An item of "reference data" is an experimental result or a high-accuracy computation (such as using density functional theory (DFT)) for a material property defined in OpenKIM for a particular system (e.g. the {111} surface energy of fcc Cu). Click for more information.
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| Reference Data | Data Method | Description |
|---|---|---|
| RD_462149482844_000 | computation | Reference Data From Materials Project: {formula:Ba2MgH6,spaceGroup:P-3m1,id:mp-643370} |
| RD_462381571837_000 | computation | Reference Data From Materials Project: {formula:Ba8LiNb7O24,spaceGroup:P3m1,id:mp-773072} |
| RD_462516433219_000 | computation | Reference Data From Materials Project: {formula:Ba2Zn(HO)6,spaceGroup:P2_1/c,id:mp-696066} |
| RD_462585375089_000 | computation | Reference Data From Materials Project: {formula:CsBa(BO2)3,spaceGroup:P321,id:mp-556936} |
| RD_462767331632_000 | computation | Reference Data From Materials Project: {formula:Ba4Br6O,spaceGroup:P2_12_12_1,id:mp-779551} |
| RD_462875993918_000 | computation | Reference Data From Materials Project: {formula:BaLa(CoO3)2,spaceGroup:P4/mmm,id:mp-24855} |
| RD_463090686426_000 | computation | Reference Data From Materials Project: {formula:Ba6Bi6O17,spaceGroup:Immm,id:mp-758088} |
| RD_463249802785_000 | computation | Reference Data From Materials Project: {formula:Ba5La3I19,spaceGroup:P-1,id:mp-772221} |
| RD_463424889892_000 | computation | Reference Data From Materials Project: {formula:Ba2SiTe4,spaceGroup:P2_1/m,id:mp-14448} |
| RD_463439984997_000 | computation | Reference Data From Materials Project: {formula:Ba21Ge2O5,spaceGroup:Fd-3m,id:mp-559274} |
| RD_463738199360_000 | computation | Reference Data From Materials Project: {formula:Ba3LiIr2O9,spaceGroup:P6_3/mmc,id:mp-554837} |
| RD_463742198831_000 | computation | Reference Data From Materials Project: {formula:Ba3MgIr2O9,spaceGroup:P6_3/mmc,id:mp-554909} |
| RD_464734303297_000 | computation | Reference Data From Materials Project: {formula:BaNbTePO8,spaceGroup:Pbca,id:mp-560794} |
| RD_464891816934_000 | computation | Reference Data From Materials Project: {formula:Ba(FeS2)2,spaceGroup:I422,id:mp-676036} |
| RD_465085601558_000 | computation | Reference Data From Materials Project: {formula:BaMnF5,spaceGroup:P2_12_12_1,id:mp-559999} |
| RD_465306323711_000 | computation | Reference Data From Materials Project: {formula:BaCuP,spaceGroup:P6_3/mmc,id:mp-16254} |
| RD_465506693580_000 | computation | Reference Data From Materials Project: {formula:Ba4Na(BiO4)3,spaceGroup:Im-3m,id:mp-559352} |
| RD_465566684354_000 | computation | Reference Data From Materials Project: {formula:BaLiH3,spaceGroup:Pm-3m,id:mp-632808} |
| RD_465645180929_000 | computation | Reference Data From Materials Project: {formula:Ba(SbPd)2,spaceGroup:I4/mmm,id:mp-6963} |
| RD_466404946922_000 | computation | Reference Data From Materials Project: {formula:BaAl2O4,spaceGroup:P6_322,id:mp-619456} |
| RD_466432389569_000 | computation | Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:Pm-3m,id:mp-2998} |
| RD_467294110547_000 | computation | Reference Data From Materials Project: {formula:Ba2Cu2O5,spaceGroup:Pna2_1,id:mp-772788} |
| RD_467775608551_000 | computation | Reference Data From Materials Project: {formula:Ba2Mn2As2O,spaceGroup:C2/m,id:mp-561597} |
| RD_468011901767_000 | computation | Reference Data From Materials Project: {formula:YbBaAl2Si2N5O2,spaceGroup:P1,id:mp-684785} |
| RD_468157877256_000 | computation | Reference Data From Materials Project: {formula:BaSb3,spaceGroup:C2/m,id:mp-6950} |
| RD_468331866600_000 | computation | Reference Data From Materials Project: {formula:Ba4Na(BO3)3,spaceGroup:Ia-3d,id:mp-6575} |
| RD_468404800366_000 | computation | Reference Data From Materials Project: {formula:BaPb2BrF5,spaceGroup:P4/nmm,id:mp-554116} |
| RD_468731942251_000 | computation | Reference Data From Materials Project: {formula:BaAu,spaceGroup:Pmcn,id:mp-570775} |
| RD_468927620621_000 | computation | Reference Data From Materials Project: {formula:BaNa4O3,spaceGroup:Cc,id:mp-756090} |
| RD_469203345015_000 | computation | Reference Data From Materials Project: {formula:Ba2V3BiO11,spaceGroup:P2_1/c,id:mp-565650} |
| RD_469745074755_000 | computation | Reference Data From Materials Project: {formula:BaYF5,spaceGroup:P2_1,id:mp-777233} |
| RD_469763531349_000 | computation | Reference Data From Materials Project: {formula:BaRh2,spaceGroup:Fd-3m,id:mp-568430} |
| RD_469785143529_000 | computation | Reference Data From Materials Project: {formula:Ba4Ta2O9,spaceGroup:P2_1/c,id:mp-769344} |
| RD_470035756390_000 | computation | Reference Data From Materials Project: {formula:BaCa2(PN2)6,spaceGroup:Pa3,id:mp-6404} |
| RD_470447543333_000 | computation | Reference Data From Materials Project: {formula:BaSb2,spaceGroup:P2_1/m,id:mp-624668} |
| RD_470687387518_000 | computation | Reference Data From Materials Project: {formula:BaCa(CO3)2,spaceGroup:P2_1/m,id:mp-6568} |
| RD_470820192118_000 | computation | Reference Data From Materials Project: {formula:BaGe2B,spaceGroup:F-43m,id:mp-631556} |
| RD_470954440697_000 | computation | Reference Data From Materials Project: {formula:BaHg2,spaceGroup:P6/mmm,id:mp-11267} |
| RD_471263827268_000 | computation | Reference Data From Materials Project: {formula:BaNpPH2O7,spaceGroup:P2_1/c,id:mp-510571} |
| RD_471699897946_000 | computation | Reference Data From Materials Project: {formula:Ba2YSbO6,spaceGroup:Fm-3m,id:mp-6492} |
| RD_472235972539_000 | computation | Reference Data From Materials Project: {formula:Ba6Ge25,spaceGroup:P4_132,id:mp-569965} |
| RD_472481495877_000 | computation | Reference Data From Materials Project: {formula:BaAlSi5N7O2,spaceGroup:Pc,id:mp-706268} |
| RD_472649467749_000 | computation | Reference Data From Materials Project: {formula:Ba3LiRu2O9,spaceGroup:P6_3/mmc,id:mp-542122} |
| RD_473608260608_000 | computation | Reference Data From Materials Project: {formula:Ba3CaIr2O9,spaceGroup:P-3m1,id:mp-13369} |
| RD_473896537764_000 | computation | Reference Data From Materials Project: {formula:Ba6HfO8,spaceGroup:Fm-3m,id:mp-755610} |
| RD_474585292891_000 | computation | Reference Data From Materials Project: {formula:Ba2Na2O3,spaceGroup:P2_1/c,id:mp-752689} |
| RD_474687944738_000 | computation | Reference Data From Materials Project: {formula:Ba(AgGe)2,spaceGroup:I4/mmm,id:mp-13910} |
