Reference Data - 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.

Choose from the tab above to sort the models in different ways.


Ba
Reference Data Data Method Description
RD_738875766258_000 computation Reference Data From Materials Project: {formula:Ba2PdO3,spaceGroup:Immm,id:mp-29352}
RD_739237693067_000 computation Reference Data From Materials Project: {formula:Ba2HgS3,spaceGroup:Pmnb,id:mp-18008}
RD_739574061321_000 computation Reference Data From Materials Project: {formula:BaZnPb,spaceGroup:P6_3/mmc,id:mp-510311}
RD_739954736758_000 computation Reference Data From Materials Project: {formula:Ba(InS2)2,spaceGroup:Fddd,id:mp-21943}
RD_740589098355_000 computation Reference Data From Materials Project: {formula:Ba2Ca(BO3)2,spaceGroup:C2/m,id:mp-549737}
RD_740764506283_000 computation Reference Data From Materials Project: {formula:Ba(ZnP)2,spaceGroup:I4/mmm,id:mp-7426}
RD_740914534372_000 computation Reference Data From Materials Project: {formula:BaSiP4(HO7)2,spaceGroup:P-1,id:mp-722278}
RD_741460666185_000 computation Reference Data From Materials Project: {formula:BaSrI4,spaceGroup:Pbcn,id:mp-752402}
RD_741757549479_000 computation Reference Data From Materials Project: {formula:BaTa2O6,spaceGroup:P1,id:mp-676339}
RD_742068262701_000 computation Reference Data From Materials Project: {formula:BaBiBO4,spaceGroup:Pmnb,id:mp-559186}
RD_742154243698_000 computation Reference Data From Materials Project: {formula:Ba3In(BO2)9,spaceGroup:P6_3/m,id:mp-556038}
RD_742204742159_000 computation Reference Data From Materials Project: {formula:Ba(H8O5)2,spaceGroup:C2/c,id:mp-626268}
RD_742305015315_000 computation Reference Data From Materials Project: {formula:Ba3(YI6)2,spaceGroup:P2_1/c,id:mp-776463}
RD_742305434323_000 computation Reference Data From Materials Project: {formula:KBa2(PO3)5,spaceGroup:Pc,id:mp-560320}
RD_742531137302_000 computation Reference Data From Materials Project: {formula:Ba8Cu8O19,spaceGroup:P1,id:mp-766404}
RD_742718179526_000 computation Reference Data From Materials Project: {formula:Ba2ZnO3,spaceGroup:C2/c,id:mp-17911}
RD_742914069082_000 computation Reference Data From Materials Project: {formula:BaIn2,spaceGroup:Imma,id:mp-22141}
RD_743234662608_000 computation Reference Data From Materials Project: {formula:Ba3BiN,spaceGroup:P6_3/mmc,id:mp-567666}
RD_743679381635_000 computation Reference Data From Materials Project: {formula:BaZr(PO4)2,spaceGroup:P-3m1,id:mp-560620}
RD_743890777726_000 computation Reference Data From Materials Project: {formula:BaPuO3,spaceGroup:Pm-3m,id:mp-7143}
RD_744244262323_000 computation Reference Data From Materials Project: {formula:Ba2La3Ti2Cr3O15,spaceGroup:Cmmm,id:mp-705476}
RD_744923035823_000 computation Reference Data From Materials Project: {formula:Ba3FeS5,spaceGroup:Pcmn,id:mp-630328}
RD_744941408312_000 computation Reference Data From Materials Project: {formula:BaAgP,spaceGroup:P6_3/mmc,id:mp-9899}
RD_745163616570_000 computation Reference Data From Materials Project: {formula:Ba3ZnIr2O9,spaceGroup:P6_3/mmc,id:mp-542939}
RD_745338440684_000 computation Reference Data From Materials Project: {formula:BaCaGaF7,spaceGroup:P2/c,id:mp-8416}
RD_745581758198_000 computation Reference Data From Materials Project: {formula:Ba2Mn2Bi2O,spaceGroup:P6_3/mmc,id:mp-566276}
RD_745963389814_000 computation Reference Data From Materials Project: {formula:Ba3SrTa2O9,spaceGroup:P6_3/mmc,id:mp-540795}
RD_746099887778_000 computation Reference Data From Materials Project: {formula:BaYI5,spaceGroup:P2_1,id:mp-768786}
RD_746387532030_000 computation Reference Data From Materials Project: {formula:Ba(AlS2)2,spaceGroup:Pa3,id:mp-14246}
RD_746540034161_000 computation Reference Data From Materials Project: {formula:Ba3(BrO)2,spaceGroup:Pnma,id:mp-771161}
RD_746634750059_000 computation Reference Data From Materials Project: {formula:Ba3Nb6(Si2O13)2,spaceGroup:P-62m,id:mp-6101}
RD_746819796382_000 computation Reference Data From Materials Project: {formula:Ba6Na2As2Ru2O17,spaceGroup:P6_3/mmc,id:mp-554687}
RD_747064165191_000 computation Reference Data From Materials Project: {formula:Ba2HoReO6,spaceGroup:Fm-3m,id:mp-13933}
RD_747277274986_000 computation Reference Data From Materials Project: {formula:BaCr(Si2O5)2,spaceGroup:P4/ncc,id:mp-19518}
RD_747340543961_000 computation Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:P2_1/c,id:mp-756202}
RD_747631055990_000 computation Reference Data From Materials Project: {formula:Ba(CuP2)2,spaceGroup:Fddd,id:mp-568474}
RD_747720681357_000 computation Reference Data From Materials Project: {formula:BaMnO3,spaceGroup:P6_3/mmc,id:mp-35078}
RD_748194349371_000 computation Reference Data From Materials Project: {formula:Ba5(RuO5)2,spaceGroup:P6_3/mmc,id:mp-28908}
RD_748365289588_000 computation Reference Data From Materials Project: {formula:Ba2CdPb,spaceGroup:Fm-3m,id:mp-867333}
RD_748525282978_000 computation Reference Data From Materials Project: {formula:BaYFe2O5,spaceGroup:Pmcm,id:mp-542205}
RD_748952588957_000 computation Reference Data From Materials Project: {formula:Ba10Ga,spaceGroup:Fd-3m,id:mp-30430}
RD_748976429037_000 computation Reference Data From Materials Project: {formula:YbBa2NbO6,spaceGroup:Fm-3m,id:mp-19751}
RD_749100087589_000 computation Reference Data From Materials Project: {formula:Ba,spaceGroup:Im-3m,id:mp-122}
RD_749183690042_000 computation Reference Data From Materials Project: {formula:BaGe4O9,spaceGroup:P321,id:mp-3848}
RD_750245299818_000 computation Reference Data From Materials Project: {formula:BaDy2CuO5,spaceGroup:Pmcn,id:mp-22550}
RD_750400547103_000 computation Reference Data From Materials Project: {formula:Ba2Pr(CuO2)4,spaceGroup:Cmmm,id:mp-6779}
RD_750673605718_000 computation Reference Data From Materials Project: {formula:Ba3ScCO3F7,spaceGroup:Ccmm,id:mp-560519}
RD_750729569399_000 computation Reference Data From Materials Project: {formula:BaCa(FeO2)4,spaceGroup:P-31m,id:mp-18950}
RD_750744961687_000 computation Reference Data From Materials Project: {formula:Ba2AlInO5,spaceGroup:P6_3/mmc,id:mp-556282}
RD_751423723929_000 computation Reference Data From Materials Project: {formula:BaNd2MnS5,spaceGroup:I4/mcm,id:mp-16456}
RD_751629081828_000 computation Reference Data From Materials Project: {formula:Ba4Li(SbO4)3,spaceGroup:Im-3m,id:mp-7971}
RD_751766118457_000 computation Reference Data From Materials Project: {formula:Ba5V3ClO12,spaceGroup:P6_3/m,id:mp-25789}
RD_753157431573_000 computation Reference Data From Materials Project: {formula:BaZn3P4(H7O9)2,spaceGroup:C2/c,id:mp-723480}
RD_753326654479_000 computation Reference Data From Materials Project: {formula:Ba2TiS4,spaceGroup:Pmnb,id:mp-17908}
RD_753403090437_000 computation Reference Data From Materials Project: {formula:Ba5Re3BrO15,spaceGroup:P6_3cm,id:mp-556721}
RD_753438172977_000 computation Reference Data From Materials Project: {formula:Ba(H8O5)2,spaceGroup:P1,id:mp-626297}
RD_753675886005_000 computation Reference Data From Materials Project: {formula:Ba4Fe4O11,spaceGroup:P1,id:mp-761692}
RD_753919828920_000 computation Reference Data From Materials Project: {formula:K2Ba(NO2)4,spaceGroup:C2/m,id:mp-560282}
RD_754044682493_000 computation Reference Data From Materials Project: {formula:Ba2Sn,spaceGroup:Pmnb,id:mp-1981}
RD_754311518255_000 computation Reference Data From Materials Project: {formula:Ba3(SnAs2)2,spaceGroup:P2_1/c,id:mp-17470}
RD_754360823522_000 computation Reference Data From Materials Project: {formula:YbBaCo4O7,spaceGroup:P31c,id:mp-25738}
RD_755130074857_000 computation Reference Data From Materials Project: {formula:Ba5Li2(WO5)3,spaceGroup:P6_3mc,id:mp-566745}
RD_755221840067_000 computation Reference Data From Materials Project: {formula:Ba2NdMoO6,spaceGroup:Fm-3m,id:mp-18904}
RD_755363013478_000 computation Reference Data From Materials Project: {formula:BaSn3,spaceGroup:P6_3/mmc,id:mp-7759}
RD_755479255401_000 computation Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:P2_1/c,id:mp-768735}
RD_755523815527_000 computation Reference Data From Materials Project: {formula:BaNd2PtO5,spaceGroup:P4/mbm,id:mp-556525}
RD_756124857707_000 computation Reference Data From Materials Project: {formula:BaNb3NO7,spaceGroup:Cm,id:mp-776461}
RD_756815405623_000 computation Reference Data From Materials Project: {formula:BaNaBi,spaceGroup:P-62m,id:mp-31235}
RD_757176718720_000 computation Reference Data From Materials Project: {formula:BaAlSi,spaceGroup:P-6m2,id:mp-13149}
RD_757325484659_000 computation Reference Data From Materials Project: {formula:BaLi2P2O7,spaceGroup:C2/c,id:mp-6175}
RD_757353825457_000 computation Reference Data From Materials Project: {formula:BaLaMn2O6,spaceGroup:P4/mmm,id:mp-19245}
RD_757598966862_000 computation Reference Data From Materials Project: {formula:Ba4IrO6,spaceGroup:R-3c,id:mp-754684}
RD_757779229435_000 computation Reference Data From Materials Project: {formula:Ba4Fe3(S3F2)2,spaceGroup:Pbnm,id:mp-566756}
RD_758283386785_000 computation Reference Data From Materials Project: {formula:Ba4Gd2Cd3S10,spaceGroup:Cmc2_1,id:mp-554975}
RD_758597964455_000 computation Reference Data From Materials Project: {formula:Ba3BPO3,spaceGroup:P6_3/mmc,id:mp-9712}
RD_758914720170_000 computation Reference Data From Materials Project: {formula:Ba4W(N2Cl)2,spaceGroup:P2_1/m,id:mp-570453}
RD_759258190413_000 computation Reference Data From Materials Project: {formula:Ba4GeP4,spaceGroup:P-43n,id:mp-14215}
RD_759878152207_000 computation Reference Data From Materials Project: {formula:Ba2NaReO6,spaceGroup:Fm-3m,id:mp-6798}
RD_760035998233_000 computation Reference Data From Materials Project: {formula:Ba3NaRu2O9,spaceGroup:Pmcm,id:mp-555258}
RD_760174339008_000 computation Reference Data From Materials Project: {formula:Ba2BiSbO6,spaceGroup:P-1,id:mp-643903}
RD_760243839981_000 computation Reference Data From Materials Project: {formula:Ba2IrO4,spaceGroup:I4/mmm,id:mp-755117}
RD_760549204436_000 computation Reference Data From Materials Project: {formula:BaH6F8,spaceGroup:P-62c,id:mp-557810}
RD_760635253633_000 computation Reference Data From Materials Project: {formula:Ba3Nb5O15,spaceGroup:P4/mbm,id:mp-8846}
RD_760649478667_000 computation Reference Data From Materials Project: {formula:Ba3WCl2O5,spaceGroup:Cmcm,id:mp-567457}
RD_760924121864_000 computation Reference Data From Materials Project: {formula:BaZr4(PO4)6,spaceGroup:R-3,id:mp-560308}
RD_761231331070_000 computation Reference Data From Materials Project: {formula:Ba(NdSe2)2,spaceGroup:I-42d,id:mp-36007}
RD_761270599133_000 computation Reference Data From Materials Project: {formula:Ba2La2O5,spaceGroup:Pcmn,id:mp-768263}
RD_761862014969_000 computation Reference Data From Materials Project: {formula:Ba3Si6N4O9,spaceGroup:P3,id:mp-554885}
RD_762231077960_000 computation Reference Data From Materials Project: {formula:BaZn2H16O11,spaceGroup:P2_1/c,id:mp-707945}
RD_762523414680_000 computation Reference Data From Materials Project: {formula:Ba8CaY2U4O24,spaceGroup:Cmmm,id:mp-667498}
RD_762526216694_000 computation Reference Data From Materials Project: {formula:BaHg11,spaceGroup:Pm-3m,id:mp-1600}
RD_762601076043_000 computation Reference Data From Materials Project: {formula:BaRh2,spaceGroup:Fd-3m,id:mp-568430}
RD_763062023778_000 computation Reference Data From Materials Project: {formula:BaH2N2O5,spaceGroup:P6_5,id:mp-541657}
RD_763139861725_000 computation Reference Data From Materials Project: {formula:Ba3Na2Ti3Nb2O15,spaceGroup:Cmmm,id:mp-40873}
RD_763673539624_000 computation Reference Data From Materials Project: {formula:BaYSc,spaceGroup:F-43m,id:mp-631495}
RD_763801000979_000 computation Reference Data From Materials Project: {formula:BaSrLaBiO6,spaceGroup:F-43m,id:mp-40802}
RD_763953078734_000 computation Reference Data From Materials Project: {formula:BaBPO5,spaceGroup:P3_121,id:mp-15840}
RD_763972366013_000 computation Reference Data From Materials Project: {formula:Yb3K2Ba6Bi5O24,spaceGroup:Cmmm,id:mp-684786}
RD_764331449698_000 computation Reference Data From Materials Project: {formula:BaTi8O16,spaceGroup:P1,id:mp-752852}
RD_764450368700_000 computation Reference Data From Materials Project: {formula:BaNa2,spaceGroup:P6_3/mmc,id:mp-11820}
RD_765046184158_000 computation Reference Data From Materials Project: {formula:Ba14MnSb11,spaceGroup:Iba2,id:mp-532211}
RD_765260132336_000 computation Reference Data From Materials Project: {formula:Ba17Ho16Zn8Pt4O57,spaceGroup:I4/m,id:mp-555188}
RD_765385441926_000 computation Reference Data From Materials Project: {formula:Ba2UNiO6,spaceGroup:Fm-3m,id:mp-19093}
RD_765493849264_000 computation Reference Data From Materials Project: {formula:EuBa2SbO6,spaceGroup:Fm-3m,id:mp-21370}
RD_765660123592_000 computation Reference Data From Materials Project: {formula:Ba2As2Se5,spaceGroup:P2_1,id:mp-28348}
RD_765689387219_000 computation Reference Data From Materials Project: {formula:Ba9(AuO6)2,spaceGroup:Pnam,id:mp-28788}
RD_765774921153_000 computation Reference Data From Materials Project: {formula:Ba2(InAs)5,spaceGroup:Pmnb,id:mp-644875}
RD_765830603608_000 computation Reference Data From Materials Project: {formula:Ba3BPO3,spaceGroup:P6_3/mmc,id:mp-9712}
RD_766326228645_000 computation Reference Data From Materials Project: {formula:Ba2Ge(TeSe)2,spaceGroup:P2_1/m,id:mp-570803}
RD_766422319028_000 computation Reference Data From Materials Project: {formula:BaSe3,spaceGroup:P-42_1m,id:mp-7548}
RD_766532921256_000 computation Reference Data From Materials Project: {formula:Ba2LuRuO6,spaceGroup:Fm-3m,id:mp-6145}
