computation Reference Data From Materials Project: {formula:CaAs2HF13,spaceGroup:P2_1/c,id:mp-778977}
RD_076415531836_000 computation Reference Data From Materials Project: {formula:CrNiAs,spaceGroup:P-62m,id:mp-4989}
RD_076741339886_000 computation Reference Data From Materials Project: {formula:Nb2AsC,spaceGroup:P6_3/mmc,id:mp-9989}
RD_077323181453_000 computation Reference Data From Materials Project: {formula:Rb2As3,spaceGroup:Fmmm,id:mp-15556}
RD_078791986880_000 computation Reference Data From Materials Project: {formula:Mg4As6Rh7,spaceGroup:Im-3m,id:mp-22326}
RD_079070651578_000 computation Reference Data From Materials Project: {formula:Ca(MgAs)2,spaceGroup:P-3m1,id:mp-9564}
RD_080382520374_000 computation Reference Data From Materials Project: {formula:Sn3As4,spaceGroup:P-43m,id:mp-570377}
RD_081280211198_000 computation Reference Data From Materials Project: {formula:CdAs2C4SN4(OF6)2,spaceGroup:Pmcn,id:mp-651073}
RD_081299869073_000 computation Reference Data From Materials Project: {formula:Mg17(As3O16)2,spaceGroup:P2/m,id:mp-757303}
RD_082401584015_000 computation Reference Data From Materials Project: {formula:Cs6InAs3,spaceGroup:P2_1/m,id:mp-22506}
RD_082897160593_000 computation Reference Data From Materials Project: {formula:K2NaGaAs2,spaceGroup:Imcb,id:mp-9676}
RD_083029376618_000 computation Reference Data From Materials Project: {formula:As2Cl3OF5,spaceGroup:P2_1/c,id:mp-557417}
RD_083371154359_000 computation Reference Data From Materials Project: {formula:Hg3AsClO4,spaceGroup:P2_13,id:mp-23644}
RD_083405815751_000 computation Reference Data From Materials Project: {formula:CaAsAu,spaceGroup:P6_3/mmc,id:mp-3927}
RD_084652558593_000 computation Reference Data From Materials Project: {formula:UTeAs,spaceGroup:P4/nmm,id:mp-10105}
RD_085715894460_000 computation Reference Data From Materials Project: {formula:AsBr3,spaceGroup:P2_12_12_1,id:mp-23317}
RD_086145138759_000 computation Reference Data From Materials Project: {formula:Cu7As6Se13,spaceGroup:R3,id:mp-540665}
RD_086424111926_000 computation Reference Data From Materials Project: {formula:Ba5As3,spaceGroup:P6_3/mcm,id:mp-10045}
RD_087081122604_000 computation Reference Data From Materials Project: {formula:CaAs2(XeF5)4,spaceGroup:P2_1,id:mp-557180}
RD_087393879133_000 computation Reference Data From Materials Project: {formula:Te2AsCNF6,spaceGroup:P2_1/c,id:mp-558138}
RD_087608831283_000 computation Reference Data From Materials Project: {formula:LiAsO3,spaceGroup:C2/c,id:mp-559767}
RD_087738080286_000 computation Reference Data From Materials Project: {formula:AsRh2,spaceGroup:Fm-3m,id:mp-2302}
RD_088392843219_000 computation Reference Data From Materials Project: {formula:TlAsS2,spaceGroup:P2_1/c,id:mp-4988}
RD_088529437026_000 computation Reference Data From Materials Project: {formula:NaCuAsO4,spaceGroup:P2_1/c,id:mp-559209}
RD_088620058180_000 computation Reference Data From Materials Project: {formula:Ca3AsBr3,spaceGroup:Pm-3m,id:mp-27294}
RD_089292510799_000 computation Reference Data From Materials Project: {formula:K3Bi2(AsO4)3,spaceGroup:C2/c,id:mp-561369}
RD_089355199057_000 computation Reference Data From Materials Project: {formula:La3AsI3,spaceGroup:I4_132,id:mp-29997}
RD_089862421304_000 computation Reference Data From Materials Project: {formula:PaAs,spaceGroup:Fm-3m,id:mp-15694}
RD_090415637466_000 computation Reference Data From Materials Project: {formula:Hg3As8(S4Br3)2,spaceGroup:P2_1/c,id:mp-555833}
RD_091509588180_000 computation Reference Data From Materials Project: {formula:LaAs,spaceGroup:Fm-3m,id:mp-708}
RD_091608654109_000 computation Reference Data From Materials Project: {formula:V3As,spaceGroup:Pm-3n,id:mp-292}
RD_092460635261_000 computation Reference Data From Materials Project: {formula:LiSnAsCO7,spaceGroup:P2_1,id:mp-771890}
RD_093026068407_000 computation Reference Data From Materials Project: {formula:Pr(CoAs)2,spaceGroup:I4/mmm,id:mp-571008}
RD_093548527503_000 computation Reference Data From Materials Project: {formula:Co2As2O5,spaceGroup:P-1,id:mp-705094}
RD_094062565466_000 computation Reference Data From Materials Project: {formula:KAsSe2,spaceGroup:Cc,id:mp-14659}
RD_095604448899_000 computation Reference Data From Materials Project: {formula:As2PbO6,spaceGroup:P-31m,id:mp-20015}
RD_095729169183_000 computation Reference Data From Materials Project: {formula:MnAsPd2,spaceGroup:Fm-3m,id:mp-12559}
RD_095879685751_000 computation Reference Data From Materials Project: {formula:NdFeAsO,spaceGroup:P4/nmm,id:mp-622621}
RD_095968880839_000 computation Reference Data From Materials Project: {formula:Cu2BiAsO6,spaceGroup:Pmcn,id:mp-669361}
RD_095978103568_000 computation Reference Data From Materials Project: {formula:CeFeAsO,spaceGroup:P4mm,id:mp-605060}
RD_096595863207_000 computation Reference Data From Materials Project: {formula:Li3MnAsCO7,spaceGroup:P2_1/m,id:mp-771444}
RD_096608096157_000 computation Reference Data From Materials Project: {formula:YAs,spaceGroup:Fm-3m,id:mp-933}
RD_097125476196_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_098221512460_000 computation Reference Data From Materials Project: {formula:SmAsPd,spaceGroup:P6_3mc,id:mp-8951}
RD_098665009700_000 computation Reference Data From Materials Project: {formula:Rb2GaAs2,spaceGroup:P2_1/c,id:mp-15416}
RD_099046266347_000 computation Reference Data From Materials Project: {formula:TeAs(Se2F3)2,spaceGroup:Pcan,id:mp-650674}
RD_101110668438_000 computation Reference Data From Materials Project: {formula:Ag3AsO4,spaceGroup:P-43n,id:mp-5408}
RD_101539417226_000 computation Reference Data From Materials Project: {formula:SrMo2(AsO6)2,spaceGroup:P2_1/c,id:mp-555824}
RD_101797167657_000 computation Reference Data From Materials Project: {formula:Cs3As5O9,spaceGroup:P31m,id:mp-30300}
RD_102218168823_000 computation Reference Data From Materials Project: {formula:Fe2CoAs2(H5O7)2,spaceGroup:P2_1/c,id:mp-542798}
RD_102223619749_000 computation Reference Data From Materials Project: {formula:NaScAs2O7,spaceGroup:C2,id:mp-550925}
RD_102405652561_000 computation Reference Data From Materials Project: {formula:Mn2ZnAs2,spaceGroup:P-3m1,id:mp-8322}
RD_103354989712_000 computation Reference Data From Materials Project: {formula:TaAsPb2,spaceGroup:Fm-3m,id:mp-631686}
RD_103743617050_000 computation Reference Data From Materials Project: {formula:AgAsF6,spaceGroup:Fm-3m,id:mp-37153}
RD_103838973339_000 computation Reference Data From Materials Project: {formula:As24S25,spaceGroup:P1,id:mp-684856}
RD_104112525925_000 computation Reference Data From Materials Project: {formula:CeAs,spaceGroup:Fm-3m,id:mp-2748}
RD_105028450407_000 computation Reference Data From Materials Project: {formula:VAs2H4O9,spaceGroup:P4/ncc,id:mp-541267}
RD_105309459233_000 computation Reference Data From Materials Project: {formula:Cr2As,spaceGroup:P4/nmm,id:mp-20552}
RD_105432470801_000 computation Reference Data From Materials Project: {formula:BaZn2As3HO11,spaceGroup:P2_1/c,id:mp-758313}
RD_105491578787_000 computation Reference Data From Materials Project: {formula:AsH5COF6,spaceGroup:P2_1/m,id:mp-557908}
RD_105867055887_000 computation Reference Data From Materials Project: {formula:Li4Be3As3ClO12,spaceGroup:P-43n,id:mp-560072}
RD_105943473012_000 computation Reference Data From Materials Project: {formula:Zn4As2O9,spaceGroup:P2_1/c,id:mp-555797}
RD_107932913821_000 computation Reference Data From Materials Project: {formula:Ba2AsAu,spaceGroup:Fm-3m,id:mp-861937}
RD_108080531451_000 computation Reference Data From Materials Project: {formula:Na3In2(AsO4)3,spaceGroup:C2/c,id:mp-22804}
RD_108366787143_000 computation AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2}
RD_108522059099_000 computation Reference Data From Materials Project: {formula:Li2PrAs2,spaceGroup:P-3m1,id:mp-7778}
RD_109248150500_000 computation Reference Data From Materials Project: {formula:AgAs(XeF5)2,spaceGroup:I4/mcm,id:mp-557631}
RD_109651731015_000 computation Reference Data From Materials Project: {formula:KTiAsO5,spaceGroup:Pc2_1n,id:mp-6488}
RD_110293023841_000 computation Reference Data From Materials Project: {formula:BAsO4,spaceGroup:I-4,id:mp-3277}
RD_110782593734_000 computation Reference Data From Materials Project: {formula:As8S9,spaceGroup:P1,id:mp-673654}
RD_110931412239_000 computation Reference Data From Materials Project: {formula:RbAs2H5O8,spaceGroup:Pbca,id:mp-699453}
RD_111028518450_000 computation Reference Data From Materials Project: {formula:Na5Bi2As(CO4)4,spaceGroup:F222,id:mp-776274}
RD_111333697957_000 computation Reference Data From Materials Project: {formula:AgAsF7,spaceGroup:Pmnb,id:mp-4807}
RD_111524714307_000 computation Reference Data From Materials Project: {formula:Na5Co2As(CO4)4,spaceGroup:F222,id:mp-779756}
RD_111529217504_000 computation Reference Data From Materials Project: {formula:ZrCoAs,spaceGroup:F-43m,id:mp-961689}
RD_111602506095_000 computation Reference Data From Materials Project: {formula:Li31Zr2As13,spaceGroup:R3m,id:mp-34355}
RD_112074222345_000 computation Reference Data From Materials Project: {formula:MnNbAs,spaceGroup:F-43m,id:mp-961666}
RD_113098830661_000 computation Reference Data From Materials Project: {formula:KZr2(AsO4)3,spaceGroup:R-3c,id:mp-541282}
RD_113194322264_000 computation As in AFLOW crystal prototype A_cP1_221_a (alpha-Po). 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_114441780336_000 computation Reference Data From Materials Project: {formula:Ga4Hg11(AsBr4)4,spaceGroup:C2/m,id:mp-669455}
RD_116413592043_000 computation Reference Data From Materials Project: {formula:K8NbAs5Pb,spaceGroup:C2/c,id:mp-567424}
RD_116536075733_000 computation Reference Data From Materials Project: {formula:ZnSiAs2,spaceGroup:I-42d,id:mp-3595}
RD_117088407952_000 computation Reference Data From Materials Project: {formula:Na6Cr2As(CO4)4,spaceGroup:Fd3,id:mp-770747}
RD_117300574650_000 computation Reference Data From Materials Project: {formula:V2AsC,spaceGroup:P6_3/mmc,id:mp-10046}
RD_117396459767_000 computation Reference Data From Materials Project: {formula:Li2CrAsCO7,spaceGroup:P2_1/m,id:mp-773176}
RD_117412061119_000 computation Reference Data From Materials Project: {formula:TlCoAs2,spaceGroup:Fm-3m,id:mp-631563}