| RD_475857632778_000 | computation | Reference Data From Materials Project: {formula:Ba2LaCl7,spaceGroup:P2_1/c,id:mp-772955} |
| RD_476591347352_000 | computation | Reference Data From Materials Project: {formula:Ba17U11O42,spaceGroup:P-1,id:mp-759291} |
| RD_476749244678_000 | computation | Reference Data From Materials Project: {formula:Ba(SiIr)2,spaceGroup:P2_1/c,id:mp-14561} |
| RD_476995389047_000 | computation | Reference Data From Materials Project: {formula:Ba2DyNbO6,spaceGroup:Fm-3m,id:mp-12640} |
| RD_477099197580_000 | computation | Reference Data From Materials Project: {formula:BaTaB,spaceGroup:F-43m,id:mp-631570} |
| RD_477247377105_000 | computation | Reference Data From Materials Project: {formula:Ba7Na5Li3N3,spaceGroup:F-43m,id:mp-567157} |
| RD_477257608897_000 | computation | Reference Data From Materials Project: {formula:Ba4LiY2Cu5O14,spaceGroup:Cm,id:mp-757073} |
| RD_477274220816_000 | computation | Reference Data From Materials Project: {formula:BaDy2CoO5,spaceGroup:Immm,id:mp-19164} |
| RD_477694183807_000 | computation | Reference Data From Materials Project: {formula:BaZnF4,spaceGroup:Ccm2_1,id:mp-3881} |
| RD_477704196026_000 | computation | Reference Data From Materials Project: {formula:BaMnO3,spaceGroup:P6_3/mmc,id:mp-19156} |
| RD_477789148954_000 | computation | Reference Data From Materials Project: {formula:BaBiO3,spaceGroup:P2_1/c,id:mp-559051} |
| RD_478900805501_000 | computation | Reference Data From Materials Project: {formula:Ba2YCl7,spaceGroup:C2/c,id:mp-755104} |
| RD_478902324890_000 | computation | Reference Data From Materials Project: {formula:Ba3(RhO2)14,spaceGroup:P-1,id:mp-758025} |
| RD_478945103422_000 | computation | Reference Data From Materials Project: {formula:BaGa2(GeO4)2,spaceGroup:P2_1/c,id:mp-540585} |
| RD_479181909581_000 | computation | Reference Data From Materials Project: {formula:Ba2MnSi2ClO7,spaceGroup:P4bm,id:mp-566258} |
| RD_479529921943_000 | computation | Reference Data From Materials Project: {formula:Ba4I6O,spaceGroup:P6_3mc,id:mp-29909} |
| RD_479584803926_000 | computation | Reference Data From Materials Project: {formula:Ba(PrSe2)2,spaceGroup:I-42d,id:mp-33606} |
| RD_479775681807_000 | computation | Reference Data From Materials Project: {formula:BaBiO3,spaceGroup:Fm-3m,id:mp-23438} |
| RD_479907324913_000 | computation | Reference Data From Materials Project: {formula:Ba,spaceGroup:Fm-3m,id:mp-10679} |
| RD_480095570606_000 | computation | Reference Data From Materials Project: {formula:BaO,spaceGroup:Fm-3m,id:mp-1342} |
| RD_480128187930_000 | computation | Reference Data From Materials Project: {formula:Ba6Na16N,spaceGroup:Im-3m,id:mp-505213} |
| RD_480213034366_000 | computation | Reference Data From Materials Project: {formula:Ba2P2O7,spaceGroup:C2mm,id:mp-675424} |
| RD_480982693511_000 | computation | Reference Data From Materials Project: {formula:BaNaZr2F11,spaceGroup:I4_1/a,id:mp-561234} |
| RD_481176987967_000 | computation | Reference Data From Materials Project: {formula:Ba(CO)4,spaceGroup:I4/mcm,id:mp-30237} |
| RD_481182666816_000 | computation | Reference Data From Materials Project: {formula:BaSm2CoO5,spaceGroup:Immm,id:mp-19248} |
| RD_481184065744_000 | computation | Reference Data From Materials Project: {formula:Ba4Os6ClO18,spaceGroup:I23,id:mp-561099} |
| RD_481388485065_000 | computation | Reference Data From Materials Project: {formula:BaBrCl,spaceGroup:Pmnb,id:mp-28049} |
| RD_481858684421_000 | computation | Reference Data From Materials Project: {formula:Ba(GeRh)2,spaceGroup:I4/mmm,id:mp-10698} |
| RD_482119271271_000 | computation | Reference Data From Materials Project: {formula:BaLaMnMoO6,spaceGroup:F-43m,id:mp-40356} |
| RD_482167336171_000 | computation | Reference Data From Materials Project: {formula:Ba9LiSi10C(ClO4)7,spaceGroup:Pnmm,id:mp-559419} |
| RD_482270585881_000 | computation | Reference Data From Materials Project: {formula:Ba4Pr7Si12BN27,spaceGroup:P-6,id:mp-695596} |
| RD_482392190503_000 | computation | Reference Data From Materials Project: {formula:BaSi6N8O,spaceGroup:I2mm,id:mp-557414} |
| RD_483017391474_000 | computation | Reference Data From Materials Project: {formula:BaY6Si3B6(O12F)2,spaceGroup:P3m1,id:mp-554918} |
| RD_483400847706_000 | computation | Reference Data From Materials Project: {formula:KBa2Re,spaceGroup:F-43m,id:mp-631513} |
| RD_483476866351_000 | computation | Reference Data From Materials Project: {formula:Ba2TaBiO6,spaceGroup:C2/m,id:mp-545544} |
| RD_483553163090_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:Pbcn,id:mp-766348} |
| RD_484050773165_000 | computation | Reference Data From Materials Project: {formula:Ba5Ta2Cl2O9,spaceGroup:P6_3/mmc,id:mp-559378} |
| RD_484648927805_000 | computation | Reference Data From Materials Project: {formula:Ba2PrPtO6,spaceGroup:Fm-3m,id:mp-9319} |
| RD_485216486616_000 | computation | Reference Data From Materials Project: {formula:BaCr2O4,spaceGroup:Pnmm,id:mp-561864} |
| RD_485933289694_000 | computation | Reference Data From Materials Project: {formula:Ba2Y(CuO2)3,spaceGroup:P4/mmm,id:mp-22215} |
| RD_486158872031_000 | computation | Reference Data From Materials Project: {formula:Ba4LiNb3O12,spaceGroup:P6_3mc,id:mp-18274} |
| RD_486313131278_000 | computation | Reference Data From Materials Project: {formula:BaGe2,spaceGroup:I4_1/amd,id:mp-2611} |
| RD_486625677126_000 | computation | Reference Data From Materials Project: {formula:BaMg2Al6(Si3O10)3,spaceGroup:P1,id:mp-694056} |
| RD_486645704509_000 | computation | Reference Data From Materials Project: {formula:BaHo2ZnO5,spaceGroup:Pmcn,id:mp-6501} |
| RD_486894411854_000 | computation | Reference Data From Materials Project: {formula:Ba3MnN3,spaceGroup:P6_3/m,id:mp-9324} |
| RD_486906455313_000 | computation | Reference Data From Materials Project: {formula:EuBa2SbO6,spaceGroup:Fm-3m,id:mp-21370} |
| RD_487102717533_000 | computation | Reference Data From Materials Project: {formula:BaSr(FeO2)4,spaceGroup:P-31m,id:mp-24938} |
| RD_487345279575_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ba, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-10679) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_487848211607_000 | computation | Reference Data From Materials Project: {formula:BaZrNi,spaceGroup:F-43m,id:mp-631542} |
| RD_489096410166_000 | computation | Reference Data From Materials Project: {formula:Ba4Nd7Si12BN27,spaceGroup:P-6,id:mp-695553} |