RD_767042694713_000 computation Reference Data From Materials Project: {formula:Ba2H6Pt,spaceGroup:Ccme,id:mp-643253}
RD_767103104147_000 computation Reference Data From Materials Project: {formula:BaCaP2(HO4)2,spaceGroup:P2_1/c,id:mp-733968}
RD_767636903912_000 computation Reference Data From Materials Project: {formula:Ba5Mn3ClO12,spaceGroup:P6_3/m,id:mp-650764}
RD_767650835680_000 computation Reference Data From Materials Project: {formula:Ba4TiAs4,spaceGroup:P-43n,id:mp-15503}
RD_767696896751_000 computation Reference Data From Materials Project: {formula:Ba3Nb2CoO9,spaceGroup:P-3m1,id:mp-600864}
RD_768327931898_000 computation Reference Data From Materials Project: {formula:Ba2MgWO6,spaceGroup:Fm-3m,id:mp-18986}
RD_768429153081_000 computation Reference Data From Materials Project: {formula:Ba2Nd2Ti2Cu2O11,spaceGroup:P4/mmm,id:mp-557043}
RD_768589079794_000 computation Reference Data From Materials Project: {formula:Ba6SrI14,spaceGroup:Cmce,id:mp-768732}
RD_768939105170_000 computation Reference Data From Materials Project: {formula:Ba6Ti7Nb9O42,spaceGroup:Cm,id:mp-773061}
RD_768981328062_000 computation Reference Data From Materials Project: {formula:Ba3Zr2S7,spaceGroup:I4/mmm,id:mp-9179}
RD_768985779799_000 computation Reference Data From Materials Project: {formula:Ba2H6Os,spaceGroup:Fm-3m,id:mp-697044}
RD_769102431326_000 computation Reference Data From Materials Project: {formula:Ba4Pr(RuO4)3,spaceGroup:C2/m,id:mp-642358}
RD_769254935062_000 computation Reference Data From Materials Project: {formula:BaNd2ZnO5,spaceGroup:I4/mcm,id:mp-6468}
RD_769581824793_000 computation Reference Data From Materials Project: {formula:Ba2CaIrO6,spaceGroup:Fm-3m,id:mp-20841}
RD_769606537407_000 computation Reference Data From Materials Project: {formula:Ba2BiSbO6,spaceGroup:Fm-3m,id:mp-545603}
RD_769790851117_000 computation Reference Data From Materials Project: {formula:Ba3Fe2Br2O5,spaceGroup:I2_13,id:mp-565905}
RD_770001064878_000 computation Reference Data From Materials Project: {formula:BaPt2S3,spaceGroup:P4_12_12,id:mp-558588}
RD_771474764698_000 computation Reference Data From Materials Project: {formula:Ba3ErRu2O9,spaceGroup:P6_3/mmc,id:mp-541721}
RD_771506481604_000 computation Reference Data From Materials Project: {formula:Ba14Na8CaN6,spaceGroup:P6_3/m,id:mp-777942}
RD_771526210662_000 computation Reference Data From Materials Project: {formula:TbBaO3,spaceGroup:I4/mcm,id:mp-2939}
RD_771937877772_000 computation Reference Data From Materials Project: {formula:Ba3NiIr2O9,spaceGroup:P6_3/mmc,id:mp-556189}
RD_772624612140_000 computation Reference Data From Materials Project: {formula:Ba2SnHg,spaceGroup:Fm-3m,id:mp-867912}
RD_772658336745_000 computation Reference Data From Materials Project: {formula:BaHgRuO5,spaceGroup:P6_3/m,id:mp-560702}
RD_772769222714_000 computation Reference Data From Materials Project: {formula:BaSrSn,spaceGroup:F-43m,id:mp-962062}
RD_773792409023_000 computation Reference Data From Materials Project: {formula:BaBiIO2,spaceGroup:Cmcm,id:mp-551243}
RD_774069697436_000 computation Reference Data From Materials Project: {formula:Ba38Na58Li26N,spaceGroup:F-43m,id:mp-570185}
RD_774625281422_000 computation Reference Data From Materials Project: {formula:BaSi23,spaceGroup:Pm-3n,id:mp-30185}
RD_774730098386_000 computation Reference Data From Materials Project: {formula:Ba4Ti13O30,spaceGroup:Cmce,id:mp-29298}
RD_774941120297_000 computation Reference Data From Materials Project: {formula:Ba3In2Cl2O5,spaceGroup:I4/mmm,id:mp-559933}
RD_775127908961_000 computation Reference Data From Materials Project: {formula:Ba3CeRu2O9,spaceGroup:P6_3/mmc,id:mp-6301}
RD_775429453068_000 computation Reference Data From Materials Project: {formula:Ba2SrIrO6,spaceGroup:Fm-3m,id:mp-9115}
RD_775843164488_000 computation Reference Data From Materials Project: {formula:Ba4Cu3Ge20,spaceGroup:Pm-3n,id:mp-669542}
RD_776043748980_000 computation Reference Data From Materials Project: {formula:KBa6Zn4(GaO3)7,spaceGroup:P1,id:mp-677520}
RD_776354071894_000 computation Reference Data From Materials Project: {formula:BaNa2O2,spaceGroup:P2_1/c,id:mp-756521}
RD_776599538459_000 computation Reference Data From Materials Project: {formula:Ba3Fe2Cl2O5,spaceGroup:I2_13,id:mp-565952}
RD_777218543965_000 computation Reference Data From Materials Project: {formula:Ba(As3Pt2)2,spaceGroup:C2/c,id:mp-14501}
RD_777472405171_000 computation Reference Data From Materials Project: {formula:BaVO3,spaceGroup:P-3m1,id:mp-19150}
RD_777989928376_000 computation Reference Data From Materials Project: {formula:BaSbPt,spaceGroup:P-6m2,id:mp-8606}
RD_778062658569_000 computation Reference Data From Materials Project: {formula:Ba8Nb7S24,spaceGroup:P2_1/c,id:mp-531036}
RD_778073545944_000 computation Reference Data From Materials Project: {formula:Ba3NaIrO6,spaceGroup:R-3c,id:mp-9746}
RD_778642118981_000 computation Reference Data From Materials Project: {formula:Ba2InBrO3,spaceGroup:P4/nmm,id:mp-555212}
RD_778795844775_000 computation Reference Data From Materials Project: {formula:TbBa2ReO6,spaceGroup:Fm-3m,id:mp-13931}
RD_778829357849_000 computation Reference Data From Materials Project: {formula:Ba2Sb2O5,spaceGroup:Pbnm,id:mp-765493}
RD_779241649968_000 computation Reference Data From Materials Project: {formula:BaSbAu,spaceGroup:P6_3/mmc,id:mp-568895}
RD_779393169166_000 computation Reference Data From Materials Project: {formula:Ba5Sb3,spaceGroup:P6_3/mcm,id:mp-9909}
RD_779549079984_000 computation Reference Data From Materials Project: {formula:BaMn3O6,spaceGroup:C2/m,id:mp-31984}
RD_779625169697_000 computation Reference Data From Materials Project: {formula:BaHIO,spaceGroup:Pnma,id:mp-643384}
RD_779727120558_000 computation Reference Data From Materials Project: {formula:BaLaI4,spaceGroup:C2/c,id:mp-30111}
RD_779739577500_000 computation Reference Data From Materials Project: {formula:Ba4Nd2Cd3Se10,spaceGroup:Cmc2_1,id:mp-10409}
RD_780056783488_000 computation Reference Data From Materials Project: {formula:Ba3W2O9,spaceGroup:R-3c,id:mp-18867}
RD_780109887539_000 computation Reference Data From Materials Project: {formula:BaLi2Si,spaceGroup:Pmnm,id:mp-27454}
RD_780369980718_000 computation Reference Data From Materials Project: {formula:BaCu(SeO3)2,spaceGroup:P2_1/c,id:mp-555570}
RD_780547248517_000 computation Reference Data From Materials Project: {formula:BaAlBO3F2,spaceGroup:P-62c,id:mp-558491}
RD_781510946108_000 computation Reference Data From Materials Project: {formula:BaGaBO3F2,spaceGroup:P6_3/m,id:mp-10509}
RD_781515660188_000 computation Reference Data From Materials Project: {formula:BaPaO3,spaceGroup:Pm-3m,id:mp-8557}
RD_781571034068_000 computation Reference Data From Materials Project: {formula:Ba15(ZrSe3)14,spaceGroup:R-3c,id:mp-620609}
RD_781593021836_000 computation Reference Data From Materials Project: {formula:Ba2Fe3F10,spaceGroup:P2_1/c,id:mp-553998}
RD_781832099957_000 computation Reference Data From Materials Project: {formula:BaZnO2,spaceGroup:P3_121,id:mp-4236}
RD_782084119429_000 computation Reference Data From Materials Project: {formula:BaPHO4,spaceGroup:Pbnm,id:mp-698163}
RD_782272976779_000 computation Reference Data From Materials Project: {formula:TbBa2IrO6,spaceGroup:Fm-3m,id:mp-12410}
RD_782305226539_000 computation Reference Data From Materials Project: {formula:BaNiO3,spaceGroup:P6_3/mmc,id:mp-19138}
RD_782331944079_000 computation Reference Data From Materials Project: {formula:BaZnGeO4,spaceGroup:P6_3,id:mp-757722}
RD_782370372956_000 computation Reference Data From Materials Project: {formula:BaMnP2O7,spaceGroup:P2_1/c,id:mp-25039}
RD_782408767902_000 computation Reference Data From Materials Project: {formula:Ba2HoNbO6,spaceGroup:Fm-3m,id:mp-12641}
RD_782724370012_000 computation Reference Data From Materials Project: {formula:Ba9La5Cl33,spaceGroup:P-1,id:mp-781880}
RD_782945500019_000 computation Reference Data From Materials Project: {formula:BaNaIn2(PO4)3,spaceGroup:P2_13,id:mp-677179}
RD_783106019347_000 computation Reference Data From Materials Project: {formula:Ba3V4O13,spaceGroup:C2/c,id:mp-505392}
RD_783148890470_000 computation Reference Data From Materials Project: {formula:Ba3Sc(BO3)3,spaceGroup:P6_3cm,id:mp-14972}
RD_783318234914_000 computation Reference Data From Materials Project: {formula:Ba(PRh)2,spaceGroup:I4/mmm,id:mp-8583}
RD_783600820901_000 computation Reference Data From Materials Project: {formula:Ba2Ce2O5,spaceGroup:Pbam,id:mp-769656}
RD_784047084237_000 computation Reference Data From Materials Project: {formula:Ba(ClO3)2,spaceGroup:F2dd,id:mp-28512}
RD_784438786950_000 computation Reference Data From Materials Project: {formula:Ba6Ti17O40,spaceGroup:C2/c,id:mp-556729}
RD_784474005607_000 computation Reference Data From Materials Project: {formula:K2Ba(Ge4O9)2,spaceGroup:P-3c1,id:mp-662803}
RD_784764851762_000 computation Reference Data From Materials Project: {formula:BaZrF6,spaceGroup:Cmme,id:mp-8232}
RD_784940903061_000 computation Reference Data From Materials Project: {formula:Ba10P6SO24,spaceGroup:P-3,id:mp-16990}
RD_785000335250_000 computation Reference Data From Materials Project: {formula:Ba2LaIrO6,spaceGroup:R-3,id:mp-550081}
RD_785243928970_000 computation Reference Data From Materials Project: {formula:BaH4(CO3)2,spaceGroup:P2_1/c,id:mp-555646}
RD_785856709990_000 computation Reference Data From Materials Project: {formula:Ba2U2O7,spaceGroup:Imcm,id:mp-583034}
RD_786245096745_000 computation Reference Data From Materials Project: {formula:Ba5V5O14,spaceGroup:P1,id:mp-863944}
RD_786378481524_000 computation Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:P4/mmm,id:mp-19990}
RD_786728154371_000 computation Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:P2/m,id:mp-753575}
RD_786905040783_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_787274620297_000 computation Reference Data From Materials Project: {formula:Ba3CrN3,spaceGroup:P6_3/m,id:mp-12905}
RD_787583183064_000 computation Reference Data From Materials Project: {formula:BaZrO3,spaceGroup:Pm-3m,id:mp-3834}
RD_787654207828_000 computation Reference Data From Materials Project: {formula:Ba2LiTi11O24,spaceGroup:P1,id:mp-767384}
RD_788316838577_000 computation Reference Data From Materials Project: {formula:Ba2CuTeO6,spaceGroup:C2/m,id:mp-560502}
RD_788474088075_000 computation Reference Data From Materials Project: {formula:BaMnO3,spaceGroup:P6_3/mmc,id:mp-565592}
RD_788533603980_000 computation Reference Data From Materials Project: {formula:EuBa2NbO6,spaceGroup:Fm-3m,id:mp-22279}
RD_788633165530_000 computation Reference Data From Materials Project: {formula:BaLa2BeO5,spaceGroup:P2_1/c,id:mp-18414}
RD_788938283163_000 computation Reference Data From Materials Project: {formula:Ba2In2O5,spaceGroup:Cm2e,id:mp-766276}
RD_789295838014_000 computation Reference Data From Materials Project: {formula:BaRuO3,spaceGroup:P6_3/mmc,id:mp-3597}
RD_789764458861_000 computation Reference Data From Materials Project: {formula:BaTe3,spaceGroup:P-42_1m,id:mp-8234}
RD_790157365638_000 computation Reference Data From Materials Project: {formula:BaPt2,spaceGroup:Fd-3m,id:mp-747}
RD_790178434100_000 computation Reference Data From Materials Project: {formula:Ba2PrSbO6,spaceGroup:Fm-3m,id:mp-10731}
RD_790950806096_000 computation Reference Data From Materials Project: {formula:Ba2Pd(OF)2,spaceGroup:I4/mmm,id:mp-6123}
RD_791568892776_000 computation Reference Data From Materials Project: {formula:BaZr(BO3)2,spaceGroup:R-3c,id:mp-559348}
RD_791879111825_000 computation Reference Data From Materials Project: {formula:BaMo2Se2O11,spaceGroup:Ccm2_1,id:mp-567328}
RD_792189645280_000 computation Reference Data From Materials Project: {formula:BaTl2,spaceGroup:P6_3/mmc,id:mp-30434}
RD_792725783806_000 computation Reference Data From Materials Project: {formula:Ba6Na2Nb2P2O17,spaceGroup:P-3m1,id:mp-556637}
RD_792817666098_000 computation Reference Data From Materials Project: {formula:Ba3GeO5,spaceGroup:R3m,id:mp-756637}
RD_793276321458_000 computation Reference Data From Materials Project: {formula:Ba21Al40,spaceGroup:P31m,id:mp-567701}
RD_793370321703_000 computation Reference Data From Materials Project: {formula:Ba2SnS4,spaceGroup:P2_1/c,id:mp-541832}
RD_793747268071_000 computation Reference Data From Materials Project: {formula:Ba2GdNbO6,spaceGroup:Fm-3m,id:mp-19996}
RD_794213624536_000 computation Reference Data From Materials Project: {formula:BaRhO3,spaceGroup:P6_3/mmc,id:mp-7685}
RD_794499273207_000 computation Reference Data From Materials Project: {formula:Ba5P9,spaceGroup:F2dd,id:mp-567378}
RD_794761244319_000 computation Reference Data From Materials Project: {formula:Ba11(Cd4Bi7)2,spaceGroup:C2/m,id:mp-655147}
RD_795014977672_000 computation Reference Data From Materials Project: {formula:BaLaI5,spaceGroup:P2_1/c,id:mp-772080}
RD_795089043667_000 computation Reference Data From Materials Project: {formula:BaCu2GeSe4,spaceGroup:P3_121,id:mp-17252}
RD_795237101632_000 computation Reference Data From Materials Project: {formula:Ba2Li(CuO2)3,spaceGroup:Fmmm,id:mp-18713}
RD_796265569919_000 computation Reference Data From Materials Project: {formula:Ba7Na3Ti7Nb3O30,spaceGroup:Pm,id:mp-695409}
RD_796860157156_000 computation Reference Data From Materials Project: {formula:Ba2DySbO6,spaceGroup:Fm-3m,id:mp-6192}
RD_796914526354_000 computation Reference Data From Materials Project: {formula:BaGe2O5,spaceGroup:P2_1/c,id:mp-558184}