RD_117929618695_000 computation Reference Data From Materials Project: {formula:SmNiAs,spaceGroup:P-6m2,id:mp-16734}
RD_117993418008_000 computation Reference Data From Materials Project: {formula:KHgAs,spaceGroup:P6_3/mmc,id:mp-7420}
RD_118073673618_000 computation Reference Data From Materials Project: {formula:Eu(AsRh)2,spaceGroup:I4/mmm,id:mp-638841}
RD_119383191784_000 computation Reference Data From Materials Project: {formula:ZnAs2C6S12N12(OF2)6,spaceGroup:P-3,id:mp-556173}
RD_119705885726_000 computation Reference Data From Materials Project: {formula:CeCdAsO,spaceGroup:P4/nmm,id:mp-10316}
RD_119884678868_000 computation Reference Data From Materials Project: {formula:Yb(As2Rh3)2,spaceGroup:P-6m2,id:mp-20082}
RD_119941624239_000 computation Reference Data From Materials Project: {formula:Pr2Ni12As7,spaceGroup:P-6,id:mp-861597}
RD_120329128478_000 computation Reference Data From Materials Project: {formula:Mn2AsHO5,spaceGroup:P2_1/c,id:mp-766716}
RD_120595989679_000 computation Reference Data From Materials Project: {formula:K3As11,spaceGroup:Pnca,id:mp-541000}
RD_120654509036_000 computation Reference Data From Materials Project: {formula:K7TaAs4,spaceGroup:P2_1nm,id:mp-18073}
RD_121472306525_000 computation Reference Data From Materials Project: {formula:NaAsSe2,spaceGroup:I4_1/amd,id:mp-34663}
RD_122464120993_000 computation Reference Data From Materials Project: {formula:TlAsO4,spaceGroup:I4_1/a,id:mp-754214}
RD_122482318002_000 computation Reference Data From Materials Project: {formula:Co3(AsO4)2,spaceGroup:I-4,id:mp-863909}
RD_122613944507_000 computation Reference Data From Materials Project: {formula:InFeAs,spaceGroup:F-43m,id:mp-631472}
RD_122633409664_000 computation Reference Data From Materials Project: {formula:As2Pb3O8,spaceGroup:P2_1/c,id:mp-505368}
RD_122953894697_000 computation Reference Data From Materials Project: {formula:Eu(Cu2As)2,spaceGroup:R-3m,id:mp-10442}
RD_123025025659_000 computation Reference Data From Materials Project: {formula:NiAs2,spaceGroup:Pa3,id:mp-21873}
RD_123040289026_000 computation Reference Data From Materials Project: {formula:CdHg6(As2Br3)2,spaceGroup:Pa3,id:mp-567910}
RD_123155353284_000 computation Reference Data From Materials Project: {formula:BaAsPd,spaceGroup:P-6m2,id:mp-9744}
RD_123365062512_000 computation Reference Data From Materials Project: {formula:GaAsO4,spaceGroup:P3_121,id:mp-3996}
RD_123680764416_000 computation Reference Data From Materials Project: {formula:Sr(ZnAs)2,spaceGroup:P-3m1,id:mp-7770}
RD_123916494785_000 computation Reference Data From Materials Project: {formula:LiMgAs,spaceGroup:F-43m,id:mp-12558}
RD_124677885498_000 computation Reference Data From Materials Project: {formula:TbAs,spaceGroup:Fm-3m,id:mp-2640}
RD_126476621215_000 computation Reference Data From Materials Project: {formula:TiAs2,spaceGroup:Pmnn,id:mp-604647}
RD_127033263466_000 computation Reference Data From Materials Project: {formula:Ca3Cu3(AsO4)4,spaceGroup:P2_1/c,id:mp-555937}
RD_127371392411_000 computation Reference Data From Materials Project: {formula:AsS2N2OF9,spaceGroup:P1,id:mp-695196}
RD_127520876039_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_128074276467_000 computation Reference Data From Materials Project: {formula:Ba(GeAs)2,spaceGroup:P4_2mc,id:mp-27810}
RD_128445608526_000 computation Reference Data From Materials Project: {formula:RbScAs2O7,spaceGroup:P2_1/c,id:mp-554223}
RD_128458698141_000 computation Reference Data From Materials Project: {formula:KNiAs3F18,spaceGroup:Pbnm,id:mp-566733}
RD_128517655122_000 computation Reference Data From Materials Project: {formula:Na5GeAs3,spaceGroup:P2_1/c,id:mp-16861}
RD_129765044094_000 computation Reference Data From Materials Project: {formula:TmAsO4,spaceGroup:P2_1/c,id:mp-756550}
RD_130151127329_000 computation Reference Data From Materials Project: {formula:Ba2As2S5,spaceGroup:Pc2_1b,id:mp-28134}
RD_131296714750_000 computation Reference Data From Materials Project: {formula:CuAs,spaceGroup:P6_3/mmc,id:mp-12070}
RD_131662216551_000 computation Reference Data From Materials Project: {formula:Mg3(AsO4)2,spaceGroup:Cmce,id:mp-770741}
RD_132488129407_000 computation Reference Data From Materials Project: {formula:Ba4GeAs4,spaceGroup:P-43n,id:mp-14002}
RD_133308318876_000 computation Reference Data From Materials Project: {formula:TeAs(ClF2)3,spaceGroup:P2_1/c,id:mp-556325}
RD_133635836206_000 computation Reference Data From Materials Project: {formula:CaAs2H6F18,spaceGroup:P2_1/c,id:mp-758814}
RD_134337094929_000 computation Reference Data From Materials Project: {formula:Eu(MnAs)2,spaceGroup:P-3m1,id:mp-20128}
RD_134938960470_000 computation Reference Data From Materials Project: {formula:Na2CoBAsO7,spaceGroup:P2_1/m,id:mp-772330}
RD_136170059177_000 computation Reference Data From Materials Project: {formula:K4AsH5S3O16,spaceGroup:P-1,id:mp-557941}
RD_137377087924_000 computation Reference Data From Materials Project: {formula:Li3NdAs2,spaceGroup:P-3m1,id:mp-8406}
RD_137759825558_000 computation Reference Data From Materials Project: {formula:TiAsRh,spaceGroup:F-43m,id:mp-961718}
RD_138471097045_000 computation Reference Data From Materials Project: {formula:Hg2AsF6,spaceGroup:I4_1/amd,id:mp-675640}
RD_138511645908_000 computation Reference Data From Materials Project: {formula:Cu3As,spaceGroup:P-3c1,id:mp-8066}
RD_139427157325_000 computation Reference Data From Materials Project: {formula:Cu6Hg3(AsS3)4,spaceGroup:R3,id:mp-6287}
RD_139779529765_000 computation Reference Data From Materials Project: {formula:Na2AsPCO7,spaceGroup:P2_1/m,id:mp-767546}
RD_140131552869_000 computation Reference Data From Materials Project: {formula:CaZnAsHO5,spaceGroup:P2_12_12_1,id:mp-24018}
RD_140154140970_000 computation Reference Data From Materials Project: {formula:Eu4As3,spaceGroup:I-43d,id:mp-20995}
RD_140222549408_000 computation Reference Data From Materials Project: {formula:CsAs2Se3,spaceGroup:Pmcn,id:mp-645172}
RD_140574331240_000 computation Reference Data From Materials Project: {formula:TaAsO4,spaceGroup:Pnna,id:mp-770359}
RD_141345263790_000 computation Reference Data From Materials Project: {formula:SrAsPt,spaceGroup:P6_3/mmc,id:mp-8456}
RD_142311999410_000 computation Reference Data From Materials Project: {formula:NiAsO4,spaceGroup:Pnma,id:mp-635257}
RD_142488634594_000 computation Reference Data From Materials Project: {formula:Cu3As,spaceGroup:P-3c1,id:mp-8066}
RD_142570429199_000 computation Reference Data From Materials Project: {formula:SrCuAs2O7,spaceGroup:P2_1/c,id:mp-560187}
RD_142744720381_000 computation Reference Data From Materials Project: {formula:Mn2As2O7,spaceGroup:C2/m,id:mp-19290}
RD_143756001358_000 computation Reference Data From Materials Project: {formula:V4As2O13,spaceGroup:P1,id:mp-32447}
RD_143794269222_000 computation Reference Data From Materials Project: {formula:TeAs(BrF2)3,spaceGroup:P2_1/c,id:mp-557570}
RD_143865645239_000 computation Reference Data From Materials Project: {formula:Li2CuAsCO7,spaceGroup:P2_1/m,id:mp-770477}
RD_144753890934_000 computation Reference Data From Materials Project: {formula:K5As3O10,spaceGroup:P2_12_12_1,id:mp-27674}
RD_145215973743_000 computation Reference Data From Materials Project: {formula:Nb3Te3As,spaceGroup:P6_3/m,id:mp-28968}
RD_145506076142_000 computation Reference Data From Materials Project: {formula:Ge19(AsI)4,spaceGroup:P-43n,id:mp-27626}
RD_145763805867_000 computation Reference Data From Materials Project: {formula:KBa2As5,spaceGroup:Cm,id:mp-675063}
RD_145800474311_000 computation Reference Data From Materials Project: {formula:As2Se2S(NF6)2,spaceGroup:C2,id:mp-541335}
RD_147260903679_000 computation Reference Data From Materials Project: {formula:AgAsRu2,spaceGroup:F-43m,id:mp-631567}
RD_147346025232_000 computation AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2}
RD_147634104913_000 computation Reference Data From Materials Project: {formula:CdHgAsBr,spaceGroup:Pmmb,id:mp-569454}
RD_148172636375_000 computation Reference Data From Materials Project: {formula:Co2As,spaceGroup:P-6m2,id:mp-22210}
RD_148378196745_000 computation Reference Data From Materials Project: {formula:SrCuAs,spaceGroup:P6_3/mmc,id:mp-12557}
RD_150181951369_000 computation Reference Data From Materials Project: {formula:AsSe(ClF2)3,spaceGroup:P2_1/c,id:mp-554706}
RD_150269748082_000 computation Reference Data From Materials Project: {formula:YbAsPd,spaceGroup:P-62m,id:mp-8953}
RD_151216526742_000 computation Reference Data From Materials Project: {formula:K3AlAs2,spaceGroup:P-1,id:mp-541682}
RD_152161756052_000 computation Reference Data From Materials Project: {formula:Li2CuAs,spaceGroup:P6_3/mmc,id:mp-15686}
RD_152246522826_000 computation Reference Data From Materials Project: {formula:Nb3Te3As,spaceGroup:P6_3/m,id:mp-28968}
RD_152618683520_000 computation Reference Data From Materials Project: {formula:NdAsO4,spaceGroup:P2_1/c,id:mp-556843}
RD_152954845546_000 computation Reference Data From Materials Project: {formula:Na3As,spaceGroup:Fm-3m,id:mp-8860}
RD_153391085011_000 computation Reference Data From Materials Project: {formula:KAsF6,spaceGroup:R-3,id:mp-4266}
RD_153908393296_000 computation Reference Data From Materials Project: {formula:AsAuO3,spaceGroup:C2/c,id:mp-755240}
RD_153920885015_000 computation Reference Data From Materials Project: {formula:Co(AsO3)2,spaceGroup:P-31m,id:mp-19292}
RD_154227486194_000 computation Reference Data From Materials Project: {formula:Sm(AsPd)2,spaceGroup:I4/mmm,id:mp-570216}
RD_154369583928_000 computation Reference Data From Materials Project: {formula:Ca(AsO3)2,spaceGroup:P-31m,id:mp-4555}
RD_156048095502_000 computation Reference Data From Materials Project: {formula:Ge5(Te4As)2,spaceGroup:C2/m,id:mp-675637}
RD_156807201806_000 computation Reference Data From Materials Project: {formula:MnAsRh,spaceGroup:P-62m,id:mp-567856}
RD_157891001738_000 computation Reference Data From Materials Project: {formula:Zn3As2,spaceGroup:P4_2/nmc,id:mp-15700}
RD_158224402893_000 computation Reference Data From Materials Project: {formula:KNi3As3O11,spaceGroup:P2_1/c,id:mp-565287}
RD_159007877864_000 computation Reference Data From Materials Project: {formula:Hg3SbAsS3,spaceGroup:P2_1/c,id:mp-554950}