| RD_489933359478_000 | computation | Reference Data From Materials Project: {formula:Ba3V2O8,spaceGroup:R-3m,id:mp-19365} |
| RD_490232368029_000 | computation | Reference Data From Materials Project: {formula:BaCu2(AsO4)2,spaceGroup:P2_1/c,id:mp-17262} |
| RD_490381757161_000 | computation | Reference Data From Materials Project: {formula:BaYSi4N7,spaceGroup:P6_3mc,id:mp-11670} |
| RD_490699419600_000 | computation | Reference Data From Materials Project: {formula:Ba3Dy4O9,spaceGroup:R3,id:mp-8974} |
| RD_490783471139_000 | computation | Reference Data From Materials Project: {formula:Ba3Y2F12,spaceGroup:P4/mbm,id:mp-752420} |
| RD_491087678691_000 | computation | Reference Data From Materials Project: {formula:Ba10LiW7O30,spaceGroup:P3m1,id:mp-773964} |
| RD_491273663960_000 | computation | Reference Data From Materials Project: {formula:Tb2Ba2Mn4O11,spaceGroup:Imcb,id:mp-868127} |
| RD_491290414088_000 | computation | Reference Data From Materials Project: {formula:Ba4Ce2O7,spaceGroup:P2_1/c,id:mp-778589} |
| RD_491293844767_000 | computation | Reference Data From Materials Project: {formula:Ba11(Cd4Bi7)2,spaceGroup:P-1,id:mp-607525} |
| RD_492259939337_000 | computation | Reference Data From Materials Project: {formula:Ba2Zn3(AsO)2,spaceGroup:I4/mmm,id:mp-14769} |
| RD_492262079898_000 | computation | Reference Data From Materials Project: {formula:Ba2BeGa,spaceGroup:F-43m,id:mp-631574} |
| RD_492780108429_000 | computation | Reference Data From Materials Project: {formula:BaTeMo2O9,spaceGroup:P2_1,id:mp-19049} |
| RD_492869759517_000 | computation | Reference Data From Materials Project: {formula:BaYF5,spaceGroup:P2_1,id:mp-754920} |
| RD_492905347457_000 | computation | Reference Data From Materials Project: {formula:Ba6Mg23,spaceGroup:Fm-3m,id:mp-568512} |
| RD_493254198720_000 | computation | Reference Data From Materials Project: {formula:Ba4OF6,spaceGroup:P4_2/nmc,id:mp-754354} |
| RD_493668219763_000 | computation | Reference Data From Materials Project: {formula:BaLaZnRuO6,spaceGroup:P1,id:mp-39259} |
| RD_493916973315_000 | computation | Reference Data From Materials Project: {formula:BaVZnP2O9,spaceGroup:Pbca,id:mp-554925} |
| RD_494329425092_000 | computation | Reference Data From Materials Project: {formula:BaNaFe4P6H3O25,spaceGroup:P2_1/c,id:mp-735783} |
| RD_494373458556_000 | computation | Reference Data From Materials Project: {formula:BaMnP2O7,spaceGroup:P-1,id:mp-19194} |
| RD_494520801685_000 | computation | Reference Data From Materials Project: {formula:BaLa2PtO5,spaceGroup:P4/mbm,id:mp-8809} |
| RD_494772115715_000 | computation | Reference Data From Materials Project: {formula:BaPdF4,spaceGroup:I4/mcm,id:mp-12623} |
| RD_494992354760_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:Pm2m,id:mp-753775} |
| RD_495646505258_000 | computation | Reference Data From Materials Project: {formula:Ba4In6O13,spaceGroup:I2cb,id:mp-622930} |
| RD_495887923508_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca3Tl2(CuO3)4,spaceGroup:I4/mmm,id:mp-556574} |
| RD_496496056930_000 | computation | Reference Data From Materials Project: {formula:Ba(BS2)2,spaceGroup:Cc,id:mp-30126} |
| RD_497129971553_000 | computation | Reference Data From Materials Project: {formula:BaTaB,spaceGroup:F-43m,id:mp-631570} |
| RD_497321826421_000 | computation | Reference Data From Materials Project: {formula:BaBi2O5,spaceGroup:P4/mmm,id:mp-35915} |
| RD_497463940539_000 | computation | Reference Data From Materials Project: {formula:Ba38Na58Li26N,spaceGroup:F-43m,id:mp-570185} |
| RD_497778646438_000 | computation | Reference Data From Materials Project: {formula:Ba(HO)2,spaceGroup:P2_1/c,id:mp-627016} |
| RD_497804225554_000 | computation | Reference Data From Materials Project: {formula:Ba2Si5N8,spaceGroup:Pmn2_1,id:mp-9711} |
| RD_498013301304_000 | computation | Reference Data From Materials Project: {formula:Ba4Si3Br2,spaceGroup:P2_1/c,id:mp-30101} |
| RD_498072007444_000 | computation | Reference Data From Materials Project: {formula:BaSnS2,spaceGroup:P2_1/c,id:mp-12181} |
| RD_498077336057_000 | computation | Reference Data From Materials Project: {formula:Ba2ZnWO6,spaceGroup:Fm-3m,id:mp-557382} |
| RD_498621631987_000 | computation | Reference Data From Materials Project: {formula:Ba3CuSb2O9,spaceGroup:P6_3mc,id:mp-17145} |
| RD_498646519672_000 | computation | Reference Data From Materials Project: {formula:Ba3Nb2(P2O9)2,spaceGroup:P-1,id:mp-554886} |
| RD_499685678002_000 | computation | Reference Data From Materials Project: {formula:Ba3Ho2(PS4)4,spaceGroup:Pbna,id:mp-559171} |
| RD_500075162014_000 | computation | Reference Data From Materials Project: {formula:Ba3Sn5,spaceGroup:Cmcm,id:mp-18636} |
| RD_500919063452_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P-31m,id:mp-753345} |
| RD_501011680621_000 | computation | Reference Data From Materials Project: {formula:Ba2TmReO6,spaceGroup:Fm-3m,id:mp-13934} |
| RD_502200404077_000 | computation | Reference Data From Materials Project: {formula:Tb2Ba2Ti2Cu2O11,spaceGroup:P4/mmm,id:mp-505223} |
| RD_502476847548_000 | computation | Reference Data From Materials Project: {formula:BaTm2NiO5,spaceGroup:Immm,id:mp-18756} |
| RD_502529774804_000 | computation | Reference Data From Materials Project: {formula:BaTl2O4,spaceGroup:Pnam,id:mp-754897} |
| RD_502834764498_000 | computation | Reference Data From Materials Project: {formula:Ba6Co25S27,spaceGroup:Pm-3m,id:mp-541376} |
| RD_503067609092_000 | computation | Reference Data From Materials Project: {formula:BaZnSiO4,spaceGroup:P6_3,id:mp-561305} |
| RD_503184230389_000 | computation | Reference Data From Materials Project: {formula:Ba3La2(BO3)4,spaceGroup:Pnam,id:mp-6446} |
| RD_503657843264_000 | computation | Reference Data From Materials Project: {formula:Ba2Ru7O18,spaceGroup:P-1,id:mp-559442} |
| RD_503927824867_000 | computation | Reference Data From Materials Project: {formula:Ba(FeP)2,spaceGroup:I4/mmm,id:mp-4883} |
| RD_503958278026_000 | computation | Reference Data From Materials Project: {formula:Ba4Sm2Cd3S10,spaceGroup:Cmc2_1,id:mp-10410} |
| RD_504029091793_000 | computation | Reference Data From Materials Project: {formula:Ba21Si2O5,spaceGroup:Fd-3m,id:mp-563032} |
| RD_504078801699_000 | computation | Reference Data From Materials Project: {formula:Ba3MgNb2O9,spaceGroup:P-3m1,id:mp-6474} |