RD_797172209812_000 computation Reference Data From Materials Project: {formula:Ba14Na7CaN6,spaceGroup:R-3c,id:mp-570449}
RD_797379714501_000 computation Reference Data From Materials Project: {formula:Ba2Na(CuO2)3,spaceGroup:Fmmm,id:mp-6496}
RD_797781292329_000 computation Reference Data From Materials Project: {formula:BaC2(SN)2,spaceGroup:C2/c,id:mp-10928}
RD_798402796196_000 computation Reference Data From Materials Project: {formula:Ba6Na2V2Ru2O17,spaceGroup:P6_3/mmc,id:mp-19501}
RD_799241678498_000 computation Reference Data From Materials Project: {formula:Ba5In4Bi5,spaceGroup:P4nc,id:mp-31407}
RD_799390446558_000 computation Reference Data From Materials Project: {formula:Ba5Co5O14,spaceGroup:P-3m1,id:mp-24896}
RD_799728949295_000 computation Reference Data From Materials Project: {formula:BaNaSb,spaceGroup:F-43m,id:mp-961774}
RD_799856196075_000 computation Reference Data From Materials Project: {formula:Ba6Cu11F34,spaceGroup:P-1,id:mp-15387}
RD_800240334992_000 computation Reference Data From Materials Project: {formula:BaCu2GeS4,spaceGroup:P3_121,id:mp-17947}
RD_800861358017_000 computation Reference Data From Materials Project: {formula:Ba3NiSb2O9,spaceGroup:P6_3/mmc,id:mp-19697}
RD_801175313812_000 computation Reference Data From Materials Project: {formula:BaH9IO5,spaceGroup:P-1,id:mp-766855}
RD_801190437151_000 computation Reference Data From Materials Project: {formula:Ba3(AlGe)2,spaceGroup:Immm,id:mp-10669}
RD_801716671048_000 computation Reference Data From Materials Project: {formula:BaEr2CoO5,spaceGroup:Immm,id:mp-18746}
RD_802026088507_000 computation Reference Data From Materials Project: {formula:KBaVO4,spaceGroup:Pmnb,id:mp-18892}
RD_802215918301_000 computation Reference Data From Materials Project: {formula:Ba2Nb15O32,spaceGroup:R-3,id:mp-28675}
RD_802574384894_000 computation Reference Data From Materials Project: {formula:BaLiAs,spaceGroup:P-6m2,id:mp-10616}
RD_803019998271_000 computation Reference Data From Materials Project: {formula:BaZn(SeO3)2,spaceGroup:P2_1/c,id:mp-639278}
RD_803028905434_000 computation Reference Data From Materials Project: {formula:BaGa12O19,spaceGroup:P6_3mc,id:mp-850536}
RD_803181222496_000 computation Reference Data From Materials Project: {formula:Ba3Y(BO2)9,spaceGroup:P6_3/m,id:mp-559066}
RD_803410425518_000 computation Reference Data From Materials Project: {formula:YbBa2(CuO2)4,spaceGroup:Cmmm,id:mp-15039}
RD_803576481696_000 computation Reference Data From Materials Project: {formula:BaMo2P3O14,spaceGroup:Cc,id:mp-640584}
RD_803735693018_000 computation Reference Data From Materials Project: {formula:Ba3Ti3(BO6)2,spaceGroup:P-62m,id:mp-11772}
RD_803889328363_000 computation Reference Data From Materials Project: {formula:BaNaHg2,spaceGroup:Fm-3m,id:mp-867147}
RD_804001125796_000 computation Reference Data From Materials Project: {formula:Ba5Gd8Mn4O21,spaceGroup:I4/m,id:mp-19485}
RD_804036587745_000 computation Reference Data From Materials Project: {formula:BaMnO3,spaceGroup:P6_3/mmc,id:mp-565592}
RD_805300465762_000 computation Reference Data From Materials Project: {formula:Ba14Pd3Ir8O33,spaceGroup:P321,id:mp-680547}
RD_805462348943_000 computation Reference Data From Materials Project: {formula:Ba5Sb4,spaceGroup:Cmce,id:mp-10089}
RD_805678611945_000 computation Reference Data From Materials Project: {formula:Ba3BPO7,spaceGroup:P6_3mc,id:mp-554479}
RD_805843043526_000 computation Reference Data From Materials Project: {formula:BaCa4(CuN2)2,spaceGroup:P4/ncc,id:mp-569603}
RD_805942707580_000 computation Reference Data From Materials Project: {formula:Ba3Y(BO3)3,spaceGroup:P6_3cm,id:mp-6310}
RD_806163503810_000 computation Reference Data From Materials Project: {formula:Ba3MoN4,spaceGroup:Pcab,id:mp-8863}
RD_806710234569_000 computation Reference Data From Materials Project: {formula:Ba2CoMoO6,spaceGroup:Fm-3m,id:mp-18967}
RD_806999229804_000 computation Reference Data From Materials Project: {formula:BaLiSi,spaceGroup:P-6m2,id:mp-9950}
RD_807481993101_000 computation Reference Data From Materials Project: {formula:BaTi6O12,spaceGroup:I4/m,id:mp-757206}
RD_807987415004_000 computation Reference Data From Materials Project: {formula:Ba3SmIr2O9,spaceGroup:P6_3/mmc,id:mp-540692}
RD_808034979689_000 computation Reference Data From Materials Project: {formula:BaTiOF4,spaceGroup:Pcmb,id:mp-16915}
RD_808388686099_000 computation Reference Data From Materials Project: {formula:Ba2SnS3F2,spaceGroup:Pnam,id:mp-17918}
RD_808746224565_000 computation Reference Data From Materials Project: {formula:Ba3YF9,spaceGroup:Pnma,id:mp-777258}
RD_808870323339_000 computation Reference Data From Materials Project: {formula:Ba3NaN,spaceGroup:P6_3/mmc,id:mp-8868}
RD_808898250379_000 computation Reference Data From Materials Project: {formula:Ba(MgP)2,spaceGroup:P-3m1,id:mp-8278}
RD_809258966263_000 computation Reference Data From Materials Project: {formula:BaAlH5,spaceGroup:Pna2_1,id:mp-644097}
RD_809642846860_000 computation Reference Data From Materials Project: {formula:BaBAsO5,spaceGroup:P3_121,id:mp-9784}
RD_810728025018_000 computation Reference Data From Materials Project: {formula:Ba3(Mo9O14)2,spaceGroup:P2_1,id:mp-745095}
RD_810931299869_000 computation Reference Data From Materials Project: {formula:Ba2V(SiO4)2,spaceGroup:P4bm,id:mp-19179}
RD_811253712926_000 computation Reference Data From Materials Project: {formula:RbBaMnO4,spaceGroup:Pmnb,id:mp-19681}
RD_811269948405_000 computation Reference Data From Materials Project: {formula:Ba16Bi16O45,spaceGroup:Pmm2,id:mp-532092}
RD_811338285244_000 computation Reference Data From Materials Project: {formula:Ba4Ge20Pd3,spaceGroup:Pm-3n,id:mp-30170}
RD_812665300450_000 computation Reference Data From Materials Project: {formula:Ba3Ag2,spaceGroup:R-3,id:mp-12612}
RD_813517139119_000 computation Reference Data From Materials Project: {formula:BaY2F8,spaceGroup:C2/m,id:mp-768240}
RD_813726929535_000 computation Reference Data From Materials Project: {formula:Ba5Ru2Cl2O9,spaceGroup:P6_3/mmc,id:mp-556443}
RD_813939005452_000 computation Reference Data From Materials Project: {formula:BaAl2(SiO4)2,spaceGroup:C2/c,id:mp-17979}
RD_814285571614_000 computation Reference Data From Materials Project: {formula:BaBe13,spaceGroup:Fm-3c,id:mp-30425}
RD_814316925586_000 computation Reference Data From Materials Project: {formula:BaPbO3,spaceGroup:Pm-3m,id:mp-21280}
RD_814519679108_000 computation Reference Data From Materials Project: {formula:Ba2Co4ClO7,spaceGroup:R-3m,id:mp-646670}
RD_814652779378_000 computation Reference Data From Materials Project: {formula:Ba2HoNbO6,spaceGroup:Fm-3m,id:mp-12641}
RD_814872729375_000 computation Reference Data From Materials Project: {formula:BaHgO2,spaceGroup:P6_322,id:mp-556118}
RD_815160969836_000 computation Reference Data From Materials Project: {formula:Ba4Y2O7,spaceGroup:P2_1/c,id:mp-779544}
RD_815430730356_000 computation Reference Data From Materials Project: {formula:BaPt5,spaceGroup:P6/mmm,id:mp-811}
RD_816045320015_000 computation Reference Data From Materials Project: {formula:Ba2ReO5,spaceGroup:Pmnb,id:mp-505390}
RD_816541622947_000 computation Reference Data From Materials Project: {formula:Ba3V2S4O3,spaceGroup:P6_3,id:mp-19652}
RD_816552524694_000 computation Reference Data From Materials Project: {formula:BaWO4,spaceGroup:Ccmm,id:mp-566504}
RD_816740613657_000 computation Reference Data From Materials Project: {formula:Ba3Pb5,spaceGroup:Cmcm,id:mp-630923}
RD_817174943676_000 computation Reference Data From Materials Project: {formula:Ba(AlTe2)2,spaceGroup:P4/nbm,id:mp-28505}
RD_817536813213_000 computation Reference Data From Materials Project: {formula:Ba3PbO,spaceGroup:Pm-3m,id:mp-29242}
RD_817718293205_000 computation Reference Data From Materials Project: {formula:Tb2BaTe4,spaceGroup:Pmnb,id:mp-17153}
RD_817825336880_000 computation Reference Data From Materials Project: {formula:BaNa2V2CuO8,spaceGroup:C2/c,id:mp-505125}
RD_817865549764_000 computation Reference Data From Materials Project: {formula:BaGePt,spaceGroup:P2_13,id:mp-22151}
RD_818150321491_000 computation Reference Data From Materials Project: {formula:Ba7Ga4Sb9,spaceGroup:Pnmm,id:mp-28314}
RD_818350893693_000 computation Reference Data From Materials Project: {formula:BaCu3O4,spaceGroup:Cmmm,id:mp-546449}
RD_818724477808_000 computation Reference Data From Materials Project: {formula:BaAg5,spaceGroup:P6/mmm,id:mp-1814}
RD_818727138825_000 computation Reference Data From Materials Project: {formula:Ba4Tl2Cu2HgO10,spaceGroup:I4/mmm,id:mp-561182}
RD_818757651995_000 computation Reference Data From Materials Project: {formula:Ba2P6O17,spaceGroup:P2_1/c,id:mp-779723}
RD_818817157505_000 computation Reference Data From Materials Project: {formula:BaNb2O6,spaceGroup:C222_1,id:mp-555050}
RD_818930990093_000 computation Reference Data From Materials Project: {formula:Ba(Cu3As)2,spaceGroup:P4/mmm,id:mp-505215}
RD_818958385791_000 computation Reference Data From Materials Project: {formula:TbBaO3,spaceGroup:Pm-3m,id:mp-2929}
RD_819042631168_000 computation Reference Data From Materials Project: {formula:Ba2Na2O3,spaceGroup:P4_32_12,id:mp-752395}
RD_819651693189_000 computation Reference Data From Materials Project: {formula:Ba2CdReO6,spaceGroup:Fm-3m,id:mp-551702}
RD_819700218097_000 computation Reference Data From Materials Project: {formula:Ba4SiAs4,spaceGroup:P-43n,id:mp-14001}
RD_820150238415_000 computation Reference Data From Materials Project: {formula:BaCuO2,spaceGroup:P4/mmm,id:mp-752398}
RD_820179592094_000 computation Reference Data From Materials Project: {formula:YbBa2SbO6,spaceGroup:Fm-3m,id:mp-14294}
RD_820362916629_000 computation Reference Data From Materials Project: {formula:Ba3BAsO3,spaceGroup:P6_3/mmc,id:mp-9793}
RD_820813798179_000 computation Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:Pbcn,id:mp-766317}
RD_821100019881_000 computation Reference Data From Materials Project: {formula:Ba(NO3)2,spaceGroup:Pa3,id:mp-4396}
RD_821130105223_000 computation Reference Data From Materials Project: {formula:BaSn2,spaceGroup:P-3m1,id:mp-567510}
RD_821190256408_000 computation Reference Data From Materials Project: {formula:BaNd2CuO5,spaceGroup:P4/mbm,id:mp-6704}
RD_821211415259_000 computation Reference Data From Materials Project: {formula:Ba4Nd2Cu2O9,spaceGroup:P-4n2,id:mp-560766}
RD_821438570004_000 computation Reference Data From Materials Project: {formula:Ba(InTe2)2,spaceGroup:Cccm,id:mp-21183}
RD_821515965188_000 computation Reference Data From Materials Project: {formula:Ba3Co10O17,spaceGroup:R-3m,id:mp-647340}
RD_822052696030_000 computation Reference Data From Materials Project: {formula:Ba2LaI7,spaceGroup:P2_1/c,id:mp-772141}
RD_822218065991_000 computation Reference Data From Materials Project: {formula:Ba3Hf2O7,spaceGroup:I4/mmm,id:mp-754128}
RD_822831678457_000 computation Reference Data From Materials Project: {formula:BaH8C6(N3O4)2,spaceGroup:P-1,id:mp-695996}
RD_823330734931_000 computation Reference Data From Materials Project: {formula:Ba4Y3F17,spaceGroup:P1,id:mp-34578}
RD_824122204039_000 computation Reference Data From Materials Project: {formula:Ba4Ag3Ge20,spaceGroup:Pm-3n,id:mp-570662}
RD_824159663197_000 computation Reference Data From Materials Project: {formula:Ba2Mn(AsO4)2,spaceGroup:P2_1/c,id:mp-567087}
RD_824320329614_000 computation Reference Data From Materials Project: {formula:BaCrO3,spaceGroup:P6_3/mmc,id:mp-562041}
RD_824505701596_000 computation Reference Data From Materials Project: {formula:Ba6Na2P2Ru2O17,spaceGroup:P6_3/mmc,id:mp-774691}
RD_824685867846_000 computation Reference Data From Materials Project: {formula:Ba(RhPb2)3,spaceGroup:Cmcm,id:mp-30432}
RD_824938562572_000 computation Reference Data From Materials Project: {formula:Ba2InIrO6,spaceGroup:P-3m1,id:mp-638553}
RD_825288503365_000 computation Ba in AFLOW crystal prototype A_tI8_140_h. 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_825553475147_000 computation Reference Data From Materials Project: {formula:Ba3NbGa3(SiO7)2,spaceGroup:P321,id:mp-12881}
RD_825986381701_000 computation Reference Data From Materials Project: {formula:Ba(Si3N4)2,spaceGroup:I2mm,id:mp-567771}
RD_826090631342_000 computation Reference Data From Materials Project: {formula:Ba2(SnSb2)3,spaceGroup:Pmnb,id:mp-29087}
RD_826111363724_000 computation Reference Data From Materials Project: {formula:BaRe2H12C3N6O11,spaceGroup:P2_1/c,id:mp-722880}
RD_826351330302_000 computation Reference Data From Materials Project: {formula:Ba2Ti6N2O11,spaceGroup:Cm,id:mp-755881}
RD_826498395971_000 computation Reference Data From Materials Project: {formula:BaBi4(IO2)2,spaceGroup:I4/mmm,id:mp-546846}
RD_826614403996_000 computation Reference Data From Materials Project: {formula:Ba(GaO2)2,spaceGroup:P6_3,id:mp-680226}
RD_826802060686_000 computation Reference Data From Materials Project: {formula:BaCu2Ge2O7,spaceGroup:Pnam,id:mp-542101}
RD_826913221327_000 computation Reference Data From Materials Project: {formula:BaMnO3,spaceGroup:P6_3cm,id:mp-19267}
RD_826913919230_000 computation Reference Data From Materials Project: {formula:BaVCdP2O9,spaceGroup:Pbca,id:mp-699566}
RD_827289471342_000 computation Reference Data From Materials Project: {formula:BaLiGe2,spaceGroup:Pmnb,id:mp-13140}
RD_827364173781_000 computation Reference Data From Materials Project: {formula:Ba2Na(NiO2)3,spaceGroup:Fmmm,id:mp-19397}
RD_827408157460_000 computation Reference Data From Materials Project: {formula:BaAs3,spaceGroup:C2/m,id:mp-15325}