RD_159476445908_000 computation Reference Data From Materials Project: {formula:Fe2CuAs2(HO5)2,spaceGroup:P-1,id:mp-644028}
RD_160939808670_000 computation Reference Data From Materials Project: {formula:Ca2AsI,spaceGroup:R-3m,id:mp-28554}
RD_161233757153_000 computation Reference Data From Materials Project: {formula:VAsO4,spaceGroup:P2_1/c,id:mp-761296}
RD_161872703790_000 computation Reference Data From Materials Project: {formula:AsH12C4I3,spaceGroup:P4_2/m,id:mp-707477}
RD_162183052717_000 computation Reference Data From Materials Project: {formula:Te6As4C3(NF8)3,spaceGroup:C2/m,id:mp-555419}
RD_164152786693_000 computation Reference Data From Materials Project: {formula:BaNi9As5,spaceGroup:P6_3/mmc,id:mp-540991}
RD_164215565228_000 computation Reference Data From Materials Project: {formula:TmAsO4,spaceGroup:I4_1/amd,id:mp-771977}
RD_164896660375_000 computation Reference Data From Materials Project: {formula:AsS2NF10,spaceGroup:Pbca,id:mp-556406}
RD_166314699909_000 computation Reference Data From Materials Project: {formula:AsC2N(OF3)2,spaceGroup:P2_1/c,id:mp-555133}
RD_166609144737_000 computation Reference Data From Materials Project: {formula:RbAg2(AsSe2)3,spaceGroup:P2_1/c,id:mp-570593}
RD_166927161144_000 computation Reference Data From Materials Project: {formula:LiAsH20(C2O)4,spaceGroup:C2/c,id:mp-738611}
RD_166967757992_000 computation Reference Data From Materials Project: {formula:Ba(Co5As3)2,spaceGroup:Pmcn,id:mp-21918}
RD_167360932752_000 computation Reference Data From Materials Project: {formula:AsS(BrF2)3,spaceGroup:P2_1/c,id:mp-558466}
RD_167586732943_000 computation Reference Data From Materials Project: {formula:Sr(ZnAs)2,spaceGroup:P-3m1,id:mp-7770}
RD_167854045807_000 computation Reference Data From Materials Project: {formula:Na3Zn4As3H12O19,spaceGroup:R3c,id:mp-850445}
RD_168229180540_000 computation Reference Data From Materials Project: {formula:Tl3AsS3,spaceGroup:Pbca,id:mp-559356}
RD_169050733852_000 computation Reference Data From Materials Project: {formula:Be3As2(H2O5)2,spaceGroup:C2/c,id:mp-24570}
RD_170216988931_000 computation Reference Data From Materials Project: {formula:GaAsO4,spaceGroup:C2,id:mp-531272}
RD_170695179317_000 computation Reference Data From Materials Project: {formula:MgAgAs,spaceGroup:F-43m,id:mp-3477}
RD_170824132220_000 computation Reference Data From Materials Project: {formula:K3Ta2AsSe11,spaceGroup:Cc,id:mp-683905}
RD_171768876149_000 computation Reference Data From Materials Project: {formula:Li2CeAs2,spaceGroup:P-3m1,id:mp-8152}
RD_171801958443_000 computation Reference Data From Materials Project: {formula:Mg4As6Ir7,spaceGroup:Im-3m,id:mp-16544}
RD_172818758908_000 computation Reference Data From Materials Project: {formula:Na2CoAsCO7,spaceGroup:P2_1/m,id:mp-772664}
RD_173162942777_000 computation Reference Data From Materials Project: {formula:Te4As2S(OF6)2,spaceGroup:P2_1/c,id:mp-561487}
RD_173299645721_000 computation Reference Data From Materials Project: {formula:Ba3TaAs3O,spaceGroup:Pnma,id:mp-18090}
RD_173341427135_000 computation Reference Data From Materials Project: {formula:ZnSnAs2,spaceGroup:I-42d,id:mp-5190}
RD_174357489860_000 computation Reference Data From Materials Project: {formula:Cs3As,spaceGroup:P6_3cm,id:mp-542220}
RD_175394846398_000 computation Reference Data From Materials Project: {formula:Na2Sr3As4,spaceGroup:P2_1/c,id:mp-677245}
RD_175799907552_000 computation Reference Data From Materials Project: {formula:Sr(As2Rh3)2,spaceGroup:P-6m2,id:mp-16045}
RD_176279467187_000 computation Reference Data From Materials Project: {formula:Na3CuAsCO7,spaceGroup:P2_1/m,id:mp-772153}
RD_176748715388_000 computation AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2}
RD_176831859112_000 computation Reference Data From Materials Project: {formula:Cr2As,spaceGroup:P-62m,id:mp-22064}
RD_177359817897_000 computation As in AFLOW crystal prototype A_hR2_166_c (alpha-As). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_177589380078_000 computation Reference Data From Materials Project: {formula:AlAs,spaceGroup:F-43m,id:mp-2172}
RD_178005201990_000 computation Reference Data From Materials Project: {formula:Si3As4,spaceGroup:P-43m,id:mp-570744}
RD_178169851138_000 computation Reference Data From Materials Project: {formula:Ca2AsAu,spaceGroup:Fm-3m,id:mp-867113}
RD_179669657337_000 computation Reference Data From Materials Project: {formula:CsAg2AsS3,spaceGroup:P2_1/c,id:mp-866615}
RD_179721765647_000 computation Reference Data From Materials Project: {formula:K3Nd(AsS4)2,spaceGroup:C2/c,id:mp-559059}
RD_180490814654_000 computation Reference Data From Materials Project: {formula:SrCuAs,spaceGroup:P6_3/mmc,id:mp-12557}
RD_181536621241_000 computation Reference Data From Materials Project: {formula:B2AsCl2,spaceGroup:P-1,id:mp-29028}
RD_181604002252_000 computation Reference Data From Materials Project: {formula:Li11TiAs5,spaceGroup:Cm,id:mp-675818}
RD_184394081736_000 computation Reference Data From Materials Project: {formula:KMnAs,spaceGroup:P4/nmm,id:mp-21847}
RD_185009738561_000 computation Reference Data From Materials Project: {formula:NaAsSe2,spaceGroup:Pcab,id:mp-27374}
RD_185224324647_000 computation Reference Data From Materials Project: {formula:In2AsSe,spaceGroup:I2_12_12_1,id:mp-676682}
RD_185254626698_000 computation Reference Data From Materials Project: {formula:Mg6Ni16As7,spaceGroup:Fm-3m,id:mp-21587}
RD_186088586938_000 computation Reference Data From Materials Project: {formula:K2LiInAs2,spaceGroup:Ccme,id:mp-505431}
RD_186291401011_000 computation Reference Data From Materials Project: {formula:As4S3,spaceGroup:Pcmn,id:mp-557321}
RD_187292467797_000 computation Reference Data From Materials Project: {formula:Mg3(AsO4)2,spaceGroup:P2_1/c,id:mp-770734}
RD_188537579749_000 computation Reference Data From Materials Project: {formula:PuAs,spaceGroup:Pm-3m,id:mp-20773}
RD_188681247983_000 computation Reference Data From Materials Project: {formula:AsS4N5F6,spaceGroup:P2/c,id:mp-560180}
RD_188836466074_000 computation Reference Data From Materials Project: {formula:Na3FeAsCO7,spaceGroup:P2_1/m,id:mp-771494}
RD_189086177064_000 computation Reference Data From Materials Project: {formula:CsAsF4,spaceGroup:P2_1,id:mp-5707}
RD_189086342273_000 computation Reference Data From Materials Project: {formula:Sc5As3,spaceGroup:Pcmn,id:mp-505002}
RD_189879806273_000 computation Reference Data From Materials Project: {formula:NiAsRh,spaceGroup:P4/nmm,id:mp-19768}
RD_190265175116_000 computation Reference Data From Materials Project: {formula:As5Pb3S10,spaceGroup:P2_1/c,id:mp-637982}
RD_190358547389_000 computation Reference Data From Materials Project: {formula:YCuAs2,spaceGroup:P4/nmm,id:mp-10991}
RD_191060655267_000 computation Reference Data From Materials Project: {formula:V5As3,spaceGroup:I4/mcm,id:mp-7022}
RD_191647952523_000 computation Reference Data From Materials Project: {formula:CsScAsO4F,spaceGroup:Pc2_1n,id:mp-699401}
RD_191944395428_000 computation Reference Data From Materials Project: {formula:K3BAs2,spaceGroup:C2/c,id:mp-9665}
RD_191962351278_000 computation Reference Data From Materials Project: {formula:Bi7Mo2(AsO8)3,spaceGroup:Pnca,id:mp-579370}
RD_192289084904_000 computation Reference Data From Materials Project: {formula:GaReAs,spaceGroup:F-43m,id:mp-631572}
RD_192376533165_000 computation Reference Data From Materials Project: {formula:Tl2Sn(AsS3)2,spaceGroup:P-3,id:mp-6023}
RD_192446694020_000 computation Reference Data From Materials Project: {formula:Mg(BeAs)2,spaceGroup:P-3m1,id:mp-865185}
RD_192813352001_000 computation Reference Data From Materials Project: {formula:HfAsRh,spaceGroup:F-43m,id:mp-961719}
RD_193384151115_000 computation Reference Data From Materials Project: {formula:KGaAs2O7,spaceGroup:P-1,id:mp-557918}
RD_193406541549_000 computation Reference Data From Materials Project: {formula:As(BrF2)3,spaceGroup:P-1,id:mp-28159}
RD_193615174132_000 computation Reference Data From Materials Project: {formula:TaMnAs,spaceGroup:F-43m,id:mp-961654}
RD_193812038955_000 computation Reference Data From Materials Project: {formula:As12S13,spaceGroup:P1,id:mp-684626}
RD_194002540311_000 computation Reference Data From Materials Project: {formula:Ba3NbAs3O,spaceGroup:Pnma,id:mp-18177}
RD_194182176913_000 computation Reference Data From Materials Project: {formula:Ni17(AsO4)12,spaceGroup:C2,id:mp-767798}
RD_194282935031_000 computation Reference Data From Materials Project: {formula:AgAsC4S8(N2F3)2,spaceGroup:P-4,id:mp-554710}
RD_194793731551_000 computation Reference Data From Materials Project: {formula:Yb2AsAu,spaceGroup:Fm-3m,id:mp-865799}
RD_195545030192_000 computation Reference Data From Materials Project: {formula:Na2LiGaAs2,spaceGroup:Ccme,id:mp-9722}
RD_195749085516_000 computation Reference Data From Materials Project: {formula:TaAsPb2,spaceGroup:Fm-3m,id:mp-631686}
RD_195846787859_000 computation Reference Data From Materials Project: {formula:SrAsH3O5,spaceGroup:Pbca,id:mp-510709}
RD_196293641928_000 computation Reference Data From Materials Project: {formula:AsSXeNF10,spaceGroup:Pbca,id:mp-554788}
RD_196882028497_000 computation Reference Data From Materials Project: {formula:BaZn2(AsO4)2,spaceGroup:P2_1/c,id:mp-15739}
RD_198051539031_000 computation Reference Data From Materials Project: {formula:CrNiAs,spaceGroup:P-62m,id:mp-4989}
RD_200082650783_000 computation Reference Data From Materials Project: {formula:BAsPbO5,spaceGroup:P3_1,id:mp-22430}
RD_200861297928_000 computation Reference Data From Materials Project: {formula:Rb7NbAs4,spaceGroup:P2_1nm,id:mp-18440}
RD_201322862549_000 computation Reference Data From Materials Project: {formula:AgAsPbS3,spaceGroup:P2_1/c,id:mp-22665}
RD_201388992629_000 computation Reference Data From Materials Project: {formula:Fe2CuAs2(HO5)2,spaceGroup:Pbca,id:mp-764827}
RD_202135046726_000 computation Reference Data From Materials Project: {formula:Ba(NiAs)2,spaceGroup:I4/mmm,id:mp-568280}
RD_202452454470_000 computation Reference Data From Materials Project: {formula:Cd2AsCl2,spaceGroup:P2_1/c,id:mp-27776}
RD_202581355505_000 computation Reference Data From Materials Project: {formula:SnHg7(As2I3)2,spaceGroup:P2_13,id:mp-571478}