| RD_504276251340_000 | computation | Reference Data From Materials Project: {formula:BaPrO3,spaceGroup:Pbnm,id:mp-22705} |
| RD_505333657525_000 | computation | Reference Data From Materials Project: {formula:Ba4NaCu(CO5)2,spaceGroup:I-42m,id:mp-6841} |
| RD_505427926139_000 | computation | Reference Data From Materials Project: {formula:Ba3GeO5,spaceGroup:P4/ncc,id:mp-778602} |
| RD_505525837097_000 | computation | Reference Data From Materials Project: {formula:Ba3Zn5In2O11,spaceGroup:F-43m,id:mp-560544} |
| RD_505904803686_000 | computation | Reference Data From Materials Project: {formula:Ba2Mn2Sb2O,spaceGroup:P6_3/mmc,id:mp-19213} |
| RD_506059793955_000 | computation | Reference Data From Materials Project: {formula:Ba2MnTeO6,spaceGroup:Fm-3m,id:mp-18992} |
| RD_506122529816_000 | computation | Reference Data From Materials Project: {formula:BaCu13,spaceGroup:Fm-3c,id:mp-642} |
| RD_506224641828_000 | computation | Reference Data From Materials Project: {formula:BaLaMgTaO6,spaceGroup:F-43m,id:mp-40251} |
| RD_506297646730_000 | computation | Reference Data From Materials Project: {formula:Ba2Ti6N2O11,spaceGroup:C2/m,id:mp-775944} |
| RD_506866859756_000 | computation | Reference Data From Materials Project: {formula:BaP2PbO7,spaceGroup:Pmnb,id:mp-505234} |
| RD_507390725000_000 | computation | Reference Data From Materials Project: {formula:K4Ba(GeO3)3,spaceGroup:C2,id:mp-557584} |
| RD_507412300905_000 | computation | Reference Data From Materials Project: {formula:BaLaI5,spaceGroup:P2_1/c,id:mp-754925} |
| RD_507614821075_000 | computation | Reference Data From Materials Project: {formula:BaLa2Mn3O9,spaceGroup:P-3c1,id:mp-690460} |
| RD_507913528928_000 | computation | Reference Data From Materials Project: {formula:Ba3YRu2O9,spaceGroup:P6_3/mmc,id:mp-18701} |
| RD_508119085450_000 | computation | Reference Data From Materials Project: {formula:Ba3Cr2O8,spaceGroup:R-3m,id:mp-18913} |
| RD_508386241317_000 | computation | Reference Data From Materials Project: {formula:Ba11Bi10,spaceGroup:I4/mmm,id:mp-542293} |
| RD_508451436351_000 | computation | Reference Data From Materials Project: {formula:TbBa2IrO6,spaceGroup:Fm-3m,id:mp-12410} |
| RD_508517528237_000 | computation | Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:P4mm,id:mp-12992} |
| RD_508542483507_000 | computation | Reference Data From Materials Project: {formula:BaSbPt,spaceGroup:P-6m2,id:mp-8606} |
| RD_509013282792_000 | computation | Ba in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_509015542429_000 | computation | Reference Data From Materials Project: {formula:EuBaO2,spaceGroup:R-3m,id:mp-754392} |
| RD_509059838781_000 | computation | Reference Data From Materials Project: {formula:Ba2PrCu3O7,spaceGroup:Pmmm,id:mp-20936} |
| RD_509082465113_000 | computation | Reference Data From Materials Project: {formula:Ba6Nd2Ti4O17,spaceGroup:P6_3/mmc,id:mp-16662} |
| RD_509230742026_000 | computation | Reference Data From Materials Project: {formula:BaSm2CuO5,spaceGroup:Pmcn,id:mp-21568} |
| RD_509244865943_000 | computation | Reference Data From Materials Project: {formula:Ba3Ti20O40,spaceGroup:C2/m,id:mp-531527} |
| RD_509368205513_000 | computation | Reference Data From Materials Project: {formula:Ba2HgPb,spaceGroup:Fm-3m,id:mp-866106} |
| RD_509637545866_000 | computation | Reference Data From Materials Project: {formula:Ba2NaOsO6,spaceGroup:Fm-3m,id:mp-22442} |
| RD_510276716130_000 | computation | Reference Data From Materials Project: {formula:BaTi8O16,spaceGroup:C2,id:mp-759489} |
| RD_510994081441_000 | computation | Reference Data From Materials Project: {formula:Ba4La8Mn11SnO36,spaceGroup:P1,id:mp-743838} |
| RD_511717598031_000 | computation | Reference Data From Materials Project: {formula:BaMnO3,spaceGroup:P-6m2,id:mp-761412} |
| RD_511836579960_000 | computation | Reference Data From Materials Project: {formula:Ba5Mn3ClO12,spaceGroup:P6_3/m,id:mp-650764} |
| RD_511888232649_000 | computation | Reference Data From Materials Project: {formula:Ba2CoReO6,spaceGroup:Fm-3m,id:mp-558955} |
| RD_511927374423_000 | computation | Reference Data From Materials Project: {formula:Ba2Ce3Si3O12F,spaceGroup:P6_3,id:mp-42307} |
| RD_512262151164_000 | computation | Reference Data From Materials Project: {formula:Ba3Lu2Zn5O11,spaceGroup:F-43m,id:mp-554066} |
| RD_512552756053_000 | computation | Reference Data From Materials Project: {formula:Ba2Cu(PO4)2,spaceGroup:C2/m,id:mp-9372} |
| RD_513063186926_000 | computation | Reference Data From Materials Project: {formula:Ba2Bi2O5,spaceGroup:P2_1/c,id:mp-28670} |
| RD_513398289317_000 | computation | Reference Data From Materials Project: {formula:Ba6ZrO8,spaceGroup:Fm-3m,id:mp-755556} |
| RD_513449046852_000 | computation | Reference Data From Materials Project: {formula:BaNbTc2,spaceGroup:Fm-3m,id:mp-631491} |
| RD_513492822035_000 | computation | Reference Data From Materials Project: {formula:BaVSe3,spaceGroup:P6_3/mmc,id:mp-27363} |
| RD_513818278596_000 | computation | Reference Data From Materials Project: {formula:Ba2CuBrO2,spaceGroup:R-3m,id:mp-552934} |
| RD_513999558976_000 | computation | Reference Data From Materials Project: {formula:BaNa5LiCo5F18,spaceGroup:P1,id:mp-694942} |
| RD_514169563589_000 | computation | Reference Data From Materials Project: {formula:Ba2CaUO6,spaceGroup:P2_1/c,id:mp-557448} |
| RD_514296840680_000 | computation | Reference Data From Materials Project: {formula:Ba2V2O7,spaceGroup:P-1,id:mp-19474} |
| RD_514624719196_000 | computation | Reference Data From Materials Project: {formula:Ba2SrIrO6,spaceGroup:Fm-3m,id:mp-9115} |
| RD_514949382575_000 | computation | Reference Data From Materials Project: {formula:Ba3(GaS3)2,spaceGroup:C2/c,id:mp-29302} |
| RD_515039236199_000 | computation | Reference Data From Materials Project: {formula:BaNiO2,spaceGroup:Ccmm,id:mp-18943} |
| RD_515134290364_000 | computation | Reference Data From Materials Project: {formula:BaIn2Rh,spaceGroup:Cmcm,id:mp-11078} |
| RD_515514156762_000 | computation | Reference Data From Materials Project: {formula:Ba17Dy16Zn8Pt4O57,spaceGroup:I4/m,id:mp-556377} |
| RD_516407441518_000 | computation | Reference Data From Materials Project: {formula:Ba3AlF9,spaceGroup:Pn2b,id:mp-555438} |
| RD_516414471198_000 | computation | Reference Data From Materials Project: {formula:BaYAgTe3,spaceGroup:Cmcm,id:mp-10337} |