RD_827687602310_000 computation Reference Data From Materials Project: {formula:Ba3Sb4O,spaceGroup:P2_1/c,id:mp-555414}
RD_828152864153_000 computation Reference Data From Materials Project: {formula:BaPbO3,spaceGroup:C2/m,id:mp-20461}
RD_828444499149_000 computation Reference Data From Materials Project: {formula:Ba4Na(RuO4)3,spaceGroup:P6_3mc,id:mp-542286}
RD_828823618571_000 computation Reference Data From Materials Project: {formula:BaP4O11,spaceGroup:P2_1/c,id:mp-849230}
RD_829379500851_000 computation Reference Data From Materials Project: {formula:Ba3NaIr2O9,spaceGroup:P6_3/mmc,id:mp-21876}
RD_829512037659_000 computation Reference Data From Materials Project: {formula:Tb2BaO4,spaceGroup:Pmnb,id:mp-18258}
RD_829656052333_000 computation Reference Data From Materials Project: {formula:Ba3Si23,spaceGroup:Pm-3n,id:mp-30186}
RD_830281445805_000 computation Reference Data From Materials Project: {formula:Ba3CoRu2O9,spaceGroup:P6_3/mmc,id:mp-19058}
RD_830300038160_000 computation Reference Data From Materials Project: {formula:Ba(CdP)2,spaceGroup:P-3m1,id:mp-8279}
RD_830435450853_000 computation Reference Data From Materials Project: {formula:Ba2SiS4,spaceGroup:Pmnb,id:mp-5838}
RD_830467573954_000 computation Reference Data From Materials Project: {formula:BaGePt,spaceGroup:P2_13,id:mp-22151}
RD_830679808602_000 computation Reference Data From Materials Project: {formula:Ba(CuTe)2,spaceGroup:Pmnb,id:mp-30133}
RD_830860620995_000 computation Reference Data From Materials Project: {formula:BaCaCO3,spaceGroup:P6_3mc,id:mp-696695}
RD_831011016565_000 computation Reference Data From Materials Project: {formula:Ba2YBiO6,spaceGroup:Fm-3m,id:mp-23137}
RD_831076653929_000 computation Reference Data From Materials Project: {formula:BaYI5,spaceGroup:P2_1/c,id:mp-776479}
RD_831105417694_000 computation Reference Data From Materials Project: {formula:BaYBr5,spaceGroup:C2/c,id:mp-754021}
RD_831200263312_000 computation Reference Data From Materials Project: {formula:BaMgF4,spaceGroup:Ccm2_1,id:mp-14568}
RD_831289091851_000 computation Reference Data From Materials Project: {formula:BaB8O13,spaceGroup:P4_122,id:mp-27794}
RD_831302754667_000 computation Reference Data From Materials Project: {formula:YbBaCo4O7,spaceGroup:Pc2_1n,id:mp-542705}
RD_832001560440_000 computation Reference Data From Materials Project: {formula:BaSi2(H3O4)2,spaceGroup:P2_1/c,id:mp-721586}
RD_832041451199_000 computation Reference Data From Materials Project: {formula:BaVSe3,spaceGroup:P6_3/mmc,id:mp-27363}
RD_832111530108_000 computation Reference Data From Materials Project: {formula:Ba2Tl7Au,spaceGroup:Pmcn,id:mp-31071}
RD_832282996232_000 computation Reference Data From Materials Project: {formula:Ba(FeO2)2,spaceGroup:P6_322,id:mp-19285}
RD_832534547969_000 computation Reference Data From Materials Project: {formula:Ba4Ni3Ge20,spaceGroup:Pm-3n,id:mp-30169}
RD_832565018568_000 computation Reference Data From Materials Project: {formula:Ba(Cu2As)2,spaceGroup:R-3m,id:mp-16052}
RD_832597431353_000 computation Reference Data From Materials Project: {formula:BaFeO3,spaceGroup:Pm-3m,id:mp-19035}
RD_832752197492_000 computation Reference Data From Materials Project: {formula:BaEr2F8,spaceGroup:C2/m,id:mp-12803}
RD_832773972460_000 computation Reference Data From Materials Project: {formula:Ba3NaIr2O9,spaceGroup:C2/c,id:mp-20529}
RD_833201519780_000 computation Reference Data From Materials Project: {formula:BaZrO3,spaceGroup:Pm-3m,id:mp-3834}
RD_833212468593_000 computation Reference Data From Materials Project: {formula:BaB6,spaceGroup:Pm-3m,id:mp-954}
RD_833409380466_000 computation Reference Data From Materials Project: {formula:BaSi2,spaceGroup:P6/mmm,id:mp-7701}
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RD_834064122366_000 computation Reference Data From Materials Project: {formula:Ba4Na(RuO4)3,spaceGroup:P6_3mc,id:mp-542286}
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RD_835910928479_000 computation Reference Data From Materials Project: {formula:Ba2Nd2Co4O11,spaceGroup:Pm2m,id:mp-561781}
RD_836025787169_000 computation Reference Data From Materials Project: {formula:Yb2Ba(MoO4)4,spaceGroup:C2/c,id:mp-704669}
RD_836430687304_000 computation Reference Data From Materials Project: {formula:Ba4Nb3O12,spaceGroup:P6_3mc,id:mp-774719}
RD_836755838419_000 computation Reference Data From Materials Project: {formula:BaSiTc2,spaceGroup:F-43m,id:mp-631504}
RD_837657081809_000 computation Reference Data From Materials Project: {formula:Ba6Nb4S13O3,spaceGroup:Pcmn,id:mp-583297}
RD_837724000975_000 computation Reference Data From Materials Project: {formula:KBaPO4,spaceGroup:Pmnb,id:mp-6812}
RD_838236878006_000 computation Reference Data From Materials Project: {formula:BaLiSi,spaceGroup:P-6m2,id:mp-9950}
RD_838357393670_000 computation Reference Data From Materials Project: {formula:YbBa2NbO6,spaceGroup:Fm-3m,id:mp-19751}
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RD_839887194404_000 computation Reference Data From Materials Project: {formula:EuBa2TaO6,spaceGroup:I4/m,id:mp-21348}
RD_840218404481_000 computation Reference Data From Materials Project: {formula:Ba2B5ClO9,spaceGroup:P2nn,id:mp-555742}
RD_840221627309_000 computation Reference Data From Materials Project: {formula:Ba2(Mo2S3)3,spaceGroup:P6_3mc,id:mp-532273}
RD_840323810846_000 computation Reference Data From Materials Project: {formula:BaPr2ZnS5,spaceGroup:I4/mcm,id:mp-16454}
RD_840638727249_000 computation Reference Data From Materials Project: {formula:Ba2ErCl7,spaceGroup:P2_1/c,id:mp-651358}
RD_840722019671_000 computation Reference Data From Materials Project: {formula:Ba6YI15,spaceGroup:P2_1/c,id:mp-776610}
RD_840728322035_000 computation Reference Data From Materials Project: {formula:Ba(HO)2,spaceGroup:P1,id:mp-627077}
RD_841004976499_000 computation Reference Data From Materials Project: {formula:Ba2HoTaO6,spaceGroup:I4/m,id:mp-13000}
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RD_842839583507_000 computation Reference Data From Materials Project: {formula:Ba8P5Br,spaceGroup:I-4,id:mp-34034}
RD_842896756867_000 computation Reference Data From Materials Project: {formula:Ba3SnP3,spaceGroup:P2_1/c,id:mp-540923}
RD_843503760487_000 computation Reference Data From Materials Project: {formula:Ba(BO2)2,spaceGroup:R-3c,id:mp-540659}
RD_843905422086_000 computation Reference Data From Materials Project: {formula:Ba2ZnAg2(SeO)2,spaceGroup:Cmce,id:mp-622268}
RD_844046801986_000 computation Reference Data From Materials Project: {formula:BaP2(HO4)2,spaceGroup:Pccn,id:mp-707120}
RD_844058867120_000 computation Reference Data From Materials Project: {formula:Ba5Al5Pb,spaceGroup:P-6m2,id:mp-568809}
RD_844209241931_000 computation Reference Data From Materials Project: {formula:Ba6ZrO8,spaceGroup:Fm-3m,id:mp-755556}
RD_844958120700_000 computation Reference Data From Materials Project: {formula:Ba10Mg3ZrTa6O30,spaceGroup:R-3m,id:mp-686330}
RD_845100567135_000 computation Reference Data From Materials Project: {formula:BaI2,spaceGroup:P-62m,id:mp-568536}
RD_845416681853_000 computation Reference Data From Materials Project: {formula:Ba7MnFe6F34,spaceGroup:C2/m,id:mp-556644}
RD_845565992719_000 computation Reference Data From Materials Project: {formula:Ba2SnSe5,spaceGroup:P2_12_12_1,id:mp-31307}
RD_845709741890_000 computation Reference Data From Materials Project: {formula:Ba3(BN2)2,spaceGroup:P2_12_12_1,id:mp-30905}
RD_846075030957_000 computation Reference Data From Materials Project: {formula:BaCu,spaceGroup:P6_3/mmc,id:mp-30428}
RD_846366275607_000 computation Reference Data From Materials Project: {formula:Ba2YB2ClO6,spaceGroup:P2_1/m,id:mp-866310}
RD_846988016404_000 computation Reference Data From Materials Project: {formula:BaCuSb,spaceGroup:P6_3/mmc,id:mp-11700}
RD_847134846488_000 computation Reference Data From Materials Project: {formula:Ba2Si,spaceGroup:Pmnb,id:mp-9905}
RD_847652787137_000 computation Reference Data From Materials Project: {formula:Ba3NaBiO6,spaceGroup:R-3c,id:mp-556316}
RD_848001534687_000 computation Reference Data From Materials Project: {formula:TbBaO3,spaceGroup:Pm-3m,id:mp-2929}
RD_848098149606_000 computation Reference Data From Materials Project: {formula:BaCo2Si2O7,spaceGroup:C2/c,id:mp-19203}
RD_848671816787_000 computation Reference Data From Materials Project: {formula:Ba4Y(CuO3)3,spaceGroup:Pm-3n,id:mp-643409}
RD_849031109146_000 computation Reference Data From Materials Project: {formula:TbBaMn2O6,spaceGroup:Pbmm,id:mp-566190}
RD_849059328050_000 computation Reference Data From Materials Project: {formula:BaCO3,spaceGroup:P6_3/mmc,id:mp-545643}
RD_849413270317_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_849550480780_000 computation Reference Data From Materials Project: {formula:Ba3SbN,spaceGroup:P6_3/mmc,id:mp-12814}
RD_849812417500_000 computation Reference Data From Materials Project: {formula:Ba2YCl7,spaceGroup:P2_1/c,id:mp-769005}
RD_849977395634_000 computation Reference Data From Materials Project: {formula:Ba(MgP)2,spaceGroup:P-3m1,id:mp-8278}
RD_850138572112_000 computation Reference Data From Materials Project: {formula:Ba3SrNb2O9,spaceGroup:P6_3/m,id:mp-540949}
RD_850543873663_000 computation Reference Data From Materials Project: {formula:Ba3(AlSn)2,spaceGroup:Immm,id:mp-7377}
RD_850623112810_000 computation Reference Data From Materials Project: {formula:CsBa2Cr2F11,spaceGroup:I4/mmm,id:mp-865726}
RD_850800345506_000 computation Reference Data From Materials Project: {formula:BaZnSn,spaceGroup:P6_3/mmc,id:mp-31148}
RD_851818223461_000 computation Reference Data From Materials Project: {formula:BaMnGe,spaceGroup:P4/nmm,id:mp-20639}
RD_851897168718_000 computation Reference Data From Materials Project: {formula:BaLi(BS2)3,spaceGroup:Cc,id:mp-557892}
RD_852202980577_000 computation Reference Data From Materials Project: {formula:BaMn2O3,spaceGroup:Immm,id:mp-540612}
RD_852908105499_000 computation Reference Data From Materials Project: {formula:BaCuTe2O7,spaceGroup:C2cm,id:mp-557735}
RD_853123002730_000 computation Reference Data From Materials Project: {formula:Ba2PrPtO6,spaceGroup:Fm-3m,id:mp-9319}
RD_853156286704_000 computation Reference Data From Materials Project: {formula:BaLa3Mn4O12,spaceGroup:R-3c,id:mp-743768}
RD_853327247042_000 computation Reference Data From Materials Project: {formula:BaGdCuSe3,spaceGroup:Cmcm,id:mp-20157}
RD_853415702314_000 computation Reference Data From Materials Project: {formula:BaI2,spaceGroup:P-62m,id:mp-568536}
RD_854473134623_000 computation Reference Data From Materials Project: {formula:BaNdGaO4,spaceGroup:P2_12_12_1,id:mp-541281}
RD_854782762424_000 computation Reference Data From Materials Project: {formula:Ba6Na2Nb2P2O17,spaceGroup:P-3m1,id:mp-556637}
RD_854821294017_000 computation Reference Data From Materials Project: {formula:Ba2TeP2O9,spaceGroup:P-1,id:mp-560742}
RD_854834284352_000 computation Reference Data From Materials Project: {formula:Ba3Bi(ClO)3,spaceGroup:Pnma,id:mp-556855}
RD_854963087114_000 computation Reference Data From Materials Project: {formula:BaSeO3,spaceGroup:P2_1/m,id:mp-6989}
RD_855041668152_000 computation Reference Data From Materials Project: {formula:BaTm2O4,spaceGroup:Cmcm,id:mp-752684}
RD_855161475172_000 computation Reference Data From Materials Project: {formula:Ba2B2O5,spaceGroup:P-1,id:mp-753413}
RD_855342550737_000 computation Reference Data From Materials Project: {formula:Ba3Sn2S7,spaceGroup:P2_1/c,id:mp-556291}
RD_855567074721_000 computation Reference Data From Materials Project: {formula:Ba(WO3)6,spaceGroup:P6mm,id:mp-765995}
RD_855680787135_000 computation Reference Data From Materials Project: {formula:Ba3YI9,spaceGroup:Pnma,id:mp-771922}
RD_856030892947_000 computation Reference Data From Materials Project: {formula:Ba2YBr7,spaceGroup:P2_1/c,id:mp-752620}
RD_856144206172_000 computation Reference Data From Materials Project: {formula:Ba3PrRu2O9,spaceGroup:P6_3/mmc,id:mp-16821}
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RD_856438675226_000 computation Reference Data From Materials Project: {formula:BaY3Br11,spaceGroup:Pbmm,id:mp-753942}
RD_856482008036_000 computation Reference Data From Materials Project: {formula:Ba2Si3Ni,spaceGroup:P-62m,id:mp-29819}
RD_856810582903_000 computation Reference Data From Materials Project: {formula:Ba5Co5ClO13,spaceGroup:P6_3/mmc,id:mp-505813}
RD_856937873949_000 computation Reference Data From Materials Project: {formula:Ba4Ta2TiZnO12,spaceGroup:I4_1/amd,id:mp-676665}
RD_857350441934_000 computation Reference Data From Materials Project: {formula:BaFe2(P2O7)2,spaceGroup:C2/c,id:mp-623382}
RD_857595487182_000 computation Reference Data From Materials Project: {formula:Ba(H8O5)2,spaceGroup:Pc,id:mp-626263}
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RD_858459808948_000 computation Reference Data From Materials Project: {formula:Ba3Na2(CN2)4,spaceGroup:P2_1/c,id:mp-571621}
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RD_858878432069_000 computation Reference Data From Materials Project: {formula:Ba3ZrRu2O9,spaceGroup:P6_3/mmc,id:mp-561170}
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RD_885052480783_000 computation Reference Data From Materials Project: {formula:Ba3PrRu2O9,spaceGroup:P6_3/mmc,id:mp-16821}
RD_885407519535_000 computation Reference Data From Materials Project: {formula:BaAl2O4,spaceGroup:P6_3,id:mp-4202}
RD_885421718767_000 computation Reference Data From Materials Project: {formula:BaH2Cl2O7,spaceGroup:C2/c,id:mp-24421}