RD_203467614725_000 computation Reference Data From Materials Project: {formula:TlSb3(AsS4)2,spaceGroup:P2_1cn,id:mp-558174}
RD_203894803969_000 computation Reference Data From Materials Project: {formula:Cu3As4H18C8I3(NO2)2,spaceGroup:C2/c,id:mp-542554}
RD_203899960787_000 computation Reference Data From Materials Project: {formula:InAs,spaceGroup:Pa3,id:mp-20412}
RD_204104828830_000 computation Reference Data From Materials Project: {formula:Ca3(InAs2)2,spaceGroup:Pmnn,id:mp-650513}
RD_204638192455_000 computation Reference Data From Materials Project: {formula:Yb4As3,spaceGroup:I-43d,id:mp-1098}
RD_207150328093_000 computation Reference Data From Materials Project: {formula:AlAs,spaceGroup:P6_3mc,id:mp-8881}
RD_207309762402_000 computation Reference Data From Materials Project: {formula:Na2NbAsO6,spaceGroup:C2/c,id:mp-559968}
RD_207644766555_000 computation Reference Data From Materials Project: {formula:Co8Te(AsO8)2,spaceGroup:Ccme,id:mp-699598}
RD_207888188670_000 computation Reference Data From Materials Project: {formula:As4S5,spaceGroup:P2_1/m,id:mp-502}
RD_208434361522_000 computation Reference Data From Materials Project: {formula:Sn3As4,spaceGroup:P-43m,id:mp-570377}
RD_208505700454_000 computation Reference Data From Materials Project: {formula:CaAsAu,spaceGroup:P6_3/mmc,id:mp-3927}
RD_208524480131_000 computation Reference Data From Materials Project: {formula:Na4As2O7,spaceGroup:C2/c,id:mp-27197}
RD_209198636548_000 computation Reference Data From Materials Project: {formula:K2NaInAs2,spaceGroup:Icma,id:mp-21510}
RD_209837718550_000 computation Reference Data From Materials Project: {formula:Rb2SnAs2,spaceGroup:Imcb,id:mp-8931}
RD_210574309985_000 computation Reference Data From Materials Project: {formula:Sr3As4,spaceGroup:F2dd,id:mp-15339}
RD_213155887056_000 computation Reference Data From Materials Project: {formula:Pr(NiAs)2,spaceGroup:I4/mmm,id:mp-568993}
RD_213328936271_000 computation Reference Data From Materials Project: {formula:LiAsH2OF6,spaceGroup:Ibmm,id:mp-697263}
RD_213563060396_000 computation Reference Data From Materials Project: {formula:V4As3,spaceGroup:Cmcm,id:mp-540782}
RD_213951853296_000 computation Reference Data From Materials Project: {formula:ZrAs,spaceGroup:Fm-3m,id:mp-10054}
RD_214358111423_000 computation Reference Data From Materials Project: {formula:CaAs,spaceGroup:P-62m,id:mp-888}
RD_214868622606_000 computation Reference Data From Materials Project: {formula:Mo5As4,spaceGroup:I4/m,id:mp-569319}
RD_214932198849_000 computation Reference Data From Materials Project: {formula:Hg9Bi2(AsBr3)4,spaceGroup:P4_3,id:mp-568804}
RD_215017150786_000 computation Reference Data From Materials Project: {formula:RbMoAsO6,spaceGroup:Fddd,id:mp-25061}
RD_215389844721_000 computation Reference Data From Materials Project: {formula:TiAs2,spaceGroup:Pmnn,id:mp-672228}
RD_215499045015_000 computation Reference Data From Materials Project: {formula:HoAsO4,spaceGroup:I4_1/amd,id:mp-12944}
RD_215632305142_000 computation Reference Data From Materials Project: {formula:Cd10As6HClO25,spaceGroup:P2_1,id:mp-690912}
RD_216264457096_000 computation Reference Data From Materials Project: {formula:LaAsRh,spaceGroup:I4_1md,id:mp-10956}
RD_217324105402_000 computation Reference Data From Materials Project: {formula:AsSe6IF6,spaceGroup:P2/c,id:mp-23569}
RD_219386698051_000 computation Reference Data From Materials Project: {formula:Sr3(GeAs2)2,spaceGroup:P2_1/c,id:mp-17504}
RD_220806800433_000 computation Reference Data From Materials Project: {formula:Li2CuAsO4,spaceGroup:P2_1/c,id:mp-769254}
RD_221217230409_000 computation Reference Data From Materials Project: {formula:ThAs,spaceGroup:Fm-3m,id:mp-1753}
RD_221444683220_000 computation Reference Data From Materials Project: {formula:Na2CuAsCO7,spaceGroup:P2_1/m,id:mp-771032}
RD_221888982023_000 computation Reference Data From Materials Project: {formula:KAs4IO6,spaceGroup:P6/mmm,id:mp-23126}
RD_222168544384_000 computation Reference Data From Materials Project: {formula:Eu4As3,spaceGroup:I-43d,id:mp-20995}
RD_222213854573_000 computation Reference Data From Materials Project: {formula:Sr4As3,spaceGroup:Pmcb,id:mp-29424}
RD_222980065862_000 computation Reference Data From Materials Project: {formula:Ca2MnAs2(H2O5)2,spaceGroup:P2_1/c,id:mp-25700}
RD_223248024815_000 computation Reference Data From Materials Project: {formula:Na6Bi2B4AsO16,spaceGroup:Fd3,id:mp-780412}
RD_223412123192_000 computation Reference Data From Materials Project: {formula:Ca2BiAsO6,spaceGroup:Ccm2_1,id:mp-557070}
RD_223506957153_000 computation Reference Data From Materials Project: {formula:DyAs,spaceGroup:Fm-3m,id:mp-2627}
RD_223520779560_000 computation Reference Data From Materials Project: {formula:AsH2C2NCl2O,spaceGroup:Cmce,id:mp-690847}
RD_224235479913_000 computation Reference Data From Materials Project: {formula:LiCoAs,spaceGroup:P4/nmm,id:mp-20698}
RD_225984875303_000 computation Reference Data From Materials Project: {formula:NbAs,spaceGroup:I4_1md,id:mp-2059}
RD_225990829332_000 computation Reference Data From Materials Project: {formula:Zn3As2,spaceGroup:P4_2/nbc,id:mp-680580}
RD_227096146360_000 computation Reference Data From Materials Project: {formula:Re5(NiAs6)2,spaceGroup:Pmnn,id:mp-504815}
RD_227119925462_000 computation Reference Data From Materials Project: {formula:Tb2Ni12As7,spaceGroup:P-6,id:mp-867324}
RD_227956284987_000 computation Reference Data From Materials Project: {formula:LaAsPd,spaceGroup:P6_3/mmc,id:mp-11212}
RD_228094425710_000 computation Reference Data From Materials Project: {formula:Sn2As2H22C7(ClO2)2,spaceGroup:P1,id:mp-684698}
RD_229016213569_000 computation Reference Data From Materials Project: {formula:K3As7,spaceGroup:Pcab,id:mp-680329}
RD_230288886810_000 computation Reference Data From Materials Project: {formula:HoCuAs2,spaceGroup:P4/nmm,id:mp-21364}
RD_230904885379_000 computation Reference Data From Materials Project: {formula:UHg4(AsCl3)2,spaceGroup:Pbca,id:mp-570252}
RD_233062385007_000 computation Reference Data From Materials Project: {formula:AsH8CN3O4,spaceGroup:P2_1/c,id:mp-23666}
RD_233132641860_000 computation Reference Data From Materials Project: {formula:CsCu3As8H24C8(IO2)4,spaceGroup:P-1,id:mp-605196}
RD_233307152170_000 computation Reference Data From Materials Project: {formula:TiCoAs,spaceGroup:F-43m,id:mp-961700}
RD_233748704924_000 computation Reference Data From Materials Project: {formula:K2GaAs2,spaceGroup:P2_1/c,id:mp-15415}
RD_233861928059_000 computation Reference Data From Materials Project: {formula:SrV2(AsO5)2,spaceGroup:P2_12_12_1,id:mp-19513}
RD_234166770502_000 computation Reference Data From Materials Project: {formula:AsH6NO4,spaceGroup:P2_12_12_1,id:mp-707339}
RD_235743025864_000 computation Reference Data From Materials Project: {formula:AsPbClO2,spaceGroup:P2_12_12_1,id:mp-560394}
RD_235875259085_000 computation Reference Data From Materials Project: {formula:CuAs2S4(O2F3)4,spaceGroup:P2_1/c,id:mp-556926}
RD_236006106605_000 computation Reference Data From Materials Project: {formula:As2O5,spaceGroup:P4_12_12,id:mp-555434}
RD_238770553365_000 computation Reference Data From Materials Project: {formula:Te4As2S(OF6)2,spaceGroup:Pnma,id:mp-557791}
RD_238924918244_000 computation Reference Data From Materials Project: {formula:Na6Cu2As(CO4)4,spaceGroup:Fd3,id:mp-770478}
RD_239117243280_000 computation Reference Data From Materials Project: {formula:Co2As,spaceGroup:P-62m,id:mp-18206}
RD_239303311834_000 computation Reference Data From Materials Project: {formula:Cu12As4S13,spaceGroup:I-43m,id:mp-504753}
RD_239553141075_000 computation Reference Data From Materials Project: {formula:Cs2CeAsS3Cl2,spaceGroup:Pmcn,id:mp-572902}
RD_239721087711_000 computation Reference Data From Materials Project: {formula:NaSrAs,spaceGroup:P-62m,id:mp-9775}
RD_239736699922_000 computation Reference Data From Materials Project: {formula:NaCa2Mg2(AsO4)3,spaceGroup:I4_1/acd,id:mp-677573}
RD_240202809334_000 computation Reference Data From Materials Project: {formula:Co2AsClO4,spaceGroup:P2_1/m,id:mp-559418}
RD_240481832316_000 computation Reference Data From Materials Project: {formula:Sm(NiAs)2,spaceGroup:I4/mmm,id:mp-567818}
RD_240522134985_000 computation Reference Data From Materials Project: {formula:Na2FeAsCO7,spaceGroup:P2_1/m,id:mp-773610}
RD_241928947348_000 computation Reference Data From Materials Project: {formula:UAs2,spaceGroup:P4/nmm,id:mp-1657}
RD_242372600449_000 computation Reference Data From Materials Project: {formula:Cd3As2,spaceGroup:Pn-3m,id:mp-10762}
RD_242508026588_000 computation Reference Data From Materials Project: {formula:K6NbAs3O,spaceGroup:P2_13,id:mp-561202}
RD_242560581896_000 computation Reference Data From Materials Project: {formula:Nb2AsC,spaceGroup:P6_3/mmc,id:mp-9989}
RD_242745099385_000 computation Reference Data From Materials Project: {formula:Nd5As4(ClO4)3,spaceGroup:P2/c,id:mp-556908}
RD_243062856101_000 computation Reference Data From Materials Project: {formula:AsSeS3N5F6,spaceGroup:Pc,id:mp-556154}
RD_243333972675_000 computation Reference Data From Materials Project: {formula:SbAsPd5,spaceGroup:Fd-3m,id:mp-541021}
RD_244062238780_000 computation Reference Data From Materials Project: {formula:Li3MnAs2,spaceGroup:P4_2/nmc,id:mp-676703}
RD_244459293500_000 computation Reference Data From Materials Project: {formula:EuNi5As3,spaceGroup:Cmcm,id:mp-16838}
RD_244608023949_000 computation Reference Data From Materials Project: {formula:LiFeAs2O7,spaceGroup:C2,id:mp-18878}
RD_245539486994_000 computation Reference Data From Materials Project: {formula:Na6Ni2As(CO4)4,spaceGroup:Fd3,id:mp-781671}
RD_246250847980_000 computation Reference Data From Materials Project: {formula:V2AsC,spaceGroup:P6_3/mmc,id:mp-10046}
RD_246272450211_000 computation Reference Data From Materials Project: {formula:NdAsPd,spaceGroup:P6_3mc,id:mp-8950}
RD_246585876447_000 computation Reference Data From Materials Project: {formula:As3Pb2ClO6,spaceGroup:Pmcn,id:mp-561268}
RD_246654980302_000 computation Reference Data From Materials Project: {formula:Cs3GaAs2,spaceGroup:P2_1/c,id:mp-541678}
RD_246908327266_000 computation Reference Data From Materials Project: {formula:K2Cr2AsHO10,spaceGroup:P3_1,id:mp-744181}