| RD_516633823545_000 | computation | Reference Data From Materials Project: {formula:Ba3AlF9,spaceGroup:Pmnb,id:mp-556863} |
| RD_516686733618_000 | computation | Reference Data From Materials Project: {formula:Ba3Cu2(ClO2)2,spaceGroup:Pmmb,id:mp-559757} |
| RD_516976529321_000 | computation | Reference Data From Materials Project: {formula:Ba(CoAs)2,spaceGroup:I4/mmm,id:mp-20563} |
| RD_517091183852_000 | computation | Reference Data From Materials Project: {formula:K4BaU3O12,spaceGroup:Im-3m,id:mp-19965} |
| RD_517573125285_000 | computation | Reference Data From Materials Project: {formula:BaTeF6,spaceGroup:F2dd,id:mp-556778} |
| RD_517902934986_000 | computation | Reference Data From Materials Project: {formula:BaYF5,spaceGroup:P-1,id:mp-768355} |
| RD_518583447878_000 | computation | Reference Data From Materials Project: {formula:BaLa2O4,spaceGroup:C2/c,id:mp-772798} |
| RD_518612218151_000 | computation | Reference Data From Materials Project: {formula:Ba5V5O14,spaceGroup:P-3m1,id:mp-19088} |
| RD_518702126332_000 | computation | Reference Data From Materials Project: {formula:BaCuP,spaceGroup:P6_3/mmc,id:mp-16254} |
| RD_519208475150_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca(PdO2)3,spaceGroup:Fmmm,id:mp-17380} |
| RD_519879494809_000 | computation | Reference Data From Materials Project: {formula:BaAl2(GeO4)2,spaceGroup:C2/c,id:mp-556178} |
| RD_520093510405_000 | computation | Reference Data From Materials Project: {formula:BaTcO3,spaceGroup:P6_3/mmc,id:mp-555174} |
| RD_520789484821_000 | computation | Reference Data From Materials Project: {formula:BaCrF5,spaceGroup:P2_12_12_1,id:mp-562066} |
| RD_520906712948_000 | computation | Reference Data From Materials Project: {formula:Ba14Na14LiN6,spaceGroup:Fm-3m,id:mp-645662} |
| RD_521167153473_000 | computation | Reference Data From Materials Project: {formula:Ba3P2,spaceGroup:I-42d,id:mp-32606} |
| RD_521188780808_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:Pbcn,id:mp-766340} |
| RD_521480755219_000 | computation | Reference Data From Materials Project: {formula:BaLiF3,spaceGroup:Pm-3m,id:mp-10250} |
| RD_521670462215_000 | computation | Reference Data From Materials Project: {formula:Ba20As13,spaceGroup:F2dd,id:mp-685008} |
| RD_521742903896_000 | computation | Reference Data From Materials Project: {formula:BaCaSn,spaceGroup:Pmnb,id:mp-11265} |
| RD_522677540668_000 | computation | Reference Data From Materials Project: {formula:Ba3Al5,spaceGroup:P6_3/mmc,id:mp-261} |
| RD_522803575194_000 | computation | Reference Data From Materials Project: {formula:BaFe12O19,spaceGroup:P6_3/mmc,id:mp-565581} |
| RD_523014432058_000 | computation | Reference Data From Materials Project: {formula:BaZr(PO4)2,spaceGroup:C2/m,id:mp-556139} |
| RD_523112477694_000 | computation | Reference Data From Materials Project: {formula:BaAs2Pt,spaceGroup:Cmcm,id:mp-9769} |
| RD_523405500258_000 | computation | Reference Data From Materials Project: {formula:Ba3Lu(BO3)3,spaceGroup:P6_3cm,id:mp-14386} |
| RD_523564049556_000 | computation | Reference Data From Materials Project: {formula:Ba7(ClF6)2,spaceGroup:P-6,id:mp-23547} |
| RD_524450358139_000 | computation | Reference Data From Materials Project: {formula:BaTaF7,spaceGroup:Pa3,id:mp-559835} |
| RD_525071671540_000 | computation | Reference Data From Materials Project: {formula:BaDy2PdO5,spaceGroup:P4/mbm,id:mp-9740} |
| RD_525256777855_000 | computation | Reference Data From Materials Project: {formula:Ba2NdAlO5,spaceGroup:P2_1,id:mp-555284} |
| RD_525318537913_000 | computation | Reference Data From Materials Project: {formula:BaLuFeCuO5,spaceGroup:P4mm,id:mp-611393} |
| RD_526281616285_000 | computation | Reference Data From Materials Project: {formula:Ba3TiS5,spaceGroup:I4/mcm,id:mp-9668} |
| RD_526433346802_000 | computation | Reference Data From Materials Project: {formula:BaSm2NiO5,spaceGroup:Immm,id:mp-19199} |
| RD_526500584197_000 | computation | Reference Data From Materials Project: {formula:Ba2ZrO4,spaceGroup:I4/mmm,id:mp-8335} |
| RD_527218422096_000 | computation | Reference Data From Materials Project: {formula:Ba3LuRu2O9,spaceGroup:P6_3/mmc,id:mp-555246} |
| RD_527244431959_000 | computation | Reference Data From Materials Project: {formula:Ba(GaTe2)2,spaceGroup:I422,id:mp-38117} |
| RD_527337721565_000 | computation | Reference Data From Materials Project: {formula:Ba2Y2CuPtO8,spaceGroup:Pmcn,id:mp-504966} |
| RD_527517377799_000 | computation | Reference Data From Materials Project: {formula:Ba2LuCu3O7,spaceGroup:Pmmm,id:mp-20324} |
| RD_528291193796_000 | computation | Reference Data From Materials Project: {formula:BaAsPt,spaceGroup:P2_13,id:mp-8458} |
| RD_528700717788_000 | computation | Reference Data From Materials Project: {formula:BaCO3,spaceGroup:P2_1/m,id:mp-34195} |
| RD_528707921625_000 | computation | Reference Data From Materials Project: {formula:Ba(MgBi)2,spaceGroup:P-3m1,id:mp-29209} |
| RD_528731987215_000 | computation | Reference Data From Materials Project: {formula:Ba4Al5,spaceGroup:P6_3/mmc,id:mp-2631} |
| RD_528930202220_000 | computation | Reference Data From Materials Project: {formula:Ba3Ta6Si4O23,spaceGroup:P-62m,id:mp-559929} |
| RD_529097807889_000 | computation | Reference Data From Materials Project: {formula:BaSnHg,spaceGroup:P6_3/mmc,id:mp-11819} |
| RD_529211936450_000 | computation | Reference Data From Materials Project: {formula:BaZn2Si2O7,spaceGroup:Cmcm,id:mp-560441} |
| RD_529258145835_000 | computation | Reference Data From Materials Project: {formula:BaNb8O14,spaceGroup:Pmcb,id:mp-21644} |
| RD_529713962496_000 | computation | Reference Data From Materials Project: {formula:BaOsO3,spaceGroup:Pm-3m,id:mp-781625} |
| RD_530638960030_000 | computation | Reference Data From Materials Project: {formula:Ba2GeP2,spaceGroup:P2_1/c,id:mp-8194} |
| RD_531184416388_000 | computation | Reference Data From Materials Project: {formula:BaAl2(SiO4)2,spaceGroup:P2_1/c,id:mp-6091} |
| RD_531318520636_000 | computation | Reference Data From Materials Project: {formula:Ba3(SnP2)2,spaceGroup:P2_1/c,id:mp-2911} |
| RD_531394091969_000 | computation | Reference Data From Materials Project: {formula:BaHg2Pb,spaceGroup:Fm-3m,id:mp-864618} |
| RD_531404109368_000 | computation | Reference Data From Materials Project: {formula:Ba3HoUFeO9,spaceGroup:P3m1,id:mp-694975} |
| RD_531452810530_000 | computation | Reference Data From Materials Project: {formula:Ba2NaOsO6,spaceGroup:Fm-3m,id:mp-22442} |