RD_885467804307_000 computation Reference Data From Materials Project: {formula:Ba(AuF6)2,spaceGroup:Pm-3m,id:mp-558168}
RD_885501304858_000 computation Reference Data From Materials Project: {formula:BaPd2,spaceGroup:Fd-3m,id:mp-1687}
RD_885621151593_000 computation Reference Data From Materials Project: {formula:Ba3ErMn2O9,spaceGroup:P6_3/mmc,id:mp-566430}
RD_885881187473_000 computation Reference Data From Materials Project: {formula:YbBaCdSb2,spaceGroup:Cmc2_1,id:mp-865143}
RD_886111006890_000 computation Reference Data From Materials Project: {formula:Ba(Mo3S4)2,spaceGroup:R-3,id:mp-3835}
RD_886304214808_000 computation Reference Data From Materials Project: {formula:Ba3LaIn(WO6)2,spaceGroup:R3m,id:mp-705477}
RD_886445249696_000 computation Reference Data From Materials Project: {formula:Ba3NaBiO6,spaceGroup:C2/c,id:mp-643105}
RD_886801610208_000 computation Reference Data From Materials Project: {formula:Ba(AgS)2,spaceGroup:P-3m1,id:mp-8579}
RD_886875404597_000 computation Reference Data From Materials Project: {formula:Ba3FeN3,spaceGroup:P6_3/m,id:mp-8306}
RD_887112898742_000 computation Reference Data From Materials Project: {formula:Ba2HfS4,spaceGroup:I4/mmm,id:mp-9321}
RD_887156890026_000 computation Reference Data From Materials Project: {formula:Ba3Ho(BO3)3,spaceGroup:P6_3cm,id:mp-14384}
RD_887348937921_000 computation Reference Data From Materials Project: {formula:BaNb7O9,spaceGroup:P4/mmm,id:mp-505078}
RD_887559138552_000 computation Reference Data From Materials Project: {formula:Ba2ZnGe2S6O,spaceGroup:P-42_1m,id:mp-17244}
RD_887595074580_000 computation Reference Data From Materials Project: {formula:Ba3Ta2NiO9,spaceGroup:P-3m1,id:mp-32310}
RD_887757347078_000 computation Reference Data From Materials Project: {formula:Ba5Re3NO18,spaceGroup:P6_3cm,id:mp-555095}
RD_887820129915_000 computation Reference Data From Materials Project: {formula:BaMg2H8Os,spaceGroup:P4_2/mmc,id:mp-643439}
RD_887892290337_000 computation Reference Data From Materials Project: {formula:BaLaMgNbO6,spaceGroup:F-43m,id:mp-39288}
RD_888033785947_000 computation Reference Data From Materials Project: {formula:Ba2YC2(O2F)3,spaceGroup:Pcan,id:mp-8985}
RD_888268751968_000 computation Reference Data From Materials Project: {formula:BaYMnCoO5,spaceGroup:P4/nmm,id:mp-705450}
RD_888330928366_000 computation Reference Data From Materials Project: {formula:Ba6Si25,spaceGroup:P4_132,id:mp-16094}
RD_888756787974_000 computation Reference Data From Materials Project: {formula:BaLiAs,spaceGroup:P-6m2,id:mp-10616}
RD_888796026383_000 computation Reference Data From Materials Project: {formula:BaCeO3,spaceGroup:R-3c,id:mp-4900}
RD_889195712056_000 computation Reference Data From Materials Project: {formula:Ba2ErNbO6,spaceGroup:Fm-3m,id:mp-6653}
RD_889676263082_000 computation Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:Pbcn,id:mp-766352}
RD_890235796765_000 computation Reference Data From Materials Project: {formula:BaNb2Bi2O9,spaceGroup:Ccm2_1,id:mp-555867}
RD_890521313924_000 computation Reference Data From Materials Project: {formula:Ba3ZnIr2O9,spaceGroup:P6_3/mmc,id:mp-542939}
RD_890568199088_000 computation Reference Data From Materials Project: {formula:BaNb5O8,spaceGroup:P4/m,id:mp-761128}
RD_890914113661_000 computation Reference Data From Materials Project: {formula:Ba4Na(SbO4)3,spaceGroup:Im-3m,id:mp-6273}
RD_890953015538_000 computation Reference Data From Materials Project: {formula:Ba2Sr7I18,spaceGroup:P-1,id:mp-752682}
RD_891052262903_000 computation Reference Data From Materials Project: {formula:BaU2O7,spaceGroup:I4_1/amd,id:mp-27649}
RD_891218635980_000 computation Reference Data From Materials Project: {formula:Ba2Mn(BO2)6,spaceGroup:R-3,id:mp-18990}
RD_891311848844_000 computation Reference Data From Materials Project: {formula:BaLaCl5,spaceGroup:P2_1/c,id:mp-770271}
RD_891549434325_000 computation Reference Data From Materials Project: {formula:Ba3Ge4,spaceGroup:P4_2/mnm,id:mp-21596}
RD_891800046021_000 computation Reference Data From Materials Project: {formula:Ba8Sb6S17,spaceGroup:P2/c,id:mp-561455}
RD_892055043689_000 computation Reference Data From Materials Project: {formula:BaSi6,spaceGroup:Cmcm,id:mp-1480}
RD_892363520122_000 computation Reference Data From Materials Project: {formula:BaBiO3,spaceGroup:Fm-3m,id:mp-23438}
RD_893261118354_000 computation Reference Data From Materials Project: {formula:Ba(CrAs)2,spaceGroup:I4/mmm,id:mp-571339}
RD_893532321279_000 computation Reference Data From Materials Project: {formula:BaAlF5,spaceGroup:P2_12_12_1,id:mp-4376}
RD_894211754987_000 computation Reference Data From Materials Project: {formula:Ba3SrTa2O9,spaceGroup:P-3m1,id:mp-7980}
RD_894306627240_000 computation Reference Data From Materials Project: {formula:BaCaSiO4,spaceGroup:P6_3mc,id:mp-561050}
RD_894417048623_000 computation Reference Data From Materials Project: {formula:BaAlBO3F2,spaceGroup:P6_3/m,id:mp-10510}
RD_894594829480_000 computation Reference Data From Materials Project: {formula:BaCaRu2,spaceGroup:F-43m,id:mp-631512}
RD_895258079261_000 computation Reference Data From Materials Project: {formula:Ba2CaWO6,spaceGroup:Fm-3m,id:mp-18977}
RD_895285124427_000 computation Reference Data From Materials Project: {formula:Ba2CdPb,spaceGroup:Fm-3m,id:mp-867333}
RD_895287397939_000 computation Reference Data From Materials Project: {formula:KBa4Ti5O14F,spaceGroup:P4/mmm,id:mp-40677}
RD_895320696241_000 computation Reference Data From Materials Project: {formula:BaMo(PO4)2,spaceGroup:C2/m,id:mp-567167}
RD_895386741445_000 computation Reference Data From Materials Project: {formula:Ba2BiAu,spaceGroup:Fm-3m,id:mp-862947}
RD_895633159962_000 computation Reference Data From Materials Project: {formula:BaSiN2,spaceGroup:Cmce,id:mp-3777}
RD_895662194934_000 computation Reference Data From Materials Project: {formula:Ba3DyRu2O9,spaceGroup:P6_3/mmc,id:mp-541720}
RD_896187810339_000 computation Reference Data From Materials Project: {formula:Ba4Nd7Si12BN27,spaceGroup:P-6,id:mp-695553}
RD_896686551190_000 computation Reference Data From Materials Project: {formula:Ba3GeO,spaceGroup:Pbnm,id:mp-17833}
RD_897050312260_000 computation Reference Data From Materials Project: {formula:BaIF,spaceGroup:P4/nmm,id:mp-22951}
RD_897173747613_000 computation Reference Data From Materials Project: {formula:Ba3Tl2Cl2O5,spaceGroup:I4/mmm,id:mp-557692}
RD_897220941825_000 computation Reference Data From Materials Project: {formula:BaBeGa,spaceGroup:F-43m,id:mp-631517}
RD_897570617976_000 computation Reference Data From Materials Project: {formula:Ba6Li2Ti7(Sb3O14)3,spaceGroup:Cm,id:mp-772829}
RD_897648206269_000 computation Reference Data From Materials Project: {formula:Ba(TlHg)2,spaceGroup:P4_2/mnm,id:mp-3392}
RD_897742958114_000 computation Reference Data From Materials Project: {formula:BaRuO3,spaceGroup:P6_3/mmc,id:mp-3598}
RD_898053866322_000 computation Reference Data From Materials Project: {formula:Ba(AlSi)2,spaceGroup:Pmnb,id:mp-5506}
RD_898626533028_000 computation Reference Data From Materials Project: {formula:Ba3Cr2WO9,spaceGroup:P6_3/mmc,id:mp-559226}
RD_898735822963_000 computation Reference Data From Materials Project: {formula:BaO,spaceGroup:Fm-3m,id:mp-1342}
RD_898929231877_000 computation Reference Data From Materials Project: {formula:Ba2CoReO6,spaceGroup:Fm-3m,id:mp-558955}
RD_899063843577_000 computation Reference Data From Materials Project: {formula:Ba2Mg3Si4,spaceGroup:C2/m,id:mp-29564}
RD_899289357870_000 computation Reference Data From Materials Project: {formula:Ba2La3Si3O12F,spaceGroup:P1,id:mp-686674}
RD_899422341128_000 computation Reference Data From Materials Project: {formula:BaAl4,spaceGroup:I4/mmm,id:mp-1903}
RD_899433439198_000 computation Reference Data From Materials Project: {formula:Ba3Ga2(Ge2O7)2,spaceGroup:P321,id:mp-554139}
RD_899823375601_000 computation Reference Data From Materials Project: {formula:Ba2SmNbO6,spaceGroup:Fm-3m,id:mp-22184}
RD_900099990168_000 computation Reference Data From Materials Project: {formula:BaSm4Si3SeO12,spaceGroup:P6_3,id:mp-39866}
RD_900299242041_000 computation Reference Data From Materials Project: {formula:Ba2CdReO6,spaceGroup:Fm-3m,id:mp-551702}
RD_900485964327_000 computation Reference Data From Materials Project: {formula:Ba2Y5F19,spaceGroup:P2_1,id:mp-778072}
RD_901171206305_000 computation Reference Data From Materials Project: {formula:Ba6Li2Ti7Nb9O42,spaceGroup:Cm,id:mp-773084}
RD_901231261975_000 computation Reference Data From Materials Project: {formula:Ba2GdB2ClO6,spaceGroup:P2_1/m,id:mp-866304}
RD_901844668156_000 computation Reference Data From Materials Project: {formula:BaCeO3,spaceGroup:Pm-3m,id:mp-5663}
RD_902108316824_000 computation Reference Data From Materials Project: {formula:BaCoBP2HO9,spaceGroup:P-1,id:mp-25676}
RD_902249371508_000 computation Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:R3m,id:mp-5020}
RD_902302798775_000 computation Reference Data From Materials Project: {formula:BaFeCuF7,spaceGroup:Cc,id:mp-566157}
RD_902321591710_000 computation Reference Data From Materials Project: {formula:BaLi4O3,spaceGroup:Cmc2_1,id:mp-778878}
RD_902327645905_000 computation Reference Data From Materials Project: {formula:Ba2UCuO6,spaceGroup:I4/mmm,id:mp-9238}
RD_902540494610_000 computation Reference Data From Materials Project: {formula:BaEr2NiO5,spaceGroup:Immm,id:mp-19101}
RD_903085489519_000 computation Reference Data From Materials Project: {formula:Ba12Na15Li8N6,spaceGroup:R-3m,id:mp-567643}
RD_903525885676_000 computation Reference Data From Materials Project: {formula:Ba6Na16N,spaceGroup:Im-3m,id:mp-505213}
RD_905558774702_000 computation Reference Data From Materials Project: {formula:BaYCl5,spaceGroup:C2/c,id:mp-755083}
RD_905688746366_000 computation Reference Data From Materials Project: {formula:BaAl2B2O7,spaceGroup:R32,id:mp-9844}
RD_905743654176_000 computation Reference Data From Materials Project: {formula:Ba9Rh8O27,spaceGroup:P1,id:mp-772389}
RD_906104752184_000 computation Reference Data From Materials Project: {formula:Ba2YBr7,spaceGroup:Pnma,id:mp-768341}
RD_906424286377_000 computation Reference Data From Materials Project: {formula:BaMgSiO4,spaceGroup:P6_3,id:mp-560186}
RD_906719606561_000 computation Reference Data From Materials Project: {formula:Ba8Bi4H2O,spaceGroup:I4/mmm,id:mp-865213}
RD_907294292054_000 computation Reference Data From Materials Project: {formula:BaNd2NiO5,spaceGroup:Immm,id:mp-18763}
RD_907721406641_000 computation Reference Data From Materials Project: {formula:Ba2Ti13O22,spaceGroup:Cmce,id:mp-28917}
RD_907769776301_000 computation Reference Data From Materials Project: {formula:Ba2Nd2Fe4O11,spaceGroup:Cmmm,id:mp-704634}
RD_907770338612_000 computation Reference Data From Materials Project: {formula:BaH8PtC4(NO)4,spaceGroup:C2/c,id:mp-720842}
RD_907793090063_000 computation Reference Data From Materials Project: {formula:BaLaNiRuO6,spaceGroup:I-4,id:mp-622618}
RD_907921625276_000 computation Reference Data From Materials Project: {formula:Ba7Al10,spaceGroup:R-3m,id:mp-570400}
RD_908137024159_000 computation Reference Data From Materials Project: {formula:BaYF5,spaceGroup:C2/c,id:mp-757176}
RD_908431344787_000 computation Reference Data From Materials Project: {formula:BaTe2Mo2(HO6)2,spaceGroup:P2_12_12_1,id:mp-601830}
RD_908490737984_000 computation Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P2_1/c,id:mp-766332}
RD_908798773237_000 computation Reference Data From Materials Project: {formula:BaZnSi,spaceGroup:P6_3/mmc,id:mp-31147}
RD_908848524788_000 computation Reference Data From Materials Project: {formula:BaCaGe,spaceGroup:Pmnb,id:mp-16252}
RD_909033319275_000 computation Reference Data From Materials Project: {formula:YbBa2SbO6,spaceGroup:Fm-3m,id:mp-14223}
RD_909340222573_000 computation Reference Data From Materials Project: {formula:Ba8Nb6CoO24,spaceGroup:P-3m1,id:mp-640790}
RD_909417579922_000 computation Reference Data From Materials Project: {formula:Ba4P3,spaceGroup:Pmcb,id:mp-28823}
RD_909520896307_000 computation Reference Data From Materials Project: {formula:Ba6CaI14,spaceGroup:Cmce,id:mp-766330}
RD_909553798826_000 computation Reference Data From Materials Project: {formula:Ba4Cl6O,spaceGroup:P6_3mc,id:mp-23063}
RD_909649424774_000 computation Reference Data From Materials Project: {formula:BaSr2I6,spaceGroup:P-31m,id:mp-754212}
RD_909663745785_000 computation Reference Data From Materials Project: {formula:BaCu9Ge4,spaceGroup:I4/mcm,id:mp-11145}
RD_909885979483_000 computation Reference Data From Materials Project: {formula:BaSi23,spaceGroup:Pm-3n,id:mp-30185}
RD_910607597386_000 computation Reference Data From Materials Project: {formula:K2Ba3Sb4,spaceGroup:P1,id:mp-531968}
RD_910650027351_000 computation Reference Data From Materials Project: {formula:BaIn4,spaceGroup:I4/mmm,id:mp-22687}
RD_910803382615_000 computation Reference Data From Materials Project: {formula:BaCd2,spaceGroup:Imma,id:mp-11266}
RD_910805580397_000 computation Reference Data From Materials Project: {formula:BaInCo4O7,spaceGroup:P6_3mc,id:mp-25737}
RD_910893423743_000 computation Reference Data From Materials Project: {formula:Ba3Y2Br12,spaceGroup:C2/c,id:mp-768399}
RD_910945375229_000 computation Reference Data From Materials Project: {formula:Ba2Sc2O5,spaceGroup:C2/c,id:mp-755403}
RD_911070032103_000 computation Reference Data From Materials Project: {formula:Ba2PCl,spaceGroup:R-3m,id:mp-27869}
RD_911447127437_000 computation Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:Pbcn,id:mp-756624}