RD_247329432352_000 computation Reference Data From Materials Project: {formula:ZnAgAs,spaceGroup:F-43m,id:mp-34611}
RD_248181910806_000 computation Reference Data From Materials Project: {formula:NiAs,spaceGroup:P6_3/mmc,id:mp-2347}
RD_248455250386_000 computation Reference Data From Materials Project: {formula:NdAs2,spaceGroup:P2_1/c,id:mp-13961}
RD_248548389701_000 computation Reference Data From Materials Project: {formula:NaFeAs,spaceGroup:P4/nmm,id:mp-22152}
RD_249868389225_000 computation Reference Data From Materials Project: {formula:Li17(MnAs2)4,spaceGroup:P1,id:mp-673685}
RD_250842591741_000 computation Reference Data From Materials Project: {formula:Zr6CoAs2,spaceGroup:P-62m,id:mp-29135}
RD_251236965166_000 computation Reference Data From Materials Project: {formula:NdAgAs2,spaceGroup:Pmcn,id:mp-864793}
RD_251719932036_000 computation Reference Data From Materials Project: {formula:FeAsO4,spaceGroup:P2_1/c,id:mp-24949}
RD_251745396668_000 computation Reference Data From Materials Project: {formula:Ag3AsS3,spaceGroup:R3c,id:mp-555843}
RD_251890847404_000 computation Reference Data From Materials Project: {formula:U2Cu4As5,spaceGroup:I4/mmm,id:mp-28687}
RD_252069019340_000 computation Reference Data From Materials Project: {formula:GdAs,spaceGroup:Fm-3m,id:mp-510374}
RD_252217931725_000 computation Reference Data From Materials Project: {formula:Cu4Ag(AsO4)3,spaceGroup:C2/c,id:mp-14455}
RD_252235033792_000 computation Reference Data From Materials Project: {formula:Rb3As7,spaceGroup:Pcab,id:mp-680413}
RD_252670091792_000 computation Reference Data From Materials Project: {formula:NaMgAs,spaceGroup:P4/nmm,id:mp-5962}
RD_254128872007_000 computation Reference Data From Materials Project: {formula:NaCaAs,spaceGroup:F-43m,id:mp-961685}
RD_255577361023_000 computation Reference Data From Materials Project: {formula:As4Pb8Cl6O11,spaceGroup:P2_1/c,id:mp-653995}
RD_255925400354_000 computation Reference Data From Materials Project: {formula:Cu3AsS3,spaceGroup:I-43m,id:mp-504884}
RD_256053749980_000 computation Reference Data From Materials Project: {formula:CaCuAs,spaceGroup:P6_3/mmc,id:mp-4120}
RD_256322336130_000 computation Reference Data From Materials Project: {formula:Hg19(As5Br9)2,spaceGroup:P-1,id:mp-504876}
RD_256612336070_000 computation Reference Data From Materials Project: {formula:BaCuAs2O7,spaceGroup:P2_1/c,id:mp-6571}
RD_256830246107_000 computation Reference Data From Materials Project: {formula:As2PbO4,spaceGroup:P2_1/c,id:mp-28537}
RD_258083928595_000 computation Reference Data From Materials Project: {formula:Na6Mn2As(CO4)4,spaceGroup:Fd3,id:mp-853201}
RD_258434979241_000 computation Reference Data From Materials Project: {formula:U3As4,spaceGroup:I-43d,id:mp-606}
RD_259302512344_000 computation Reference Data From Materials Project: {formula:Na4TiAs2O9,spaceGroup:C2/m,id:mp-559519}
RD_259441514454_000 computation Reference Data From Materials Project: {formula:Cs2AgAsS4,spaceGroup:P-1,id:mp-561622}
RD_259802969158_000 computation Reference Data From Materials Project: {formula:LiZnAs,spaceGroup:F-43m,id:mp-9124}
RD_260833236109_000 computation Reference Data From Materials Project: {formula:KCo2As2HO8,spaceGroup:P2/c,id:mp-746371}
RD_261010955062_000 computation Reference Data From Materials Project: {formula:Ge3As4,spaceGroup:P-43m,id:mp-569600}
RD_261055010117_000 computation Reference Data From Materials Project: {formula:Na3As,spaceGroup:P6_3cm,id:mp-655}
RD_262563250720_000 computation Reference Data From Materials Project: {formula:Sr2MnZn2(AsO)2,spaceGroup:I4/mmm,id:mp-863942}
RD_263142936216_000 computation Reference Data From Materials Project: {formula:AsCF3,spaceGroup:P4_2/nmc,id:mp-27274}
RD_263623087789_000 computation Reference Data From Materials Project: {formula:Sr(AsRu)2,spaceGroup:I4/mmm,id:mp-4404}
RD_264609123851_000 computation Reference Data From Materials Project: {formula:AsCSCl2F9,spaceGroup:P2_1/c,id:mp-561244}
RD_264632486731_000 computation Reference Data From Materials Project: {formula:Cu2As2O7,spaceGroup:C2/m,id:mp-13128}
RD_265010492050_000 computation Reference Data From Materials Project: {formula:SbAsO5,spaceGroup:P2_12_12_1,id:mp-14368}
RD_265245838506_000 computation Reference Data From Materials Project: {formula:SrMoAsH3O8,spaceGroup:C2/c,id:mp-735578}
RD_265974192397_000 computation Reference Data From Materials Project: {formula:AsH18N3O7,spaceGroup:P2_1/c,id:mp-720294}
RD_266125232544_000 computation Reference Data From Materials Project: {formula:Na3AsH18Se4O9,spaceGroup:P2_13,id:mp-23961}
RD_266257651085_000 computation Reference Data From Materials Project: {formula:ZnAs,spaceGroup:Pbca,id:mp-7372}
RD_266772271527_000 computation Reference Data From Materials Project: {formula:La4As3,spaceGroup:I-43d,id:mp-568959}
RD_266882054660_000 computation Reference Data From Materials Project: {formula:Mn6Ni16As7,spaceGroup:Fm-3m,id:mp-21628}
RD_267388553520_000 computation Reference Data From Materials Project: {formula:Na3Ca3AlAs4,spaceGroup:P6_3mc,id:mp-15572}
RD_267653418990_000 computation Reference Data From Materials Project: {formula:AsCl2F3,spaceGroup:P4/n,id:mp-23444}
RD_269055008113_000 computation Reference Data From Materials Project: {formula:TiAs,spaceGroup:P6_3/mmc,id:mp-1822}
RD_269477868419_000 computation Reference Data From Materials Project: {formula:Ba4TiAs4,spaceGroup:P-43n,id:mp-15503}
RD_269487106628_000 computation Reference Data From Materials Project: {formula:Gd3As5O12,spaceGroup:I-43m,id:mp-768273}
RD_270034680041_000 computation Reference Data From Materials Project: {formula:FeAs2,spaceGroup:Pmnn,id:mp-2008}
RD_270120831379_000 computation As in AFLOW crystal prototype A_hR2_166_c (alpha-As). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_270312096239_000 computation Reference Data From Materials Project: {formula:U2Ni12As7,spaceGroup:P-6,id:mp-865508}
RD_270866182535_000 computation Reference Data From Materials Project: {formula:LiNbAs2,spaceGroup:Cm,id:mp-676566}
RD_270968334515_000 computation Reference Data From Materials Project: {formula:Na6Fe2As(CO4)4,spaceGroup:Fd3,id:mp-772200}
RD_271092150678_000 computation Reference Data From Materials Project: {formula:Ag3AsSe3,spaceGroup:Pnma,id:mp-662599}
RD_271917478696_000 computation Reference Data From Materials Project: {formula:Cu3As4,spaceGroup:Immm,id:mp-633403}
RD_273146656417_000 computation Reference Data From Materials Project: {formula:SmAsO4,spaceGroup:P2_1/c,id:mp-754876}
RD_273295129296_000 computation Reference Data From Materials Project: {formula:BiAsO4,spaceGroup:I4_1/a,id:mp-561068}
RD_273822307328_000 computation Reference Data From Materials Project: {formula:Ca4As7Ir8,spaceGroup:P2_1/m,id:mp-31234}
RD_273869341561_000 computation Reference Data From Materials Project: {formula:NaAs4BrO6,spaceGroup:Pmcn,id:mp-559786}
RD_275154187939_000 computation Reference Data From Materials Project: {formula:Mg3(AsO4)2,spaceGroup:P2_1/c,id:mp-770446}
RD_275618217668_000 computation Reference Data From Materials Project: {formula:InAs,spaceGroup:Pa3,id:mp-20412}
RD_276114842167_000 computation Reference Data From Materials Project: {formula:CaFe4As3,spaceGroup:Pmcn,id:mp-22640}
RD_276668461794_000 computation Reference Data From Materials Project: {formula:Rb2Ag(AsSe2)3,spaceGroup:P2_1/c,id:mp-541916}
RD_277255842373_000 computation Reference Data From Materials Project: {formula:RbInAs2O7,spaceGroup:P-1,id:mp-558208}
RD_278011731139_000 computation Reference Data From Materials Project: {formula:NaAsH4O5,spaceGroup:P2_1/m,id:mp-696175}
RD_278023867835_000 computation Reference Data From Materials Project: {formula:Yb(ZnAs)2,spaceGroup:P-3m1,id:mp-10314}
RD_278379664843_000 computation Reference Data From Materials Project: {formula:CoAs4F18,spaceGroup:P2_1/c,id:mp-554833}
RD_278434313960_000 computation Reference Data From Materials Project: {formula:NaBeAs,spaceGroup:P6_3/mmc,id:mp-9573}
RD_278463273482_000 computation Reference Data From Materials Project: {formula:Cu3AsS4,spaceGroup:P2_1nm,id:mp-3345}
RD_279260457356_000 computation Reference Data From Materials Project: {formula:UAs2H6O11,spaceGroup:C2/c,id:mp-768283}
RD_279409420795_000 computation Reference Data From Materials Project: {formula:Te3As2S(OF6)2,spaceGroup:P-1,id:mp-560703}
RD_279680699070_000 computation Reference Data From Materials Project: {formula:LiCaAs,spaceGroup:F-43m,id:mp-961684}
RD_279718298052_000 computation Reference Data From Materials Project: {formula:Nd(CoAs)2,spaceGroup:I4/mmm,id:mp-571382}
RD_280539358536_000 computation Reference Data From Materials Project: {formula:Cu3(AsO4)2,spaceGroup:P-1,id:mp-21209}
RD_281006892213_000 computation Reference Data From Materials Project: {formula:Te3As2,spaceGroup:C2/m,id:mp-484}
RD_281510098094_000 computation Reference Data From Materials Project: {formula:SiAs2,spaceGroup:Pa3,id:mp-21268}
RD_283467798681_000 computation Reference Data From Materials Project: {formula:Na2SnAsCO7,spaceGroup:P2_1/m,id:mp-772495}
RD_283682216029_000 computation Reference Data From Materials Project: {formula:As2(SO4)3,spaceGroup:P2_1/c,id:mp-28005}
RD_284194511100_000 computation Reference Data From Materials Project: {formula:Sb3As2S14(IF8)3,spaceGroup:P-1,id:mp-554195}
RD_284357639363_000 computation Reference Data From Materials Project: {formula:Li3FeAsCO7,spaceGroup:P2_1/m,id:mp-771542}
RD_284426843394_000 computation Reference Data From Materials Project: {formula:LiUAsO6,spaceGroup:P-1,id:mp-558717}
RD_284469879485_000 computation Reference Data From Materials Project: {formula:BiAs2Os,spaceGroup:F-43m,id:mp-631577}
RD_284892655034_000 computation Reference Data From Materials Project: {formula:CdSnAs2,spaceGroup:Cm,id:mp-676728}
RD_285078190133_000 computation Reference Data From Materials Project: {formula:Li5SiAs3,spaceGroup:C2/c,id:mp-38407}
RD_285525791731_000 computation Reference Data From Materials Project: {formula:UAs,spaceGroup:Fm-3m,id:mp-2104}
RD_286306639930_000 computation Reference Data From Materials Project: {formula:MgAsH15O11,spaceGroup:C2/c,id:mp-720817}
RD_286340757293_000 computation Reference Data From Materials Project: {formula:Co5As2,spaceGroup:P6_3cm,id:mp-16316}