| RD_531832486440_000 | computation | Reference Data From Materials Project: {formula:TbBa2ReO6,spaceGroup:Fm-3m,id:mp-13931} |
| RD_532046159078_000 | computation | Reference Data From Materials Project: {formula:Ba7B4S13,spaceGroup:C2/c,id:mp-562764} |
| RD_532068516506_000 | computation | Reference Data From Materials Project: {formula:Ba2Ho(CuO2)4,spaceGroup:Cmmm,id:mp-6205} |
| RD_532176290144_000 | computation | Reference Data From Materials Project: {formula:YbBa3Ru2O9,spaceGroup:P6_3/mmc,id:mp-541743} |
| RD_532193116509_000 | computation | Reference Data From Materials Project: {formula:BaDyCo4O7,spaceGroup:P6_3mc,id:mp-18804} |
| RD_532349487148_000 | computation | Reference Data From Materials Project: {formula:Ba7Fe6CuF34,spaceGroup:C2/m,id:mp-553974} |
| RD_533060464248_000 | computation | Reference Data From Materials Project: {formula:Ba2UCu2S5,spaceGroup:C2/m,id:mp-555358} |
| RD_533192688586_000 | computation | Reference Data From Materials Project: {formula:Ba3SrTa2O9,spaceGroup:P6_3/m,id:mp-540950} |
| RD_533307911232_000 | computation | Reference Data From Materials Project: {formula:Ba2YCu3O7,spaceGroup:Pmmm,id:mp-20674} |
| RD_533440815500_000 | computation | Reference Data From Materials Project: {formula:Ba3La2Cl12,spaceGroup:P4/mbm,id:mp-771914} |
| RD_533507369019_000 | computation | Reference Data From Materials Project: {formula:Ba3(LiSn2)4,spaceGroup:C2/m,id:mp-30254} |
| RD_533521734020_000 | computation | Reference Data From Materials Project: {formula:BaHgRuO5,spaceGroup:P6_3/m,id:mp-560702} |
| RD_533793070699_000 | computation | Reference Data From Materials Project: {formula:Ba17Y16Zn8Pt4O57,spaceGroup:I4/m,id:mp-560146} |
| RD_533950033915_000 | computation | Reference Data From Materials Project: {formula:Ba7Sc6Al2O19,spaceGroup:P6_3/mmc,id:mp-559325} |
| RD_534110200785_000 | computation | Reference Data From Materials Project: {formula:Ba(GaPt)2,spaceGroup:P2_1/c,id:mp-504985} |
| RD_534382715049_000 | computation | Reference Data From Materials Project: {formula:BaLiAs,spaceGroup:P-6m2,id:mp-10616} |
| RD_534712834404_000 | computation | Reference Data From Materials Project: {formula:Ba(SbO3)2,spaceGroup:P-31m,id:mp-9127} |
| RD_535040294171_000 | computation | Reference Data From Materials Project: {formula:BaGa2(SiO4)2,spaceGroup:C2/c,id:mp-6759} |
| RD_535255449305_000 | computation | Reference Data From Materials Project: {formula:BaTm2O4,spaceGroup:Pnma,id:mp-754599} |
| RD_535443034824_000 | computation | Reference Data From Materials Project: {formula:Ba2HoRuO6,spaceGroup:Fm-3m,id:mp-6609} |
| RD_535564709795_000 | computation | Reference Data From Materials Project: {formula:Ba8B5N10F,spaceGroup:P-1,id:mp-561502} |
| RD_535648373156_000 | computation | Reference Data From Materials Project: {formula:BaIn2Pt,spaceGroup:Cmcm,id:mp-21032} |
| RD_535854394168_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_536619550429_000 | computation | Reference Data From Materials Project: {formula:Ba2(IrO3)3,spaceGroup:I23,id:mp-510508} |
| RD_536734241507_000 | computation | Reference Data From Materials Project: {formula:BaCuP,spaceGroup:P6_3/mmc,id:mp-16254} |
| RD_536900832517_000 | computation | Reference Data From Materials Project: {formula:Ba5(InSb3)2,spaceGroup:Pmcb,id:mp-615760} |
| RD_537037341045_000 | computation | Reference Data From Materials Project: {formula:BaMg2V2O8,spaceGroup:I4_1/acd,id:mp-19084} |
| RD_537294175722_000 | computation | Reference Data From Materials Project: {formula:Ba2LaTaO6,spaceGroup:C2/m,id:mp-13055} |
| RD_537372231460_000 | computation | Reference Data From Materials Project: {formula:EuBa2NbO6,spaceGroup:I4/m,id:mp-13323} |
| RD_537446903085_000 | computation | Reference Data From Materials Project: {formula:BaNaCe2C4O12F,spaceGroup:P6_3/mmc,id:mp-542264} |
| RD_538984768051_000 | computation | Reference Data From Materials Project: {formula:Ba3BiN,spaceGroup:P6_3/mmc,id:mp-567666} |
| RD_539244194709_000 | computation | Reference Data From Materials Project: {formula:KBaPS4,spaceGroup:Pmcn,id:mp-17088} |
| RD_539417570635_000 | computation | Reference Data From Materials Project: {formula:BaGe,spaceGroup:Cmcm,id:mp-1730} |
| RD_540427340767_000 | computation | Reference Data From Materials Project: {formula:Ba2P7Cl,spaceGroup:P2_1/m,id:mp-569613} |
| RD_540690117630_000 | computation | Reference Data From Materials Project: {formula:Ba2Li3NbN4,spaceGroup:C2/c,id:mp-567658} |
| RD_540803236120_000 | computation | Reference Data From Materials Project: {formula:BaBi2(MoO4)4,spaceGroup:C2/c,id:mp-642792} |
| RD_541150762784_000 | computation | Reference Data From Materials Project: {formula:Ba3Y2Cl12,spaceGroup:P2_1/c,id:mp-768957} |
| RD_541316794951_000 | computation | Reference Data From Materials Project: {formula:Ba6CdAg2(SnS4)4,spaceGroup:I-42d,id:mp-532680} |
| RD_541399089931_000 | computation | Reference Data From Materials Project: {formula:Ba3NiIr2O9,spaceGroup:P6_3/mmc,id:mp-556189} |
| RD_541621869662_000 | computation | Reference Data From Materials Project: {formula:Ba(Ag3O2)2,spaceGroup:Pnan,id:mp-27286} |
| RD_541989107585_000 | computation | Reference Data From Materials Project: {formula:BaFe2(SeO3)4,spaceGroup:P2/c,id:mp-566125} |
| RD_542127986665_000 | computation | Reference Data From Materials Project: {formula:Ba8Re2(WO8)3,spaceGroup:R-3m,id:mp-654327} |
| RD_542283477462_000 | computation | Reference Data From Materials Project: {formula:BaSn(GeO3)3,spaceGroup:P-6c2,id:mp-540635} |
| RD_542370167349_000 | computation | Reference Data From Materials Project: {formula:Ba18Pr9Sn4Sb5O54,spaceGroup:Cm,id:mp-695389} |
| RD_542579274460_000 | computation | Reference Data From Materials Project: {formula:Ba2Ni(NO2)6,spaceGroup:Fm-3m,id:mp-25098} |
| RD_542599810298_000 | computation | Reference Data From Materials Project: {formula:BaIrF6,spaceGroup:R-3,id:mp-13545} |
| RD_542610434559_000 | computation | Reference Data From Materials Project: {formula:YbBa3(BO3)3,spaceGroup:P6_3cm,id:mp-6131} |
| RD_543559861203_000 | computation | Reference Data From Materials Project: {formula:BaCaO2,spaceGroup:Pmnb,id:mp-756930} |
| RD_543704605169_000 | computation | Reference Data From Materials Project: {formula:Ba2YIrO6,spaceGroup:Fm-3m,id:mp-15888} |