RD_911690407230_000 computation Reference Data From Materials Project: {formula:Ba3Te2O9,spaceGroup:P6_3/mmc,id:mp-17009}
RD_911721859018_000 computation Reference Data From Materials Project: {formula:BaFe2S3,spaceGroup:Ccmm,id:mp-22739}
RD_911922151233_000 computation Reference Data From Materials Project: {formula:BaTm2ZnO5,spaceGroup:Pmcn,id:mp-6250}
RD_912312371459_000 computation Reference Data From Materials Project: {formula:Ba2MnTe3,spaceGroup:Pmnb,id:mp-16905}
RD_912436416557_000 computation Reference Data From Materials Project: {formula:Ba3(LiAs)4,spaceGroup:Immm,id:mp-15753}
RD_912445750567_000 computation Reference Data From Materials Project: {formula:Ba2TaN3,spaceGroup:C2/c,id:mp-17400}
RD_912572787731_000 computation Reference Data From Materials Project: {formula:BaLaCl5,spaceGroup:P2_1/m,id:mp-753650}
RD_912578181608_000 computation Reference Data From Materials Project: {formula:BaBi12Mo4WO34,spaceGroup:P2/c,id:mp-582874}
RD_912636032173_000 computation Ba in AFLOW crystal prototype A_cI2_229_a (Body-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_912683807746_000 computation Reference Data From Materials Project: {formula:BaCeN2,spaceGroup:P6_3/mmc,id:mp-4887}
RD_913105859195_000 computation Reference Data From Materials Project: {formula:Ba2Tl(HO)7,spaceGroup:C2/c,id:mp-757586}
RD_913784711463_000 computation Reference Data From Materials Project: {formula:Ba2NdSbO6,spaceGroup:R-3,id:mp-6122}
RD_914717550470_000 computation Reference Data From Materials Project: {formula:BaTm2CuO5,spaceGroup:Pmcn,id:mp-22202}
RD_914832460687_000 computation Reference Data From Materials Project: {formula:Ba2Hf7O16,spaceGroup:R-3,id:mp-756180}
RD_914932206958_000 computation Reference Data From Materials Project: {formula:Ba(CuS)2,spaceGroup:I4/mmm,id:mp-4255}
RD_914966273661_000 computation Reference Data From Materials Project: {formula:Ba2LaCl7,spaceGroup:C2/c,id:mp-773953}
RD_915204461240_000 computation Reference Data From Materials Project: {formula:BaC10,spaceGroup:Im3,id:mp-18027}
RD_915305046084_000 computation Reference Data From Materials Project: {formula:BaTa4O11,spaceGroup:P6_322,id:mp-769399}
RD_915553937566_000 computation Reference Data From Materials Project: {formula:BaAlBO3F2,spaceGroup:P-62c,id:mp-558491}
RD_916473523080_000 computation Reference Data From Materials Project: {formula:BaH5BrO3,spaceGroup:P4/nmm,id:mp-642844}
RD_916492158406_000 computation Reference Data From Materials Project: {formula:BaNa6O4,spaceGroup:I-43m,id:mp-779453}
RD_916519410300_000 computation Reference Data From Materials Project: {formula:BaHg2Pb,spaceGroup:Fm-3m,id:mp-864618}
RD_916610701052_000 computation Reference Data From Materials Project: {formula:BaH2O3,spaceGroup:Pmc2_1,id:mp-642653}
RD_916620301107_000 computation Reference Data From Materials Project: {formula:Ba3MnNb2O9,spaceGroup:P-3m1,id:mp-638406}
RD_916689848127_000 computation Reference Data From Materials Project: {formula:Ba5P4,spaceGroup:Pnam,id:mp-17566}
RD_917210832607_000 computation Reference Data From Materials Project: {formula:Ba2YBr7,spaceGroup:P2_1/c,id:mp-768378}
RD_917400543695_000 computation Reference Data From Materials Project: {formula:BaYBr5,spaceGroup:P2_1/c,id:mp-768416}
RD_917617996569_000 computation Reference Data From Materials Project: {formula:Ba7Al64O103,spaceGroup:P-62m,id:mp-667379}
RD_918112184708_000 computation Reference Data From Materials Project: {formula:Ba3SiI2,spaceGroup:Fddd,id:mp-569842}
RD_918117176566_000 computation Reference Data From Materials Project: {formula:BaLaCuS3,spaceGroup:Pmnb,id:mp-18079}
RD_918399797572_000 computation Reference Data From Materials Project: {formula:BaYF5,spaceGroup:P2_1,id:mp-778102}
RD_918550376218_000 computation Reference Data From Materials Project: {formula:BaCoO2,spaceGroup:P3_121,id:mp-19086}
RD_918944952584_000 computation Reference Data From Materials Project: {formula:Ba6Cu34S27,spaceGroup:P1,id:mp-530144}
RD_918978725625_000 computation Reference Data From Materials Project: {formula:Ba4Bi3F17,spaceGroup:P1,id:mp-38357}
RD_919190204542_000 computation Reference Data From Materials Project: {formula:BaCO3,spaceGroup:P6_3/mmc,id:mp-545643}
RD_919785224125_000 computation Reference Data From Materials Project: {formula:RbBa4Sb3O,spaceGroup:I4/mcm,id:mp-559270}
RD_919860574396_000 computation Reference Data From Materials Project: {formula:Ba2YTaO6,spaceGroup:Fm-3m,id:mp-6613}
RD_920280044815_000 computation Reference Data From Materials Project: {formula:BaTeO3,spaceGroup:Pmcn,id:mp-556021}
RD_920580083875_000 computation Reference Data From Materials Project: {formula:Ba3As14,spaceGroup:P2_1/c,id:mp-524}
RD_920615706869_000 computation Reference Data From Materials Project: {formula:Ba2FeMoO6,spaceGroup:Fm-3m,id:mp-18995}
RD_920975539600_000 computation Reference Data From Materials Project: {formula:Ba2Si3O8,spaceGroup:P2_1,id:mp-553897}
RD_921210993492_000 computation Reference Data From Materials Project: {formula:BaV2(NiO4)2,spaceGroup:R-3,id:mp-18723}
RD_921232648958_000 computation Reference Data From Materials Project: {formula:BaBi2(B2O5)2,spaceGroup:P2_1/c,id:mp-560550}
RD_921271477206_000 computation Reference Data From Materials Project: {formula:Ba(MgSi)2,spaceGroup:I4/mmm,id:mp-7875}
RD_921292728271_000 computation Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:Pnna,id:mp-867676}
RD_922489502248_000 computation Reference Data From Materials Project: {formula:Ba5CrN5,spaceGroup:C2/m,id:mp-29082}
RD_923607686601_000 computation Reference Data From Materials Project: {formula:Ba9Nb10O30,spaceGroup:P-1,id:mp-33581}
RD_923779373021_000 computation Reference Data From Materials Project: {formula:Ba6CaI14,spaceGroup:Ccme,id:mp-766337}
RD_924671128956_000 computation Reference Data From Materials Project: {formula:BaCoP2O7,spaceGroup:P-1,id:mp-19278}
RD_924940167063_000 computation Reference Data From Materials Project: {formula:BaU(SeO4)2,spaceGroup:P2_1/c,id:mp-683942}
RD_925195729112_000 computation Reference Data From Materials Project: {formula:BaTi2(P2O7)2,spaceGroup:C2/c,id:mp-17997}
RD_925210730828_000 computation Reference Data From Materials Project: {formula:Ba2NdMoO6,spaceGroup:Fm-3m,id:mp-18904}
RD_925274285007_000 computation Reference Data From Materials Project: {formula:BaHI,spaceGroup:P4/nmm,id:mp-23862}
RD_925587465132_000 computation Reference Data From Materials Project: {formula:BaLaI5,spaceGroup:C2/c,id:mp-756509}
RD_926053911142_000 computation Reference Data From Materials Project: {formula:BaGe3Pt,spaceGroup:I4mm,id:mp-22346}
RD_926469436811_000 computation Reference Data From Materials Project: {formula:BaH6C4O7,spaceGroup:P-1,id:mp-723120}
RD_926587014688_000 computation Reference Data From Materials Project: {formula:BaLaCl5,spaceGroup:P-1,id:mp-772064}
RD_926785090014_000 computation Reference Data From Materials Project: {formula:Ba3(SiAs2)2,spaceGroup:C2/c,id:mp-11692}
RD_927306133657_000 computation Reference Data From Materials Project: {formula:EuBa2NbO6,spaceGroup:Fm-3m,id:mp-22279}
RD_927663099370_000 computation Reference Data From Materials Project: {formula:BaH2I2O7,spaceGroup:C2/c,id:mp-24510}
RD_928843063390_000 computation Reference Data From Materials Project: {formula:BaSnHgS4,spaceGroup:Cc2m,id:mp-555954}
RD_928966198956_000 computation Reference Data From Materials Project: {formula:BaV(AsO4)2,spaceGroup:P2_1/c,id:mp-566358}
RD_929427846205_000 computation Reference Data From Materials Project: {formula:Ba10Pr5Nb(Sn2O15)2,spaceGroup:P-1,id:mp-691043}
RD_929494395809_000 computation Reference Data From Materials Project: {formula:K4Ba2N7O16,spaceGroup:C2/m,id:mp-695895}
RD_929617779663_000 computation Reference Data From Materials Project: {formula:Ba2NbO,spaceGroup:Fm-3m,id:mp-34023}
RD_929753840367_000 computation Reference Data From Materials Project: {formula:Ba3Lu2Zn5O11,spaceGroup:F-43m,id:mp-554066}
RD_930262273125_000 computation Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:P-62m,id:mp-760418}
RD_930294243748_000 computation Reference Data From Materials Project: {formula:BaCr10O15,spaceGroup:Cmce,id:mp-19500}
RD_930627439270_000 computation Reference Data From Materials Project: {formula:Ba3La7Mn2(Co4O15)2,spaceGroup:P2/m,id:mp-694945}
RD_931241721688_000 computation Reference Data From Materials Project: {formula:Ba8LiTa7O24,spaceGroup:P3m1,id:mp-772523}
RD_931308675524_000 computation Reference Data From Materials Project: {formula:BaTa2O6,spaceGroup:P6/mmm,id:mp-561103}
RD_931509612221_000 computation Reference Data From Materials Project: {formula:BaBePO4F,spaceGroup:Cc,id:mp-754604}
RD_931556793367_000 computation Reference Data From Materials Project: {formula:BaY3Cl11,spaceGroup:P2_12_12_1,id:mp-768974}
RD_931668060821_000 computation Reference Data From Materials Project: {formula:Ba2Ho(CuO2)3,spaceGroup:P4/mmm,id:mp-616166}
RD_932351014892_000 computation Reference Data From Materials Project: {formula:Ba4NbP4(O9F)2,spaceGroup:P-1,id:mp-695140}
RD_932593719745_000 computation Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P321,id:mp-867953}
RD_932721634570_000 computation Reference Data From Materials Project: {formula:BaV6O11,spaceGroup:Cmcm,id:mp-610232}
RD_933436103343_000 computation Reference Data From Materials Project: {formula:Ba4Sm2Cu2O9,spaceGroup:P-4n2,id:mp-636383}
RD_934100337905_000 computation Reference Data From Materials Project: {formula:Ba4LiNb3O12,spaceGroup:Pmcn,id:mp-774715}
RD_934549416474_000 computation Reference Data From Materials Project: {formula:Ba(MgAs)2,spaceGroup:P-3m1,id:mp-8280}
RD_935225370180_000 computation Reference Data From Materials Project: {formula:Ba2LaReO6,spaceGroup:Fm-3m,id:mp-20958}
RD_935383077062_000 computation Reference Data From Materials Project: {formula:BaSbTe3,spaceGroup:P2_12_12_1,id:mp-18291}
RD_935489616007_000 computation Reference Data From Materials Project: {formula:Ba5Ru2Br2O9,spaceGroup:P6_3/mmc,id:mp-558725}
RD_936261969927_000 computation Reference Data From Materials Project: {formula:Ba2Co(PO4)2,spaceGroup:P2_1/c,id:mp-505731}
RD_936390815477_000 computation Reference Data From Materials Project: {formula:BaTe,spaceGroup:Pm-3m,id:mp-2600}
RD_936569681237_000 computation Reference Data From Materials Project: {formula:Tb2Ba2Co4O11,spaceGroup:Pmmm,id:mp-24883}
RD_936709166111_000 computation Reference Data From Materials Project: {formula:Ba2ZnF6,spaceGroup:I4/mmm,id:mp-7739}
RD_936850360038_000 computation Reference Data From Materials Project: {formula:Ba2Si3Ni,spaceGroup:P-62m,id:mp-29819}
RD_936996573146_000 computation Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:P-31m,id:mp-754196}
RD_937083618074_000 computation Reference Data From Materials Project: {formula:BaLaCl5,spaceGroup:P2_1,id:mp-770427}
RD_937317601791_000 computation Reference Data From Materials Project: {formula:Ba2SnHg,spaceGroup:Fm-3m,id:mp-867912}
RD_937535131922_000 computation Reference Data From Materials Project: {formula:BaBAsO5,spaceGroup:P3_121,id:mp-9784}
RD_938087395483_000 computation Reference Data From Materials Project: {formula:Ba4Si23,spaceGroup:Pm-3n,id:mp-640551}
RD_938534088104_000 computation Reference Data From Materials Project: {formula:Ba14Na11Li5N6,spaceGroup:F-43m,id:mp-645700}
RD_938842095831_000 computation Reference Data From Materials Project: {formula:Ba16S16O59,spaceGroup:P1,id:mp-760205}
RD_938887363640_000 computation Reference Data From Materials Project: {formula:Ba3WO6,spaceGroup:Fm-3m,id:mp-25172}
RD_939340548206_000 computation Reference Data From Materials Project: {formula:BaAl3P2(HO7)2,spaceGroup:C2/m,id:mp-696776}
RD_939444881914_000 computation Reference Data From Materials Project: {formula:Ba2Al4Si6H14O27,spaceGroup:P1,id:mp-691076}
RD_939704593443_000 computation Reference Data From Materials Project: {formula:BaPt,spaceGroup:P6_3/mmc,id:mp-31498}
RD_939745216125_000 computation Reference Data From Materials Project: {formula:Ba6Na2P2Ru2O17,spaceGroup:P6_3/mmc,id:mp-774691}
RD_939771926791_000 computation Reference Data From Materials Project: {formula:BaV2O6,spaceGroup:C222,id:mp-18929}
RD_940107610388_000 computation Reference Data From Materials Project: {formula:Ba4Li(SbO4)3,spaceGroup:Im-3m,id:mp-7971}
RD_940422818400_000 computation Reference Data From Materials Project: {formula:BaV3O8,spaceGroup:P2_1/m,id:mp-32499}
RD_940577620932_000 computation Reference Data From Materials Project: {formula:Ba20Y10Cu(Ru3O20)3,spaceGroup:P2/m,id:mp-686442}
RD_940851908684_000 computation Reference Data From Materials Project: {formula:Ba5Si(Cl3O2)2,spaceGroup:C2/c,id:mp-555087}
RD_941013349900_000 computation Reference Data From Materials Project: {formula:BaFe12O19,spaceGroup:P6_3/mmc,id:mp-565581}
RD_941077541438_000 computation Reference Data From Materials Project: {formula:Ba3Ga4O9,spaceGroup:P-1,id:mp-771132}
RD_941104306566_000 computation Reference Data From Materials Project: {formula:Ba3(GaN2)2,spaceGroup:Pnan,id:mp-18297}
RD_941433856502_000 computation Reference Data From Materials Project: {formula:Ba3As2H14S8O7,spaceGroup:P2_1/c,id:mp-722774}
RD_941498256509_000 computation Reference Data From Materials Project: {formula:Ba3Nb2O8,spaceGroup:R-3m,id:mp-542201}
RD_941557572938_000 computation Reference Data From Materials Project: {formula:Ba3Tm(BO3)3,spaceGroup:P6_3cm,id:mp-14385}
RD_941683989975_000 computation Reference Data From Materials Project: {formula:Ba4Nb14O23,spaceGroup:Cmmm,id:mp-4564}
RD_941736551240_000 computation Reference Data From Materials Project: {formula:BaH4(CO2)3,spaceGroup:I-4,id:mp-698325}