RD_287148214577_000 computation Reference Data From Materials Project: {formula:TeAs(SeF3)2,spaceGroup:Pc2_1n,id:mp-651161}
RD_288550220752_000 computation Reference Data From Materials Project: {formula:Li5TiAs3,spaceGroup:C2/c,id:mp-677039}
RD_288588976497_000 computation Reference Data From Materials Project: {formula:MnVAs,spaceGroup:P4/nmm,id:mp-20791}
RD_288638054722_000 computation Reference Data From Materials Project: {formula:Ba2As,spaceGroup:I4/mmm,id:mp-2768}
RD_288647593652_000 computation Reference Data From Materials Project: {formula:Ca(ZnAs)2,spaceGroup:P-3m1,id:mp-9571}
RD_288910090949_000 computation Reference Data From Materials Project: {formula:Na3AsH24SeO15,spaceGroup:P2_12_12_1,id:mp-707391}
RD_289882316894_000 computation Reference Data From Materials Project: {formula:Eu(InAs)2,spaceGroup:P6_3/mmc,id:mp-608777}
RD_290732247963_000 computation Reference Data From Materials Project: {formula:BaV4As4O19,spaceGroup:Pmcn,id:mp-579757}
RD_291274082902_000 computation Reference Data From Materials Project: {formula:YAs,spaceGroup:Fm-3m,id:mp-933}
RD_291332665814_000 computation Reference Data From Materials Project: {formula:BaAs2Pd,spaceGroup:Cmcm,id:mp-9767}
RD_292104155080_000 computation Reference Data From Materials Project: {formula:InAs,spaceGroup:Fm-3m,id:mp-21391}
RD_292347259191_000 computation Reference Data From Materials Project: {formula:Li2BiAsCO7,spaceGroup:P2_1/m,id:mp-772155}
RD_292379581798_000 computation Reference Data From Materials Project: {formula:Mg3(AsO4)2,spaceGroup:P1,id:mp-675309}
RD_293119037634_000 computation Reference Data From Materials Project: {formula:SnHg7(As2I3)2,spaceGroup:P2_13,id:mp-571478}
RD_293807550587_000 computation Reference Data From Materials Project: {formula:NdAsO4,spaceGroup:I4_1/amd,id:mp-755357}
RD_294996166183_000 computation Reference Data From Materials Project: {formula:Hg3AsO4,spaceGroup:P2_1/c,id:mp-4445}
RD_295609288023_000 computation Reference Data From Materials Project: {formula:Ba5As3,spaceGroup:P6_3/mcm,id:mp-10045}
RD_295847306837_000 computation Reference Data From Materials Project: {formula:RbNbAsClO5,spaceGroup:P4/nmm,id:mp-556645}
RD_296663674589_000 computation Reference Data From Materials Project: {formula:K2Te2As,spaceGroup:Pmcn,id:mp-29380}
RD_297219307329_000 computation Reference Data From Materials Project: {formula:Zn2As2O7,spaceGroup:Pbcm,id:mp-779594}
RD_297555166406_000 computation Reference Data From Materials Project: {formula:AsPd2,spaceGroup:Ccm2_1,id:mp-8073}
RD_298253957588_000 computation Reference Data From Materials Project: {formula:As3Rh,spaceGroup:Im3,id:mp-8182}
RD_298763155109_000 computation Reference Data From Materials Project: {formula:As2Pb2O5,spaceGroup:P2_1/c,id:mp-505465}
RD_298863479368_000 computation Reference Data From Materials Project: {formula:Na3AsH22S2O13,spaceGroup:Pnma,id:mp-720287}
RD_299127178258_000 computation As in AFLOW crystal prototype A_oC8_64_f (Black Phosphorus). 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_299199360088_000 computation Reference Data From Materials Project: {formula:Ga3Te3As,spaceGroup:Pm2_1n,id:mp-675954}
RD_299233820562_000 computation Reference Data From Materials Project: {formula:SiAs2,spaceGroup:Pa3,id:mp-21268}
RD_299381216407_000 computation Reference Data From Materials Project: {formula:Hg9(AsO4)4,spaceGroup:R3c,id:mp-541164}
RD_299695053338_000 computation Reference Data From Materials Project: {formula:LuAs,spaceGroup:Fm-3m,id:mp-2017}
RD_300427976224_000 computation AsGa in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2}
RD_300487686703_000 computation Reference Data From Materials Project: {formula:Na6Co2As(CO4)4,spaceGroup:Fd3,id:mp-771495}
RD_300783101795_000 computation Reference Data From Materials Project: {formula:Na3AsS3,spaceGroup:P2_13,id:mp-5830}
RD_300997911605_000 computation Reference Data From Materials Project: {formula:Mg3As2,spaceGroup:P-3m1,id:mp-7891}
RD_302486926489_000 computation Reference Data From Materials Project: {formula:K2Mo3(AsO5)4,spaceGroup:C2/c,id:mp-565247}
RD_302838761105_000 computation Reference Data From Materials Project: {formula:Ca2AsClO4,spaceGroup:Pbcm,id:mp-560595}
RD_303304288046_000 computation Reference Data From Materials Project: {formula:K5Li3Ti8(AsO5)8,spaceGroup:P1,id:mp-766047}
RD_303400413672_000 computation Reference Data From Materials Project: {formula:AsSXe2(OF3)3,spaceGroup:P2_1/c,id:mp-560077}
RD_303602284758_000 computation Reference Data From Materials Project: {formula:Ba3BAsO3,spaceGroup:P6_3/mmc,id:mp-9793}
RD_303717654601_000 computation Reference Data From Materials Project: {formula:U2Ni12As7,spaceGroup:P-6,id:mp-865508}
RD_303850874451_000 computation Reference Data From Materials Project: {formula:LiCaAs,spaceGroup:F-43m,id:mp-961684}
RD_303978507777_000 computation Reference Data From Materials Project: {formula:AsRh2,spaceGroup:Fm-3m,id:mp-2302}
RD_304159629842_000 computation Reference Data From Materials Project: {formula:AgAs(S8F3)2,spaceGroup:C2/c,id:mp-556837}
RD_304753277162_000 computation Reference Data From Materials Project: {formula:NaFeAsCO7,spaceGroup:P2_1,id:mp-773210}
RD_305692647764_000 computation Reference Data From Materials Project: {formula:K2Sm2As2Se9,spaceGroup:Pmnb,id:mp-571473}
RD_305806310008_000 computation Reference Data From Materials Project: {formula:Na3AsSe3,spaceGroup:P2_13,id:mp-8686}
RD_306267326636_000 computation Reference Data From Materials Project: {formula:Li7MnAs4,spaceGroup:C2/c,id:mp-675473}
RD_306620122919_000 computation Reference Data From Materials Project: {formula:Rb5SiAs3,spaceGroup:Pmnb,id:mp-17490}
RD_306658230082_000 computation Reference Data From Materials Project: {formula:Tl3AsS3,spaceGroup:R3m,id:mp-9791}
RD_306769638492_000 computation Reference Data From Materials Project: {formula:MgAs2(XeF8)2,spaceGroup:Pmcb,id:mp-556078}
RD_306844836328_000 computation Reference Data From Materials Project: {formula:Cu3As,spaceGroup:I-43d,id:mp-1966}
RD_308042648922_000 computation Reference Data From Materials Project: {formula:CuAs4(H5O8)2,spaceGroup:P-1,id:mp-541087}
RD_308583997852_000 computation Reference Data From Materials Project: {formula:Cd3As2,spaceGroup:I4_1/acd,id:mp-570634}
RD_309785824669_000 computation Reference Data From Materials Project: {formula:SmAsS,spaceGroup:Pmcn,id:mp-557569}
RD_310221586508_000 computation Reference Data From Materials Project: {formula:Li23(MnAs)20,spaceGroup:P4mm,id:mp-531949}
RD_311137460869_000 computation Reference Data From Materials Project: {formula:GeTe7As4,spaceGroup:P-3m1,id:mp-8645}
RD_311295802116_000 computation Reference Data From Materials Project: {formula:USbAs,spaceGroup:P4/nmm,id:mp-20803}
RD_311353380603_000 computation Reference Data From Materials Project: {formula:LiScAs2O7,spaceGroup:C2,id:mp-552663}
RD_311556607834_000 computation Reference Data From Materials Project: {formula:Hg4As2Br3,spaceGroup:Pa3,id:mp-29078}
RD_311785811720_000 computation Reference Data From Materials Project: {formula:V3As,spaceGroup:Pm-3n,id:mp-292}
RD_311817947722_000 computation Reference Data From Materials Project: {formula:NaZnAs,spaceGroup:P4/nmm,id:mp-13097}
RD_312170204562_000 computation Reference Data From Materials Project: {formula:Na2AlB(As2O7)2,spaceGroup:P2_1/c,id:mp-556195}
RD_312614904887_000 computation Reference Data From Materials Project: {formula:Ba(MgAs)2,spaceGroup:P-3m1,id:mp-8280}
RD_312658017210_000 computation Reference Data From Materials Project: {formula:Rb3As,spaceGroup:P6_3/mmc,id:mp-7898}
RD_313806630737_000 computation Reference Data From Materials Project: {formula:Mn3As,spaceGroup:Ccmm,id:mp-2668}
RD_314167110362_000 computation Reference Data From Materials Project: {formula:Te2AsS4N4(ClF2)3,spaceGroup:P1,id:mp-695699}
RD_314307407504_000 computation Reference Data From Materials Project: {formula:Y4AsSe3,spaceGroup:I4/mmm,id:mp-38494}
RD_314671745026_000 computation Reference Data From Materials Project: {formula:CdSnAs2,spaceGroup:I-42d,id:mp-3829}
RD_314757426736_000 computation Reference Data From Materials Project: {formula:As,spaceGroup:Ccme,id:mp-158}
RD_314759942600_000 computation Reference Data From Materials Project: {formula:TiAs,spaceGroup:P6_3/mmc,id:mp-10052}
RD_315322958923_000 computation Reference Data From Materials Project: {formula:Hg4As2Br3,spaceGroup:Pa3,id:mp-29078}
RD_315693343432_000 computation Reference Data From Materials Project: {formula:Ca(AsRu)2,spaceGroup:I4/mmm,id:mp-5610}
RD_316086430967_000 computation Reference Data From Materials Project: {formula:TiAs2O7,spaceGroup:P2_1/c,id:mp-17196}
RD_316317543598_000 computation Reference Data From Materials Project: {formula:SrZn2(AsO4)2,spaceGroup:P2_1/c,id:mp-15740}
RD_317912814226_000 computation Reference Data From Materials Project: {formula:CuAsSe,spaceGroup:Pcan,id:mp-574367}
RD_318464414236_000 computation Reference Data From Materials Project: {formula:LiZnAs,spaceGroup:F-43m,id:mp-9124}
RD_318822721592_000 computation Reference Data From Materials Project: {formula:MnNiAs,spaceGroup:F-43m,id:mp-510613}
RD_318957826229_000 computation Reference Data From Materials Project: {formula:Eu(AsRu)2,spaceGroup:I4/mmm,id:mp-4050}
RD_319541060015_000 computation Reference Data From Materials Project: {formula:As2P2S7,spaceGroup:P2_1/c,id:mp-540883}
RD_320054787638_000 computation Reference Data From Materials Project: {formula:Te4As2S5(OF6)2,spaceGroup:P2_1/c,id:mp-651154}
RD_320253968852_000 computation Reference Data From Materials Project: {formula:AsS3(ClF2)3,spaceGroup:P-1,id:mp-23112}
RD_320277765151_000 computation Reference Data From Materials Project: {formula:Ca3AsCl3,spaceGroup:Pm-3m,id:mp-28069}
RD_320719881872_000 computation Reference Data From Materials Project: {formula:K2LiTi2(AsO5)2,spaceGroup:Pna2_1,id:mp-772826}
RD_321200556010_000 computation Reference Data From Materials Project: {formula:LiAsH6(OF2)3,spaceGroup:P6_3mc,id:mp-556562}
RD_321895697450_000 computation Reference Data From Materials Project: {formula:Co3(AsO4)2,spaceGroup:P2_1/c,id:mp-636571}
RD_321941819736_000 computation Reference Data From Materials Project: {formula:K2Fe2As2O9,spaceGroup:Pmnb,id:mp-619092}
RD_322440369732_000 computation AsGa in AFLOW crystal prototype AB_oI4_44_a_b (High-pressure GaAs). 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': 2}