| RD_543979518551_000 | computation | Reference Data From Materials Project: {formula:BaLaMnInO6,spaceGroup:Pbmn,id:mp-697820} |
| RD_544469792373_000 | computation | Reference Data From Materials Project: {formula:Ba4Tm6O13,spaceGroup:I2cb,id:mp-772408} |
| RD_544741353518_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ba, hcp Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-56) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_544886707109_000 | computation | Reference Data From Materials Project: {formula:Ba2NiOsO6,spaceGroup:P-3m1,id:mp-540694} |
| RD_545270314243_000 | computation | Reference Data From Materials Project: {formula:Ba6Ti7(Sb3O14)3,spaceGroup:Cm,id:mp-773058} |
| RD_545291899562_000 | computation | Reference Data From Materials Project: {formula:Ba2Fe2Se2OF2,spaceGroup:I4/mmm,id:mp-561844} |
| RD_545373887441_000 | computation | Reference Data From Materials Project: {formula:Ba3P4,spaceGroup:F2dd,id:mp-14289} |
| RD_545857876599_000 | computation | Reference Data From Materials Project: {formula:BaHgS2,spaceGroup:Pm2_1b,id:mp-28007} |
| RD_546021118976_000 | computation | Reference Data From Materials Project: {formula:Ba3Nb2CoO9,spaceGroup:P-3m1,id:mp-600864} |
| RD_546100937458_000 | computation | Reference Data From Materials Project: {formula:Ba2GeO4,spaceGroup:Pbnm,id:mp-752410} |
| RD_546208950494_000 | computation | Reference Data From Materials Project: {formula:Ba2BeS(OF)4,spaceGroup:P2_1,id:mp-679630} |
| RD_546938728580_000 | computation | Reference Data From Materials Project: {formula:BaV2(P2O7)2,spaceGroup:P-1,id:mp-566356} |
| RD_546967735103_000 | computation | Reference Data From Materials Project: {formula:BaZnGe,spaceGroup:P6_3/mmc,id:mp-11818} |
| RD_547059770247_000 | computation | Reference Data From Materials Project: {formula:Ba3WN4,spaceGroup:P31c,id:mp-680210} |
| RD_547269256769_000 | computation | Reference Data From Materials Project: {formula:Ba6YI15,spaceGroup:C2/c,id:mp-776782} |
| RD_547645708982_000 | computation | Reference Data From Materials Project: {formula:BaSi3SnO9,spaceGroup:P-6c2,id:mp-18502} |
| RD_547787836769_000 | computation | Reference Data From Materials Project: {formula:Ba3Fe3Se7,spaceGroup:P6_3mc,id:mp-567429} |
| RD_547802150905_000 | computation | Reference Data From Materials Project: {formula:Ba2TaBiO6,spaceGroup:Fm-3m,id:mp-552200} |
| RD_548013585515_000 | computation | Reference Data From Materials Project: {formula:BaYI5,spaceGroup:C2/c,id:mp-754144} |
| RD_548195881069_000 | computation | Reference Data From Materials Project: {formula:BaCe2CoS5,spaceGroup:I4/mcm,id:mp-22288} |
| RD_548319768215_000 | computation | Reference Data From Materials Project: {formula:Ba2As6O11,spaceGroup:P1,id:mp-675757} |
| RD_548633613479_000 | computation | Reference Data From Materials Project: {formula:K4BaU3O12,spaceGroup:Im-3m,id:mp-19965} |
| RD_548971276967_000 | computation | Reference Data From Materials Project: {formula:BaHg2,spaceGroup:P6/mmm,id:mp-11267} |
| RD_549313124588_000 | computation | Reference Data From Materials Project: {formula:Ba4Ti4O9,spaceGroup:C2/m,id:mp-530879} |
| RD_549779661692_000 | computation | Reference Data From Materials Project: {formula:BaNi2(AsO4)2,spaceGroup:R-3,id:mp-19388} |
| RD_550121984962_000 | computation | Reference Data From Materials Project: {formula:Ba3SrNb2O9,spaceGroup:P6_3/mmc,id:mp-540794} |
| RD_550498865715_000 | computation | Reference Data From Materials Project: {formula:BaTi2O5,spaceGroup:C2,id:mp-555966} |
| RD_550773789340_000 | computation | Reference Data From Materials Project: {formula:BaYMn2O5,spaceGroup:P4/mmm,id:mp-18850} |
| RD_551167514660_000 | computation | Reference Data From Materials Project: {formula:Ba6(NiO3)5,spaceGroup:R32,id:mp-562155} |
| RD_551385430132_000 | computation | Reference Data From Materials Project: {formula:BaNbO3,spaceGroup:Pm-3m,id:mp-3020} |
| RD_551443882592_000 | computation | Reference Data From Materials Project: {formula:BaGdCl5,spaceGroup:C2/c,id:mp-29538} |
| RD_552170455470_000 | computation | Reference Data From Materials Project: {formula:Ba5SrNd2Fe4O15,spaceGroup:Cc,id:mp-698854} |
| RD_552278749589_000 | computation | Reference Data From Materials Project: {formula:BaP2(HO2)4,spaceGroup:Pccn,id:mp-706400} |
| RD_552782312831_000 | computation | Reference Data From Materials Project: {formula:Ba13Dy8Zn4Pt4O37,spaceGroup:I4/m,id:mp-555356} |
| RD_553346228169_000 | computation | Reference Data From Materials Project: {formula:Ba14Na11Li5N6,spaceGroup:F-43m,id:mp-645700} |
| RD_553416448674_000 | computation | Reference Data From Materials Project: {formula:Ba5As3ClO12,spaceGroup:P6_3/m,id:mp-556761} |
| RD_553868173658_000 | computation | Reference Data From Materials Project: {formula:BaCO3,spaceGroup:Pn2n,id:mp-675324} |
| RD_553893784096_000 | computation | Reference Data From Materials Project: {formula:Ba3In(BO3)3,spaceGroup:R-3,id:mp-866313} |
| RD_554097002271_000 | computation | Reference Data From Materials Project: {formula:BaCuCO3F2,spaceGroup:Pbcm,id:mp-556030} |
| RD_554341836419_000 | computation | Reference Data From Materials Project: {formula:BaSrI4,spaceGroup:P2_1/c,id:mp-752575} |
| RD_554859377724_000 | computation | Reference Data From Materials Project: {formula:YbBa4(CuO3)3,spaceGroup:Pm-3n,id:mp-653337} |
| RD_555254122325_000 | computation | Reference Data From Materials Project: {formula:Ba3Si3N5ClO,spaceGroup:Cc,id:mp-677613} |
| RD_555868990657_000 | computation | Reference Data From Materials Project: {formula:Ba3La7Ti3Cr7O30,spaceGroup:P1,id:mp-697840} |
| RD_556010284860_000 | computation | Reference Data From Materials Project: {formula:Ba(MnAs)2,spaceGroup:I4/mmm,id:mp-15608} |
| RD_556035980304_000 | computation | Reference Data From Materials Project: {formula:K2BaCdSb2,spaceGroup:Pmc2_1,id:mp-867340} |
| RD_556072043118_000 | computation | Reference Data From Materials Project: {formula:BaB2F8,spaceGroup:C2/m,id:mp-558430} |
| RD_556208386175_000 | computation | Reference Data From Materials Project: {formula:Ba2UFeO6,spaceGroup:Fm-3m,id:mp-540827} |
| RD_556495817505_000 | computation | Reference Data From Materials Project: {formula:BaNd2CoO5,spaceGroup:Immm,id:mp-19118} |
| RD_556964798008_000 | computation | Reference Data From Materials Project: {formula:BaAg2,spaceGroup:P6/mmm,id:mp-1241} |
| RD_557088790103_000 | computation | Reference Data From Materials Project: {formula:Ba2LiOsO6,spaceGroup:Fm-3m,id:mp-10584} |