RD_941830723953_000 computation Reference Data From Materials Project: {formula:BaSrI4,spaceGroup:Cmc2_1,id:mp-756098}
RD_941984636601_000 computation Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P2_1/c,id:mp-756725}
RD_942368903502_000 computation Reference Data From Materials Project: {formula:Ba2NbCrO6,spaceGroup:P6_3/mmc,id:mp-619488}
RD_942817650792_000 computation Reference Data From Materials Project: {formula:Ba2SnSe3F2,spaceGroup:Pnam,id:mp-17805}
RD_942976474190_000 computation Reference Data From Materials Project: {formula:Ba6NaCu3Te14,spaceGroup:P6_3/mcm,id:mp-569168}
RD_943055860991_000 computation Reference Data From Materials Project: {formula:Ba(GaS2)2,spaceGroup:Pa3,id:mp-849286}
RD_943086778031_000 computation Ba in AFLOW crystal prototype A_cI2_229_a (Body-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_943496041283_000 computation Reference Data From Materials Project: {formula:Ba2CaTlCu2O7,spaceGroup:P4/mmm,id:mp-632802}
RD_943538861430_000 computation Reference Data From Materials Project: {formula:KBaFe2(PO4)3,spaceGroup:P2_13,id:mp-743573}
RD_943686514262_000 computation Reference Data From Materials Project: {formula:Ba5P5I3,spaceGroup:C2/m,id:mp-30221}
RD_944095126172_000 computation Reference Data From Materials Project: {formula:Ba2Zr6BCl17,spaceGroup:I4/m,id:mp-568105}
RD_945079752231_000 computation Reference Data From Materials Project: {formula:BaNaP,spaceGroup:P-62m,id:mp-9732}
RD_945552750376_000 computation Reference Data From Materials Project: {formula:Ba3MgSb2O9,spaceGroup:P6_3/mmc,id:mp-16978}
RD_945924909004_000 computation Reference Data From Materials Project: {formula:Ba(CdP)2,spaceGroup:P-3m1,id:mp-8279}
RD_946236192872_000 computation Reference Data From Materials Project: {formula:BaC2S2(OF)6,spaceGroup:C2/c,id:mp-638469}
RD_946437947697_000 computation Reference Data From Materials Project: {formula:Ba2NbN3,spaceGroup:C2/c,id:mp-17024}
RD_946453853970_000 computation Reference Data From Materials Project: {formula:BaLiP,spaceGroup:P-6m2,id:mp-10615}
RD_946518418893_000 computation Reference Data From Materials Project: {formula:Ba2ZrF8,spaceGroup:Pmnb,id:mp-5900}
RD_946532814837_000 computation Reference Data From Materials Project: {formula:BaGaBO3F2,spaceGroup:P6_3/m,id:mp-10509}
RD_946639117033_000 computation Reference Data From Materials Project: {formula:Ba6V4S11O5,spaceGroup:Pcmn,id:mp-583417}
RD_947765013357_000 computation Reference Data From Materials Project: {formula:Ba2NiWO6,spaceGroup:Fm-3m,id:mp-504723}
RD_947816172100_000 computation Reference Data From Materials Project: {formula:Ba3HoUFeO9,spaceGroup:P3m1,id:mp-694975}
RD_947921178390_000 computation Reference Data From Materials Project: {formula:Ba3NaRuO6,spaceGroup:R-3c,id:mp-9745}
RD_948379695757_000 computation Reference Data From Materials Project: {formula:BaCdSb2,spaceGroup:I4/mmm,id:mp-30040}
RD_948984408716_000 computation Reference Data From Materials Project: {formula:BaAlGe,spaceGroup:P-6m2,id:mp-13272}
RD_949814230839_000 computation Reference Data From Materials Project: {formula:Ba2ScIrO6,spaceGroup:Fm-3m,id:mp-10302}
RD_950155899660_000 computation Reference Data From Materials Project: {formula:Ba3La2Cl12,spaceGroup:C2/c,id:mp-771944}
RD_950294095547_000 computation Reference Data From Materials Project: {formula:BaLu2O4,spaceGroup:Cmcm,id:mp-780535}
RD_950895223944_000 computation Reference Data From Materials Project: {formula:Ba2FeMoO6,spaceGroup:Fm-3m,id:mp-18995}
RD_951094101596_000 computation Reference Data From Materials Project: {formula:BaLi2SiO4,spaceGroup:P6_3cm,id:mp-558310}
RD_951684153173_000 computation Reference Data From Materials Project: {formula:Ba8LiNb7O24,spaceGroup:P3m1,id:mp-773072}
RD_951830257325_000 computation Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:Cm,id:mp-766325}
RD_951956294422_000 computation Reference Data From Materials Project: {formula:Ba3SrI8,spaceGroup:I4/mmm,id:mp-756235}
RD_951971141988_000 computation Reference Data From Materials Project: {formula:Tb2BaNiO5,spaceGroup:Immm,id:mp-19312}
RD_951982747979_000 computation Reference Data From Materials Project: {formula:YbBa2SbO6,spaceGroup:Fm-3m,id:mp-14223}
RD_952289435367_000 computation Reference Data From Materials Project: {formula:Ba2Ce3Si3O12F,spaceGroup:P6_3,id:mp-42307}
RD_952644059424_000 computation Reference Data From Materials Project: {formula:BaNb2O6,spaceGroup:P2_1/c,id:mp-28150}
RD_952955954334_000 computation Reference Data From Materials Project: {formula:BaLiBO3,spaceGroup:P2_1/c,id:mp-6499}
RD_953001953205_000 computation Reference Data From Materials Project: {formula:Ba3WO6,spaceGroup:Fm-3m,id:mp-25172}
RD_953142261231_000 computation Reference Data From Materials Project: {formula:Ba2LuSbO6,spaceGroup:Fm-3m,id:mp-647903}
RD_953302689232_000 computation Reference Data From Materials Project: {formula:Ba2MgUO6,spaceGroup:Fm-3m,id:mp-13811}
RD_953424456898_000 computation Reference Data From Materials Project: {formula:EuBa6(ClF6)2,spaceGroup:P-6,id:mp-556702}
RD_953500389394_000 computation Reference Data From Materials Project: {formula:BaNiO3,spaceGroup:P6_3/mmc,id:mp-19138}
RD_954269020099_000 computation Reference Data From Materials Project: {formula:Ba2CaOsO6,spaceGroup:Fm-3m,id:mp-6739}
RD_954909683212_000 computation Reference Data From Materials Project: {formula:BaDy2NiO5,spaceGroup:Immm,id:mp-19416}
RD_955444285305_000 computation Reference Data From Materials Project: {formula:BaO,spaceGroup:Fm-3m,id:mp-1342}
RD_955512017908_000 computation Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P2_1/c,id:mp-766288}
RD_955543387426_000 computation Reference Data From Materials Project: {formula:BaV4O9,spaceGroup:P2/c,id:mp-18910}
RD_955638078344_000 computation Reference Data From Materials Project: {formula:Ba4UCr2S9,spaceGroup:P321,id:mp-21686}
RD_955912401125_000 computation Reference Data From Materials Project: {formula:Ba2UCuO6,spaceGroup:I4/mmm,id:mp-22272}
RD_956669951096_000 computation Reference Data From Materials Project: {formula:BaB2H10O9,spaceGroup:P2_1/c,id:mp-720267}
RD_956698178247_000 computation Reference Data From Materials Project: {formula:BaCdP2O7,spaceGroup:P-1,id:mp-6695}
RD_957044553002_000 computation Reference Data From Materials Project: {formula:Ba2Cu(BO3)2,spaceGroup:Pnma,id:mp-559180}
RD_958269773666_000 computation Reference Data From Materials Project: {formula:BaSm2PdO5,spaceGroup:P4/mbm,id:mp-8515}
RD_958311454905_000 computation Reference Data From Materials Project: {formula:BaV8O21,spaceGroup:P-1,id:mp-767913}
RD_958761656031_000 computation Reference Data From Materials Project: {formula:Ba(InSe2)2,spaceGroup:Fddd,id:mp-21766}
RD_958815170164_000 computation Reference Data From Materials Project: {formula:Ba3Mg(SiO4)2,spaceGroup:P-3,id:mp-556703}
RD_959000731780_000 computation Reference Data From Materials Project: {formula:Ba3CaRu2O9,spaceGroup:P6_3/mmc,id:mp-6443}
RD_959057218112_000 computation Reference Data From Materials Project: {formula:BaFe(Si2O5)2,spaceGroup:P4/nmm,id:mp-603263}
RD_959339092567_000 computation Reference Data From Materials Project: {formula:Ba2LaTaO6,spaceGroup:R-3,id:mp-13056}
RD_959737686273_000 computation Reference Data From Materials Project: {formula:Ba2CaCr2CuF14,spaceGroup:C2/c,id:mp-641162}
RD_959738331311_000 computation Reference Data From Materials Project: {formula:Ba3Si23,spaceGroup:Pm-3n,id:mp-30186}
RD_959852249423_000 computation Reference Data From Materials Project: {formula:Ba8Mn8O21,spaceGroup:Pm,id:mp-694888}
RD_959935693434_000 computation Reference Data From Materials Project: {formula:Ba2CaIrO6,spaceGroup:Fm-3m,id:mp-20841}
RD_960392734803_000 computation Reference Data From Materials Project: {formula:Ba2InO3F,spaceGroup:P4/nmm,id:mp-19956}
RD_960488964933_000 computation Reference Data From Materials Project: {formula:Ba4(PtO3)3,spaceGroup:P1,id:mp-867627}
RD_960569664976_000 computation Reference Data From Materials Project: {formula:Ba2Mn(PO4)2,spaceGroup:P2_1/c,id:mp-19487}
RD_960648062635_000 computation Reference Data From Materials Project: {formula:Ba5Mg18Si13,spaceGroup:P-62m,id:mp-5080}
RD_960912112022_000 computation Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:P2/c,id:mp-753809}
RD_960924589923_000 computation Reference Data From Materials Project: {formula:BaCO3,spaceGroup:P2_1,id:mp-762225}
RD_960977964267_000 computation Reference Data From Materials Project: {formula:Ba2Zn(BO3)2,spaceGroup:Pc2_1b,id:mp-559138}
RD_961313822489_000 computation Reference Data From Materials Project: {formula:Ba2YI7,spaceGroup:P2_1/c,id:mp-776442}
RD_961424930099_000 computation Reference Data From Materials Project: {formula:Ba2ErSbO6,spaceGroup:Fm-3m,id:mp-6231}
RD_962130523653_000 computation Reference Data From Materials Project: {formula:Ba2BN2Cl,spaceGroup:I4_132,id:mp-568923}
RD_962175341909_000 computation Reference Data From Materials Project: {formula:Ba2Tl2O5,spaceGroup:Pnam,id:mp-18327}
RD_962493657988_000 computation Reference Data From Materials Project: {formula:Ba5Pb3,spaceGroup:I4/mcm,id:mp-622106}
RD_963271514625_000 computation Reference Data From Materials Project: {formula:Ba2In13Ir4,spaceGroup:Ccm2_1,id:mp-684013}
RD_963355478182_000 computation Reference Data From Materials Project: {formula:BaCoF4,spaceGroup:Ccm2_1,id:mp-557291}
RD_963496791222_000 computation Reference Data From Materials Project: {formula:Ba2LaNbO6,spaceGroup:C2/m,id:mp-553281}
RD_963762922364_000 computation Reference Data From Materials Project: {formula:Ba3(PS4)2,spaceGroup:P-3m1,id:mp-561443}
RD_964116185896_000 computation Reference Data From Materials Project: {formula:BaRe2Sn,spaceGroup:F-43m,id:mp-631703}
RD_964123688297_000 computation Reference Data From Materials Project: {formula:Ba2YI7,spaceGroup:Pnma,id:mp-775932}
RD_964223639103_000 computation Reference Data From Materials Project: {formula:BaGa12O19,spaceGroup:P6_3mc,id:mp-850536}
RD_964224570601_000 computation Reference Data From Materials Project: {formula:BaZn5,spaceGroup:Cmcm,id:mp-303}
RD_964448076172_000 computation Reference Data From Materials Project: {formula:BaNa3PCO7,spaceGroup:P2_1,id:mp-771331}
RD_964479954257_000 computation Reference Data From Materials Project: {formula:Ba3(BO3)2,spaceGroup:Pnnm,id:mp-779608}
RD_964660805652_000 computation Reference Data From Materials Project: {formula:Ba2YRuO6,spaceGroup:Fm-3m,id:mp-6428}
RD_965244376586_000 computation Reference Data From Materials Project: {formula:Ba4Ga2S7,spaceGroup:P2_1/m,id:mp-29301}
RD_965477166519_000 computation Reference Data From Materials Project: {formula:Ba2DySbO6,spaceGroup:Fm-3m,id:mp-6192}
RD_965479494882_000 computation Reference Data From Materials Project: {formula:Ba3CuP2Br3O7,spaceGroup:P1,id:mp-703291}
RD_965609599936_000 computation Reference Data From Materials Project: {formula:Ba2CePtO6,spaceGroup:Fm-3m,id:mp-21879}
RD_965781220549_000 computation Reference Data From Materials Project: {formula:Ba3Zr2S7,spaceGroup:Cccm,id:mp-554172}
RD_966193936733_000 computation Reference Data From Materials Project: {formula:Ba3Ta5O15,spaceGroup:P4/mbm,id:mp-15021}
RD_966283748937_000 computation Reference Data From Materials Project: {formula:Ba(AsPd)2,spaceGroup:P4/mmm,id:mp-8237}
RD_967820550297_000 computation Reference Data From Materials Project: {formula:Ba4Al2O7,spaceGroup:Ccme,id:mp-560978}
RD_967995069468_000 computation Reference Data From Materials Project: {formula:BaLa2Cl8,spaceGroup:C2/c,id:mp-772886}
RD_968337956435_000 computation Reference Data From Materials Project: {formula:BaZn13,spaceGroup:Fm-3c,id:mp-672225}
RD_969098527467_000 computation Reference Data From Materials Project: {formula:Ba2HoCu3O7,spaceGroup:Pmmm,id:mp-6616}
RD_969471790586_000 computation Reference Data From Materials Project: {formula:Ba(MnSb)2,spaceGroup:I4/mmm,id:mp-567240}
RD_969506361412_000 computation Reference Data From Materials Project: {formula:Tb2Ba4Cd3S10,spaceGroup:Cmc2_1,id:mp-17513}
RD_970563699088_000 computation Reference Data From Materials Project: {formula:YbBa2RuO6,spaceGroup:Fm-3m,id:mp-12730}
RD_970603953585_000 computation Reference Data From Materials Project: {formula:Ba3Mg(SiO4)2,spaceGroup:P-3,id:mp-556703}
RD_970615578565_000 computation Reference Data From Materials Project: {formula:Ba(FeS2)2,spaceGroup:I4/m,id:mp-27660}
RD_970755936938_000 computation Reference Data From Materials Project: {formula:Ba4LaGe3SbSe13,spaceGroup:P2_1/c,id:mp-683936}
RD_970789766040_000 computation Reference Data From Materials Project: {formula:BaAlSiH,spaceGroup:P3m1,id:mp-571093}
RD_971034950953_000 computation Reference Data From Materials Project: {formula:Ba4Na(BN2)3,spaceGroup:Im-3m,id:mp-9705}
RD_971454985023_000 computation Reference Data From Materials Project: {formula:BaFeF5,spaceGroup:P2_1/c,id:mp-561191}
RD_971707318367_000 computation Reference Data From Materials Project: {formula:BaSiTc2,spaceGroup:F-43m,id:mp-631504}
RD_971788457973_000 computation Reference Data From Materials Project: {formula:Ba(AsRh)2,spaceGroup:I4/mmm,id:mp-568113}
RD_972437584045_000 computation Reference Data From Materials Project: {formula:Ba2SrWO6,spaceGroup:R-3,id:mp-19078}
RD_972456159218_000 computation Reference Data From Materials Project: {formula:Ba2GaGeN,spaceGroup:P2_1/m,id:mp-570245}
RD_972689125253_000 computation Reference Data From Materials Project: {formula:Ba6Nb2Ir(ClO6)2,spaceGroup:P-3m1,id:mp-558113}