RD_322634028131_000 computation Reference Data From Materials Project: {formula:Ba2Cu7(AsO4)6,spaceGroup:P-1,id:mp-560007}
RD_322730467208_000 computation Reference Data From Materials Project: {formula:Ba2As6O11,spaceGroup:P-1,id:mp-757280}
RD_324387058182_000 computation Reference Data From Materials Project: {formula:AsHPb4(ClO)4,spaceGroup:P2_1/c,id:mp-707734}
RD_324454986882_000 computation Reference Data From Materials Project: {formula:Ti3As,spaceGroup:Pm-3n,id:mp-12071}
RD_325269142777_000 computation Reference Data From Materials Project: {formula:CaCuAs,spaceGroup:P6_3/mmc,id:mp-4120}
RD_325487741727_000 computation Reference Data From Materials Project: {formula:AsC4S4N4Cl2O2F5,spaceGroup:P2_1/c,id:mp-555067}
RD_325709051309_000 computation As in AFLOW crystal prototype A_hR2_166_c (alpha-As). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_326200677864_000 computation Reference Data From Materials Project: {formula:Ca(AsO3)2,spaceGroup:P-31m,id:mp-4555}
RD_326925430451_000 computation Reference Data From Materials Project: {formula:TlHg3As2Cl3,spaceGroup:Pcmb,id:mp-628647}
RD_327344961524_000 computation Reference Data From Materials Project: {formula:NaBeAs,spaceGroup:P6_3/mmc,id:mp-9573}
RD_328747762120_000 computation Reference Data From Materials Project: {formula:AsKrF7,spaceGroup:P2_1/c,id:mp-30010}
RD_329702131084_000 computation Reference Data From Materials Project: {formula:MnAs,spaceGroup:Pmnb,id:mp-22240}
RD_330068499220_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_330070999351_000 computation Reference Data From Materials Project: {formula:LiAsH6(OF2)3,spaceGroup:P6_3mc,id:mp-556562}
RD_330123777192_000 computation Reference Data From Materials Project: {formula:Na2MnBAsO7,spaceGroup:P2_1/m,id:mp-771501}
RD_330417872286_000 computation Reference Data From Materials Project: {formula:As,spaceGroup:Pm-3m,id:mp-10}
RD_330633563496_000 computation Reference Data From Materials Project: {formula:HfAs2,spaceGroup:Pmnb,id:mp-29646}
RD_330865140855_000 computation Reference Data From Materials Project: {formula:Sr5As3O12F,spaceGroup:P6_3/m,id:mp-17777}
RD_333428629518_000 computation Reference Data From Materials Project: {formula:K2UAs2O9,spaceGroup:Pnmm,id:mp-558707}
RD_333937730905_000 computation Reference Data From Materials Project: {formula:Li3CrBAsO7,spaceGroup:P2_1/m,id:mp-772733}
RD_334508690079_000 computation Reference Data From Materials Project: {formula:AsCl3,spaceGroup:P2_12_12_1,id:mp-23280}
RD_335081726612_000 computation Reference Data From Materials Project: {formula:NaBeAs,spaceGroup:P6_3/mmc,id:mp-9573}
RD_335786470995_000 computation Reference Data From Materials Project: {formula:Ce(NiAs)2,spaceGroup:P4/nmm,id:mp-610645}
RD_336002062598_000 computation Reference Data From Materials Project: {formula:La(NiAs)2,spaceGroup:P4/nmm,id:mp-20044}
RD_337015926558_000 computation Reference Data From Materials Project: {formula:Ca3AlAs3,spaceGroup:Pmnb,id:mp-17186}
RD_337838297389_000 computation Reference Data From Materials Project: {formula:Nd2As6Xe5F46,spaceGroup:C2/m,id:mp-559792}
RD_338080262339_000 computation Reference Data From Materials Project: {formula:U2CuAs2(HO)24,spaceGroup:P4/nnc,id:mp-698483}
RD_338946741469_000 computation Reference Data From Materials Project: {formula:InAs,spaceGroup:F-43m,id:mp-20305}
RD_339305902196_000 computation Reference Data From Materials Project: {formula:SnHg6(As2Br3)2,spaceGroup:P2_13,id:mp-567185}
RD_339372105587_000 computation Reference Data From Materials Project: {formula:Sr4TiAs4,spaceGroup:P-43n,id:mp-15501}
RD_339618602998_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_339835165054_000 computation Reference Data From Materials Project: {formula:K3AsSe3,spaceGroup:P2_13,id:mp-18594}
RD_340251470762_000 computation Reference Data From Materials Project: {formula:ZrAsPd,spaceGroup:Pmnm,id:mp-669436}
RD_340397799263_000 computation Reference Data From Materials Project: {formula:TlInAs2O7,spaceGroup:P-1,id:mp-557583}
RD_341011332537_000 computation Reference Data From Materials Project: {formula:RbAsO2,spaceGroup:Pmca,id:mp-30299}
RD_341034692069_000 computation Reference Data From Materials Project: {formula:Rb3As,spaceGroup:P6_3/mmc,id:mp-7898}
RD_341062257735_000 computation Reference Data From Materials Project: {formula:CeAgAs2,spaceGroup:Pmca,id:mp-672195}
RD_341458066123_000 computation Reference Data From Materials Project: {formula:Cs2SnAs2Se9,spaceGroup:P2_1,id:mp-568403}
RD_341851946439_000 computation Reference Data From Materials Project: {formula:CdHg4(AsI2)2,spaceGroup:P2_1,id:mp-570838}
RD_342215807394_000 computation Reference Data From Materials Project: {formula:NiAs2,spaceGroup:Pmnn,id:mp-19814}
RD_343031993305_000 computation Reference Data From Materials Project: {formula:Na6Ni2As(CO4)4,spaceGroup:Fd3,id:mp-781671}
RD_343114935009_000 computation Reference Data From Materials Project: {formula:AsS3(NF3)2,spaceGroup:P-1,id:mp-554289}
RD_343366456117_000 computation Reference Data From Materials Project: {formula:KAs4IO6,spaceGroup:P6/mmm,id:mp-23126}
RD_343502555386_000 computation Reference Data From Materials Project: {formula:Na6V2B4AsO16,spaceGroup:Fd3,id:mp-850371}
RD_343550062518_000 computation Reference Data From Materials Project: {formula:Cs2As2Pd,spaceGroup:Cmcm,id:mp-8857}
RD_344104297020_000 computation Reference Data From Materials Project: {formula:TiHg6As4Cl7,spaceGroup:Pa3,id:mp-570995}
RD_344241360620_000 computation Reference Data From Materials Project: {formula:Ce4As3,spaceGroup:I-43d,id:mp-21011}
RD_345015685574_000 computation Reference Data From Materials Project: {formula:LiMgAs,spaceGroup:F-43m,id:mp-12558}
RD_345333798277_000 computation Reference Data From Materials Project: {formula:BaVAsO6,spaceGroup:P2_1/c,id:mp-541545}
RD_346051723836_000 computation Reference Data From Materials Project: {formula:SrAsPd,spaceGroup:P6_3/mmc,id:mp-9743}
RD_346102352447_000 computation Reference Data From Materials Project: {formula:SbAs3(Se2F3)2,spaceGroup:P2_1/m,id:mp-557606}
RD_347071115696_000 computation Reference Data From Materials Project: {formula:TmCuAs2,spaceGroup:P4/nmm,id:mp-10994}
RD_347132607158_000 computation As in AFLOW crystal prototype A_cP1_221_a (alpha-Po). 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_348357950344_000 computation Reference Data From Materials Project: {formula:Hg3AsS4Cl,spaceGroup:P6_3mc,id:mp-559355}
RD_348946558400_000 computation Reference Data From Materials Project: {formula:NaZnAs,spaceGroup:F-43m,id:mp-34240}
RD_349736824990_000 computation Reference Data From Materials Project: {formula:As3(HO2)5,spaceGroup:P-1,id:mp-27404}
RD_351694769288_000 computation AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2}
RD_351828944773_000 computation Reference Data From Materials Project: {formula:Fe2As,spaceGroup:P4/nmm,id:mp-20426}
RD_352112141767_000 computation AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2}
RD_352196288273_000 computation Reference Data From Materials Project: {formula:Te2As2SI6(OF6)2,spaceGroup:P1,id:mp-706456}
RD_352801699144_000 computation Reference Data From Materials Project: {formula:BaAs2,spaceGroup:Pc,id:mp-31243}
RD_353132546762_000 computation Reference Data From Materials Project: {formula:PrAs,spaceGroup:Fm-3m,id:mp-10622}
RD_353418093791_000 computation Reference Data From Materials Project: {formula:Tl2Sn(AsS3)2,spaceGroup:P-3,id:mp-6023}
RD_353660489244_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_353900135919_000 computation Reference Data From Materials Project: {formula:K6NbTlAs4,spaceGroup:Pcmn,id:mp-567820}
RD_354536310692_000 computation Reference Data From Materials Project: {formula:MgAs2S2(OF3)4,spaceGroup:P2_1/c,id:mp-555121}
RD_355671153488_000 computation Reference Data From Materials Project: {formula:ScAsO4,spaceGroup:I4_1/amd,id:mp-546125}
RD_356542013229_000 computation Reference Data From Materials Project: {formula:AsSe2S(NF3)2,spaceGroup:P2_1/c,id:mp-560986}
RD_356582502604_000 computation Reference Data From Materials Project: {formula:Ca(CdAs)2,spaceGroup:P-3m1,id:mp-7067}
RD_356800567532_000 computation Reference Data From Materials Project: {formula:Na5Bi2As(CO4)4,spaceGroup:P1,id:mp-776561}
RD_357393729599_000 computation Reference Data From Materials Project: {formula:Na2Te2As,spaceGroup:P2_12_12_1,id:mp-29381}
RD_357587050655_000 computation Reference Data From Materials Project: {formula:NiAsS,spaceGroup:P2_13,id:mp-3830}
RD_359160636080_000 computation Reference Data From Materials Project: {formula:Co2As2O7,spaceGroup:C2/m,id:mp-505067}
RD_359363108413_000 computation Reference Data From Materials Project: {formula:Na6Cu2As(CO4)4,spaceGroup:Fd3,id:mp-770478}
RD_360084849943_000 computation Reference Data From Materials Project: {formula:InHg6As4Cl7,spaceGroup:Pa3,id:mp-571341}
RD_360858232609_000 computation Reference Data From Materials Project: {formula:Ba3(AsO4)2,spaceGroup:R-3m,id:mp-9783}
RD_361079902347_000 computation Reference Data From Materials Project: {formula:LiMnAsCO7,spaceGroup:P2_1,id:mp-770905}
RD_361146980918_000 computation Reference Data From Materials Project: {formula:ZrAsRu,spaceGroup:P-62m,id:mp-8221}
RD_361792676634_000 computation Reference Data From Materials Project: {formula:Eu(MnAs)2,spaceGroup:P-3m1,id:mp-20128}
RD_361861877266_000 computation Reference Data From Materials Project: {formula:Sr(AsPt)2,spaceGroup:P2_1/c,id:mp-571534}
RD_361935614223_000 computation Reference Data From Materials Project: {formula:Hg3AsS4Cl,spaceGroup:P6_3mc,id:mp-559355}
RD_362851015678_000 computation Reference Data From Materials Project: {formula:CaAsH3O5,spaceGroup:Pcnb,id:mp-721328}
RD_363138155391_000 computation Reference Data From Materials Project: {formula:Yb4As3,spaceGroup:I-43d,id:mp-1098}
RD_363229450693_000 computation Reference Data From Materials Project: {formula:Cu(AsO2)2,spaceGroup:P4_2/mbc,id:mp-22271}
RD_363313820035_000 computation Reference Data From Materials Project: {formula:CsBeAsO4,spaceGroup:P2_1cn,id:mp-9113}
RD_363711075852_000 computation Reference Data From Materials Project: {formula:Li19(Mn3As4)3,spaceGroup:Pmm2,id:mp-675504}