RD_973056115357_000 computation Reference Data From Materials Project: {formula:BaLuCo4O7,spaceGroup:P6_3mc,id:mp-19624}
RD_973369393891_000 computation Reference Data From Materials Project: {formula:BaCa2(PN2)6,spaceGroup:Pa3,id:mp-6404}
RD_973823294527_000 computation Reference Data From Materials Project: {formula:Ba19(InN)9,spaceGroup:P1,id:mp-684007}
RD_974908786164_000 computation Reference Data From Materials Project: {formula:BaY2O4,spaceGroup:Pmnb,id:mp-3952}
RD_975700315485_000 computation Reference Data From Materials Project: {formula:Ba4Nd4Zn3PtO15,spaceGroup:P6_3mc,id:mp-9837}
RD_976003404574_000 computation Reference Data From Materials Project: {formula:Ba2LaCl7,spaceGroup:P2_1/c,id:mp-771963}
RD_976153279541_000 computation Reference Data From Materials Project: {formula:BaBi3,spaceGroup:Pm-3m,id:mp-23201}
RD_976163857627_000 computation Reference Data From Materials Project: {formula:Ba(MnGe)2,spaceGroup:I4/mmm,id:mp-22412}
RD_976227360433_000 computation Reference Data From Materials Project: {formula:Ba(InTe2)2,spaceGroup:I422,id:mp-33985}
RD_976319099222_000 computation Reference Data From Materials Project: {formula:Ba2Tm(CuO2)4,spaceGroup:Cmmm,id:mp-6710}
RD_976336980293_000 computation Reference Data From Materials Project: {formula:Ba2I2O,spaceGroup:Imcb,id:mp-551835}
RD_976365411448_000 computation Reference Data From Materials Project: {formula:Ba2Mn3(SbO)2,spaceGroup:I4/mmm,id:mp-18787}
RD_976408328998_000 computation Reference Data From Materials Project: {formula:Ba4NdMn3O12,spaceGroup:R-3m,id:mp-565816}
RD_977377222596_000 computation Reference Data From Materials Project: {formula:Ba7Na5Li3N3,spaceGroup:F-43m,id:mp-567157}
RD_977440225181_000 computation Reference Data From Materials Project: {formula:Ba3Sb2O,spaceGroup:Pmcb,id:mp-29911}
RD_978032806519_000 computation Reference Data From Materials Project: {formula:BaCo2(PO4)2,spaceGroup:R-3,id:mp-19021}
RD_978101002841_000 computation Reference Data From Materials Project: {formula:Ba3La2C5O15F2,spaceGroup:C2/m,id:mp-581361}
RD_979196130755_000 computation Reference Data From Materials Project: {formula:BaHo2CuO5,spaceGroup:Pmcn,id:mp-17878}
RD_979235397692_000 computation Reference Data From Materials Project: {formula:BaY4Cl14,spaceGroup:P2_12_12_1,id:mp-769070}
RD_979684674005_000 computation Reference Data From Materials Project: {formula:BaCuPClO4,spaceGroup:P2_12_12_1,id:mp-556604}
RD_980558205773_000 computation Reference Data From Materials Project: {formula:BaH4O3,spaceGroup:P2_1,id:mp-626720}
RD_980775739924_000 computation Reference Data From Materials Project: {formula:BaMg2H8Ru,spaceGroup:P4_2/mmc,id:mp-643451}
RD_980912018191_000 computation Reference Data From Materials Project: {formula:Ba4Na(BiO4)3,spaceGroup:Im-3m,id:mp-559352}
RD_980963622337_000 computation Reference Data From Materials Project: {formula:Ba2YBr7,spaceGroup:P2_1,id:mp-768373}
RD_981613051239_000 computation Reference Data From Materials Project: {formula:Ba3MgTa2O9,spaceGroup:P-3m1,id:mp-6325}
RD_982911211482_000 computation Reference Data From Materials Project: {formula:BaYI5,spaceGroup:P2_1/c,id:mp-772077}
RD_982913534591_000 computation Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P-31m,id:mp-757074}
RD_983060051671_000 computation Reference Data From Materials Project: {formula:BaLaZnRuO6,spaceGroup:I-4,id:mp-677191}
RD_983453565834_000 computation Reference Data From Materials Project: {formula:BaBPO5,spaceGroup:P3_221,id:mp-6040}
RD_983609913561_000 computation Reference Data From Materials Project: {formula:Ba2CoO4,spaceGroup:P2_1/c,id:mp-19625}
RD_983670321139_000 computation Reference Data From Materials Project: {formula:Ba2Y(CuO2)4,spaceGroup:Cmmm,id:mp-6789}
RD_983788778737_000 computation Reference Data From Materials Project: {formula:BaNi9P5,spaceGroup:P6_3/mmc,id:mp-3202}
RD_984250908441_000 computation Reference Data From Materials Project: {formula:Ba2Ga6O11,spaceGroup:Pnnm,id:mp-778485}
RD_984551527472_000 computation Reference Data From Materials Project: {formula:Ba21Ge2O5,spaceGroup:Fd-3m,id:mp-559274}
RD_984881229670_000 computation Reference Data From Materials Project: {formula:BaWO4,spaceGroup:I4_1/a,id:mp-19048}
RD_985756967240_000 computation Reference Data From Materials Project: {formula:KBa3Ca4V7Cu3O28,spaceGroup:P6_3mc,id:mp-567061}
RD_985886448012_000 computation Reference Data From Materials Project: {formula:Ba(CuS)2,spaceGroup:Pmnb,id:mp-5970}
RD_986246097033_000 computation Reference Data From Materials Project: {formula:Ba2Co2ClF7,spaceGroup:P2_1/m,id:mp-567145}
RD_986621267075_000 computation Reference Data From Materials Project: {formula:BaTaO3,spaceGroup:Pm-3m,id:mp-754678}
RD_987106823362_000 computation Reference Data From Materials Project: {formula:BaPbO3,spaceGroup:Pm-3m,id:mp-21280}
RD_987131787332_000 computation Reference Data From Materials Project: {formula:BaLa2ZnO5,spaceGroup:I4/mcm,id:mp-6793}
RD_987400618760_000 computation Reference Data From Materials Project: {formula:BaTaS3,spaceGroup:P6_3/mmc,id:mp-4001}
RD_987775630347_000 computation Reference Data From Materials Project: {formula:Ba5(RuO5)2,spaceGroup:P6_3/mmc,id:mp-28908}
RD_987925024468_000 computation Reference Data From Materials Project: {formula:BaSnF6,spaceGroup:R-3,id:mp-8290}
RD_988067128289_000 computation Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:C2/c,id:mp-753351}
RD_988299182928_000 computation Reference Data From Materials Project: {formula:Ba2FeO4,spaceGroup:P2_1/c,id:mp-561699}
RD_988667739538_000 computation Reference Data From Materials Project: {formula:Ba6Na2Si4O15,spaceGroup:P2_1/c,id:mp-560889}
RD_988809475248_000 computation Reference Data From Materials Project: {formula:Ba2Ga2S5,spaceGroup:C2/c,id:mp-18421}
RD_988900312380_000 computation Reference Data From Materials Project: {formula:BaNa4Ti2Si10(BO15)2,spaceGroup:P-1,id:mp-684696}
RD_989233270858_000 computation Reference Data From Materials Project: {formula:BaLaI5,spaceGroup:P2_1/c,id:mp-772219}
RD_989721674471_000 computation Reference Data From Materials Project: {formula:Ba2Mg3F10,spaceGroup:C2/m,id:mp-541162}
RD_989922724536_000 computation Reference Data From Materials Project: {formula:Ba7Al13,spaceGroup:P-3m1,id:mp-1952}
RD_990076246077_000 computation Reference Data From Materials Project: {formula:CsBaIn2(PO4)3,spaceGroup:P2_13,id:mp-532541}
RD_990119643727_000 computation Reference Data From Materials Project: {formula:YbBa3Ru2O9,spaceGroup:P6_3/mmc,id:mp-541743}
RD_990320520200_000 computation Reference Data From Materials Project: {formula:Ba3Al2Cu2F16,spaceGroup:P2_1,id:mp-556036}
RD_990368386721_000 computation Reference Data From Materials Project: {formula:Ba2LaTa(CuO4)2,spaceGroup:P4/mmm,id:mp-615682}
RD_990555609552_000 computation Reference Data From Materials Project: {formula:BaSiO3,spaceGroup:P2_1/c,id:mp-776076}
RD_990572712990_000 computation Reference Data From Materials Project: {formula:Ba3(PS4)2,spaceGroup:P2_1/c,id:mp-554255}
RD_990829538823_000 computation Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:Pc,id:mp-753460}
RD_990924148088_000 computation Reference Data From Materials Project: {formula:YbBaSi4N7,spaceGroup:P6_3mc,id:mp-6778}
RD_991062982702_000 computation Reference Data From Materials Project: {formula:RbBa2N15,spaceGroup:P2/c,id:mp-605646}
RD_992186020075_000 computation Reference Data From Materials Project: {formula:BaMg2FeH8,spaceGroup:P-3m1,id:mp-643264}
RD_992226565038_000 computation Reference Data From Materials Project: {formula:BaSn3,spaceGroup:P6_3/mmc,id:mp-7759}
RD_993117153482_000 computation Reference Data From Materials Project: {formula:BaU(SiO4)2,spaceGroup:Ccmm,id:mp-555561}
RD_993472354129_000 computation Reference Data From Materials Project: {formula:Ba2CaReO6,spaceGroup:I4/m,id:mp-12417}
RD_993908753635_000 computation Reference Data From Materials Project: {formula:BaTeO3,spaceGroup:P2_1/m,id:mp-5431}
RD_994611595880_000 computation Reference Data From Materials Project: {formula:Ba5Ta4O15,spaceGroup:P-3m1,id:mp-504554}
RD_994654099788_000 computation Reference Data From Materials Project: {formula:Ba3LaZnReWO12,spaceGroup:R3m,id:mp-705508}
RD_994741813561_000 computation Reference Data From Materials Project: {formula:Ba3Ta6(Si2O13)2,spaceGroup:P-62m,id:mp-6169}
RD_994759453918_000 computation Reference Data From Materials Project: {formula:Ba2ErSbO6,spaceGroup:Fm-3m,id:mp-6231}
RD_994807134062_000 computation Reference Data From Materials Project: {formula:Ba3(SbO3)2,spaceGroup:P-1,id:mp-31238}
RD_995327108104_000 computation Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:C222_1,id:mp-558125}
RD_995695223427_000 computation Reference Data From Materials Project: {formula:BaPb,spaceGroup:Cmcm,id:mp-20136}
RD_996131780274_000 computation Reference Data From Materials Project: {formula:BaCu2SnS4,spaceGroup:P3_121,id:mp-17954}
RD_996243466851_000 computation Reference Data From Materials Project: {formula:BaCl2,spaceGroup:P-62m,id:mp-567680}
RD_996303311198_000 computation Reference Data From Materials Project: {formula:Ba4LiW2N7,spaceGroup:P2/c,id:mp-6665}
RD_996337341123_000 computation Reference Data From Materials Project: {formula:Ba4LiTa3O12,spaceGroup:P6_3mc,id:mp-16792}
RD_996725407267_000 computation Reference Data From Materials Project: {formula:BaNaNdSi2O7,spaceGroup:Pcab,id:mp-559384}
RD_997038586748_000 computation Reference Data From Materials Project: {formula:Ba5In5O12,spaceGroup:P-1,id:mp-753422}
RD_997208550376_000 computation Reference Data From Materials Project: {formula:BaAg2(HgO2)2,spaceGroup:P4/nbm,id:mp-557862}
RD_997445273729_000 computation Reference Data From Materials Project: {formula:Ba4ZrO6,spaceGroup:R-3c,id:mp-769391}
RD_997501187792_000 computation Reference Data From Materials Project: {formula:Ba3(AlSi)2,spaceGroup:Immm,id:mp-9578}
RD_998113662126_000 computation Reference Data From Materials Project: {formula:Ba2HoSbO6,spaceGroup:Fm-3m,id:mp-6687}
RD_998327778470_000 computation Reference Data From Materials Project: {formula:Ba2AlInO5,spaceGroup:P6_3/mmc,id:mp-556282}
RD_998493415393_000 computation Reference Data From Materials Project: {formula:Ba(H2O3)2,spaceGroup:P1,id:mp-625964}
RD_998916700196_000 computation Reference Data From Materials Project: {formula:BaLiH3,spaceGroup:Pm-3m,id:mp-23818}
RD_999440647289_000 computation Ba in AFLOW crystal prototype A_cI2_229_a (Body-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_999451657740_000 computation Reference Data From Materials Project: {formula:Ba(HO)2,spaceGroup:P2_1/c,id:mp-626725}
RD_999516368651_000 computation Reference Data From Materials Project: {formula:Ba2SmMoO6,spaceGroup:Fm-3m,id:mp-19258}
Be
Reference Data Data Method Description
RD_002525327375_000 computation Reference Data From Materials Project: {formula:K4BeP2,spaceGroup:R-3m,id:mp-9872}
RD_002721614746_000 computation Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_004475287450_000 computation Reference Data From Materials Project: {formula:CsBeF3,spaceGroup:Pnma,id:mp-12262}
RD_004475928917_000 computation Reference Data From Materials Project: {formula:TiBe2Ir,spaceGroup:Fm-3m,id:mp-866139}
RD_004708018241_000 computation Reference Data From Materials Project: {formula:K2Be(Si2O5)2,spaceGroup:P2_1/c,id:mp-557802}
RD_004760770954_000 computation Reference Data From Materials Project: {formula:Be4Si2H2O9,spaceGroup:Cmc2_1,id:mp-707304}
RD_004882051973_000 computation Be in AFLOW crystal prototype A_cI2_229_a (Body-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_004951726842_000 computation Reference Data From Materials Project: {formula:KCa2Be2Al(Si2O5)6,spaceGroup:Ccc2,id:mp-693620}
RD_005018859525_000 computation Be in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0}
RD_005860764053_000 computation Reference Data From Materials Project: {formula:BeO,spaceGroup:Fm-3m,id:mp-1794}
RD_008156970208_000 computation Reference Data From Materials Project: {formula:BePH4NO4,spaceGroup:P2_1cn,id:mp-24473}
RD_008775818467_000 computation Reference Data From Materials Project: {formula:MgBeAl4O8,spaceGroup:P6_3mc,id:mp-554364}
RD_009174551241_000 computation Reference Data From Materials Project: {formula:BeF2,spaceGroup:I-43m,id:mp-561543}
RD_009724712736_000 computation Reference Data From Materials Project: {formula:TiBe,spaceGroup:Pm-3m,id:mp-11279}
RD_011658325594_000 computation Reference Data From Materials Project: {formula:Be,spaceGroup:P6_3/mmc,id:mp-87}
RD_012164003479_000 computation Reference Data From Materials Project: {formula:BeSiRh2,spaceGroup:Fm-3m,id:mp-867767}
RD_012594664202_000 computation Reference Data From Materials Project: {formula:DyBe13,spaceGroup:Fm-3c,id:mp-31189}
RD_013116736210_000 computation Reference Data From Materials Project: {formula:NpBe13,spaceGroup:Fm-3c,id:mp-30442}
RD_013209744909_000 computation Reference Data From Materials Project: {formula:CeBe13,spaceGroup:Fm-3c,id:mp-457}
RD_013378791783_000 computation Reference Data From Materials Project: {formula:SrBe3O4,spaceGroup:P-62c,id:mp-27791}
RD_014063293592_000 computation Reference Data From Materials Project: {formula:HfBe13,spaceGroup:Fm-3c,id:mp-1878}
RD_015102002109_000 computation Reference Data From Materials Project: {formula:SmBeF4,spaceGroup:P2_1cn,id:mp-505432}
RD_017808409419_000 computation Reference Data From Materials Project: {formula:CeBe13,spaceGroup:Fm-3c,id:mp-457}
RD_017929071580_000 computation Reference Data From Materials Project: {formula:LiBeSb,spaceGroup:P6_3mc,id:mp-9575}