RD_363930217638_000 computation Reference Data From Materials Project: {formula:NaSrAs,spaceGroup:P-62m,id:mp-9775}
RD_364152838652_000 computation Reference Data From Materials Project: {formula:Cs3As11,spaceGroup:C2/c,id:mp-573812}
RD_364316403518_000 computation Reference Data From Materials Project: {formula:Hg4AsI5,spaceGroup:Ccme,id:mp-567798}
RD_365215641051_000 computation Reference Data From Materials Project: {formula:Sr(SnAs)2,spaceGroup:R-3m,id:mp-9379}
RD_365269823083_000 computation Reference Data From Materials Project: {formula:Mn5As4,spaceGroup:Cmc2_1,id:mp-28832}
RD_365473646843_000 computation Reference Data From Materials Project: {formula:Ta5As4,spaceGroup:I4/m,id:mp-8312}
RD_365670285284_000 computation Reference Data From Materials Project: {formula:UCuAs2,spaceGroup:P4/nmm,id:mp-19902}
RD_367622179475_000 computation Reference Data From Materials Project: {formula:K3Sm(AsS4)2,spaceGroup:C2/c,id:mp-560964}
RD_367699303266_000 computation Reference Data From Materials Project: {formula:La(NiAs)2,spaceGroup:I4/mmm,id:mp-5982}
RD_367747396926_000 computation Reference Data From Materials Project: {formula:BaAsPt,spaceGroup:P2_13,id:mp-8458}
RD_367847210891_000 computation Reference Data From Materials Project: {formula:BTe2As,spaceGroup:Fm-3m,id:mp-631524}
RD_369832567900_000 computation Reference Data From Materials Project: {formula:Ba(AsPd)2,spaceGroup:I4/mmm,id:mp-6962}
RD_370600183646_000 computation Reference Data From Materials Project: {formula:Cd2GeAs4,spaceGroup:Pnma,id:mp-5712}
RD_371058092500_000 computation Reference Data From Materials Project: {formula:Ni18Bi3AsS16,spaceGroup:I4/mmm,id:mp-556357}
RD_371898676884_000 computation Reference Data From Materials Project: {formula:Ti3As,spaceGroup:Pm-3n,id:mp-12071}
RD_372049458369_000 computation Reference Data From Materials Project: {formula:BeSbAs2,spaceGroup:Fm-3m,id:mp-631578}
RD_373200882323_000 computation Reference Data From Materials Project: {formula:Sn4As3,spaceGroup:R-3m,id:mp-12531}
RD_373253380150_000 computation Reference Data From Materials Project: {formula:Cu2As4S3Cl2,spaceGroup:P2_1/m,id:mp-560845}
RD_373408076244_000 computation Reference Data From Materials Project: {formula:K3Bi5(AsO4)6,spaceGroup:C2/c,id:mp-567022}
RD_373671657007_000 computation Reference Data From Materials Project: {formula:Tm2NiAs2,spaceGroup:P6_3mc,id:mp-568266}
RD_373688251954_000 computation Reference Data From Materials Project: {formula:InFeAs,spaceGroup:F-43m,id:mp-631472}
RD_374093540926_000 computation Reference Data From Materials Project: {formula:Mn3As(HO2)4,spaceGroup:Pnma,id:mp-868269}
RD_374464909212_000 computation Reference Data From Materials Project: {formula:KAs4BrO6,spaceGroup:P6/mmm,id:mp-23083}
RD_374610456576_000 computation Reference Data From Materials Project: {formula:CrAsO4,spaceGroup:Pcmn,id:mp-19077}
RD_374935830878_000 computation Reference Data From Materials Project: {formula:Tl3AsSe3,spaceGroup:R3m,id:mp-7684}
RD_374971310629_000 computation Reference Data From Materials Project: {formula:Cu2As2O7,spaceGroup:C2/c,id:mp-554298}
RD_375386253465_000 computation Reference Data From Materials Project: {formula:TeAsF5,spaceGroup:C2/c,id:mp-27379}
RD_376208752596_000 computation Reference Data From Materials Project: {formula:Ba(FeAs)2,spaceGroup:I4/mmm,id:mp-568961}
RD_378216081517_000 computation Reference Data From Materials Project: {formula:As3W2,spaceGroup:C2/m,id:mp-11696}
RD_378628406639_000 computation Reference Data From Materials Project: {formula:ZnCuAs,spaceGroup:Pc2_1n,id:mp-676828}
RD_378737629426_000 computation Reference Data From Materials Project: {formula:KAs,spaceGroup:P2_12_12_1,id:mp-713}
RD_379072778365_000 computation Reference Data From Materials Project: {formula:AsSClOF8,spaceGroup:P2_1/c,id:mp-41092}
RD_379322847295_000 computation Reference Data From Materials Project: {formula:Ba(MgAs)2,spaceGroup:P-3m1,id:mp-8280}
RD_379566071385_000 computation Reference Data From Materials Project: {formula:YbAs,spaceGroup:Fm-3m,id:mp-600}
RD_380156883127_000 computation Reference Data From Materials Project: {formula:PaAs2,spaceGroup:P4/nmm,id:mp-11106}
RD_380320065717_000 computation Reference Data From Materials Project: {formula:Hg6BiAs4Cl7,spaceGroup:Pa3,id:mp-570652}
RD_381401111669_000 computation Reference Data From Materials Project: {formula:Na8TiAs4,spaceGroup:Fd-3m,id:mp-9071}
RD_381794780921_000 computation Reference Data From Materials Project: {formula:AsS4N4F5,spaceGroup:P2_1/c,id:mp-558254}
RD_381833484575_000 computation Reference Data From Materials Project: {formula:CaAsH5O6,spaceGroup:Cc,id:mp-24120}
RD_382682134845_000 computation Reference Data From Materials Project: {formula:CuAs4S3Cl,spaceGroup:Pmca,id:mp-558199}
RD_383451340855_000 computation Reference Data From Materials Project: {formula:AsHPbO4,spaceGroup:P2/c,id:mp-504751}
RD_384773068849_000 computation Reference Data From Materials Project: {formula:Li2CuAs,spaceGroup:P6_3/mmc,id:mp-15686}
RD_384801100885_000 computation Reference Data From Materials Project: {formula:B6As,spaceGroup:R-3m,id:mp-624}
RD_385196959857_000 computation Reference Data From Materials Project: {formula:Na3Fe2(AsO4)3,spaceGroup:Ia-3d,id:mp-566314}
RD_385426476224_000 computation Reference Data From Materials Project: {formula:GaReAs,spaceGroup:F-43m,id:mp-631572}
RD_385801199788_000 computation Reference Data From Materials Project: {formula:Li3NiAsCO7,spaceGroup:P2_1/m,id:mp-771419}
RD_386002364572_000 computation Reference Data From Materials Project: {formula:LaAs2,spaceGroup:Cc,id:mp-29815}
RD_386059549568_000 computation Reference Data From Materials Project: {formula:Ce8Fe8As8O7F,spaceGroup:I-4m2,id:mp-705511}
RD_386883578173_000 computation Reference Data From Materials Project: {formula:KNa4GeAs3,spaceGroup:Pmcn,id:mp-16921}
RD_387981820192_000 computation Reference Data From Materials Project: {formula:NiAs,spaceGroup:P6_3/mmc,id:mp-2346}
RD_388256481072_000 computation Reference Data From Materials Project: {formula:As3Pb5ClO9,spaceGroup:P6_3/m,id:mp-510724}
RD_388998661911_000 computation Reference Data From Materials Project: {formula:BaZnAs2O7,spaceGroup:P2_1/c,id:mp-554083}
RD_389106726424_000 computation Reference Data From Materials Project: {formula:AgAsO3,spaceGroup:Pc2_1b,id:mp-558950}
RD_389776364395_000 computation Reference Data From Materials Project: {formula:SmFeAsO,spaceGroup:P4/nmm,id:mp-24944}
RD_390203233755_000 computation Reference Data From Materials Project: {formula:MnFeAs,spaceGroup:P-62m,id:mp-4238}
RD_390293720665_000 computation Reference Data From Materials Project: {formula:EuAgAs,spaceGroup:P6_3/mmc,id:mp-21330}
RD_391490318823_000 computation Reference Data From Materials Project: {formula:AsN(OF3)2,spaceGroup:C2/m,id:mp-611316}
RD_391668664094_000 computation Reference Data From Materials Project: {formula:K2Ga2As3,spaceGroup:P2_1/c,id:mp-15432}
RD_391887759615_000 computation Reference Data From Materials Project: {formula:Nd5Fe5As5O4F,spaceGroup:P-1,id:mp-698941}
RD_392076806058_000 computation Reference Data From Materials Project: {formula:Ga2AsRh5,spaceGroup:Pmcb,id:mp-18561}
RD_392094820694_000 computation Reference Data From Materials Project: {formula:Co8As3O16,spaceGroup:C2/m,id:mp-699375}
RD_392217330791_000 computation Reference Data From Materials Project: {formula:GaAs,spaceGroup:F-43m,id:mp-2534}
RD_392372493361_000 computation Reference Data From Materials Project: {formula:HgAsO3,spaceGroup:P-31m,id:mp-30284}
RD_392533546722_000 computation Reference Data From Materials Project: {formula:NaMnAs,spaceGroup:P4/nmm,id:mp-20612}
RD_392565983836_000 computation Reference Data From Materials Project: {formula:InAs,spaceGroup:Fm-3m,id:mp-21391}
RD_392653938928_000 computation Reference Data From Materials Project: {formula:Na3As7,spaceGroup:P2_1/c,id:mp-30233}
RD_393162386706_000 computation Reference Data From Materials Project: {formula:Cd3(AsO4)2,spaceGroup:P2_1/c,id:mp-13602}
RD_393219056198_000 computation Reference Data From Materials Project: {formula:Na2Ca(AsO3)4,spaceGroup:P4/nbm,id:mp-560545}
RD_393580047187_000 computation Reference Data From Materials Project: {formula:Pr(AsPd)2,spaceGroup:I4/mmm,id:mp-570183}
RD_394182028298_000 computation Reference Data From Materials Project: {formula:Rb3BAs2,spaceGroup:C2/c,id:mp-9718}
RD_394257597970_000 computation Reference Data From Materials Project: {formula:SiAs,spaceGroup:C2/m,id:mp-1863}
RD_394699812416_000 computation Reference Data From Materials Project: {formula:Na5SiAs3,spaceGroup:P2_1/c,id:mp-18139}
RD_395690254195_000 computation Reference Data From Materials Project: {formula:Cs2SiAs2,spaceGroup:Imcb,id:mp-573721}
RD_396749838197_000 computation Reference Data From Materials Project: {formula:TaMnAs,spaceGroup:F-43m,id:mp-961654}
RD_396858480455_000 computation Reference Data From Materials Project: {formula:BaCuAs,spaceGroup:P6_3/mmc,id:mp-9898}
RD_396937801291_000 computation Reference Data From Materials Project: {formula:Na3CrBAsO7,spaceGroup:P2_1/m,id:mp-772378}
RD_397039874653_000 computation Reference Data From Materials Project: {formula:K4Mn(AsS4)2,spaceGroup:P2/c,id:mp-560965}
RD_397507091139_000 computation Reference Data From Materials Project: {formula:Ba(AsRu)2,spaceGroup:I4/mmm,id:mp-4109}
RD_398042257344_000 computation Reference Data From Materials Project: {formula:Ge19(AsI)4,spaceGroup:P-43n,id:mp-27626}
RD_398063189136_000 computation Reference Data From Materials Project: {formula:Ca(MnAs)2,spaceGroup:P-3m1,id:mp-5498}
RD_398492040235_000 computation Reference Data From Materials Project: {formula:RbMn6As7O24,spaceGroup:P2_1/m,id:mp-566704}
RD_399267639055_000 computation Reference Data From Materials Project: {formula:EuAsAu,spaceGroup:P6_3/mmc,id:mp-19729}
RD_399300548048_000 computation Reference Data From Materials Project: {formula:AsS,spaceGroup:P1,id:mp-705472}
RD_399566904684_000 computation Reference Data From Materials Project: {formula:KSnAsS5,spaceGroup:Pmcb,id:mp-554119}
RD_400776923825_000 computation Reference Data From Materials Project: {formula:Ca(ZnAs)2,spaceGroup:P-3m1,id:mp-9571}
RD_400840188341_000 computation Reference Data From Materials Project: {formula:U2AsN2,spaceGroup:P-3m1,id:mp-3583}