| RD_557235240387_000 | computation | Reference Data From Materials Project: {formula:KBa7Al15Si17O64,spaceGroup:P1,id:mp-706815} |
| RD_557400492863_000 | computation | Reference Data From Materials Project: {formula:BaCrF6,spaceGroup:R-3m,id:mp-559246} |
| RD_557656367135_000 | computation | Reference Data From Materials Project: {formula:BaMgOs2,spaceGroup:Fm-3m,id:mp-631498} |
| RD_557677465861_000 | computation | Reference Data From Materials Project: {formula:Ba2Ni2ClF7,spaceGroup:P2_1/m,id:mp-565891} |
| RD_557820748184_000 | computation | Reference Data From Materials Project: {formula:Ba8In6O17,spaceGroup:P-1,id:mp-758269} |
| RD_558060777016_000 | computation | Reference Data From Materials Project: {formula:BaCd,spaceGroup:Pm-3m,id:mp-527} |
| RD_558293105079_000 | computation | Reference Data From Materials Project: {formula:BaPr2PdO5,spaceGroup:P4/mbm,id:mp-9759} |
| RD_558940289057_000 | computation | Reference Data From Materials Project: {formula:Ba(NiO2)4,spaceGroup:R-3m,id:mp-18991} |
| RD_559687577093_000 | computation | Reference Data From Materials Project: {formula:Ba5Al2In2IrClO13,spaceGroup:P6_3/mmc,id:mp-559534} |
| RD_559902475838_000 | computation | Reference Data From Materials Project: {formula:Ba3YRu2O9,spaceGroup:P6_3/mmc,id:mp-18701} |
| RD_560229579529_000 | computation | Reference Data From Materials Project: {formula:Ba6Li2Ta9Ti7O42,spaceGroup:Cm,id:mp-773118} |
| RD_560421125480_000 | computation | Reference Data From Materials Project: {formula:Ba6Ru2Pt(ClO6)2,spaceGroup:P-3m1,id:mp-554949} |
| RD_560555895965_000 | computation | Reference Data From Materials Project: {formula:BaYFe4O7,spaceGroup:F-43m,id:mp-566408} |
| RD_561068701478_000 | computation | Reference Data From Materials Project: {formula:BaMo2(PO6)2,spaceGroup:P2_1/c,id:mp-615550} |
| RD_561789131321_000 | computation | Reference Data From Materials Project: {formula:Ba16Nb5N19,spaceGroup:P-1,id:mp-30001} |
| RD_562009396575_000 | computation | Reference Data From Materials Project: {formula:Ba3ErRu2O9,spaceGroup:P6_3/mmc,id:mp-541721} |
| RD_562986392198_000 | computation | Reference Data From Materials Project: {formula:BaS,spaceGroup:Fm-3m,id:mp-1500} |
| RD_563051765464_000 | computation | Reference Data From Materials Project: {formula:BaFe2P2O7F2,spaceGroup:Pnmm,id:mp-566925} |
| RD_563296388893_000 | computation | Reference Data From Materials Project: {formula:BaCu4S3,spaceGroup:Pmnb,id:mp-654109} |
| RD_563675487494_000 | computation | Reference Data From Materials Project: {formula:Ba(AuF4)2,spaceGroup:I-4,id:mp-28719} |
| RD_563873463146_000 | computation | Reference Data From Materials Project: {formula:Ba3(H6Ir)2,spaceGroup:P-3m1,id:mp-643047} |
| RD_563906380266_000 | computation | Reference Data From Materials Project: {formula:Ba5Er8Zn4O21,spaceGroup:I4/m,id:mp-6416} |
| RD_564723212898_000 | computation | Reference Data From Materials Project: {formula:BaNaH3Pd,spaceGroup:P6_3/mmc,id:mp-862693} |
| RD_564806956228_000 | computation | Reference Data From Materials Project: {formula:Ba9(NdS6)2,spaceGroup:C2/m,id:mp-673874} |
| RD_566256123860_000 | computation | Reference Data From Materials Project: {formula:BaTi18Mn3O38,spaceGroup:R-3,id:mp-19502} |
| RD_567211945900_000 | computation | Reference Data From Materials Project: {formula:BaSrLaBiO6,spaceGroup:F-43m,id:mp-40802} |
| RD_567571725195_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_568447938365_000 | computation | Reference Data From Materials Project: {formula:Ba3CuRu2O9,spaceGroup:Cmcm,id:mp-22472} |
| RD_568788072207_000 | computation | Reference Data From Materials Project: {formula:Ba2NdSbO6,spaceGroup:Fm-3m,id:mp-14292} |
| RD_568947875104_000 | computation | Reference Data From Materials Project: {formula:Ba2FeReO6,spaceGroup:Fm-3m,id:mp-31756} |
| RD_568979361166_000 | computation | Reference Data From Materials Project: {formula:BaGe2S5,spaceGroup:Fd-3m,id:mp-28710} |
| RD_569373890776_000 | computation | Reference Data From Materials Project: {formula:BaHfMo,spaceGroup:F-43m,id:mp-631521} |
| RD_569403011025_000 | computation | Reference Data From Materials Project: {formula:Ba3SiS5,spaceGroup:Pcmn,id:mp-27805} |
| RD_569595519705_000 | computation | Reference Data From Materials Project: {formula:BaMoO3,spaceGroup:Pm-3m,id:mp-19322} |
| RD_570277292427_000 | computation | Reference Data From Materials Project: {formula:Ba2LaC3O9F,spaceGroup:P2_1/m,id:mp-18111} |
| RD_570525144388_000 | computation | Reference Data From Materials Project: {formula:BaZnGeO4,spaceGroup:P6_3,id:mp-757722} |
| RD_570750527963_000 | computation | Reference Data From Materials Project: {formula:Ba21(Cd2Sb9)2,spaceGroup:Ccme,id:mp-684034} |
| RD_570876647249_000 | computation | Reference Data From Materials Project: {formula:BaCr4S7,spaceGroup:P2_1/c,id:mp-557882} |
| RD_571125588904_000 | computation | Reference Data From Materials Project: {formula:Ba3V4PbO14,spaceGroup:P-1,id:mp-566043} |
| RD_571243103285_000 | computation | Reference Data From Materials Project: {formula:Ba3Te2O9,spaceGroup:P6_3/mmc,id:mp-17009} |
| RD_571271957544_000 | computation | Reference Data From Materials Project: {formula:BaTm2CoO5,spaceGroup:Pmcn,id:mp-541418} |
| RD_571589024490_000 | computation | Reference Data From Materials Project: {formula:Ba2LiSi3,spaceGroup:Fddd,id:mp-15521} |
| RD_571695060794_000 | computation | Reference Data From Materials Project: {formula:Ba2ZrS4,spaceGroup:I4/mmm,id:mp-3813} |
| RD_571814765956_000 | computation | Reference Data From Materials Project: {formula:KBaSn,spaceGroup:F-43m,id:mp-962073} |
| RD_572170047484_000 | computation | Reference Data From Materials Project: {formula:KBa4Bi3O,spaceGroup:I4/mcm,id:mp-23571} |
| RD_572696751627_000 | computation | Reference Data From Materials Project: {formula:KBaNbS4,spaceGroup:Pmnb,id:mp-16780} |
| RD_572807984835_000 | computation | Reference Data From Materials Project: {formula:Ba8Ce3(SbO6)4,spaceGroup:I4/mmm,id:mp-561045} |
| RD_573051980716_000 | computation | Reference Data From Materials Project: {formula:Ba6NaCu3Te14,spaceGroup:P6_3/mcm,id:mp-569168} |
| RD_573061559845_000 | computation | Reference Data From Materials Project: {formula:BaY3F11,spaceGroup:Pbmm,id:mp-778080} |
| RD_573167109517_000 | computation | Reference Data From Materials Project: {formula:Ba2TiO4,spaceGroup:P2_1/c,id:mp-3397} |
| RD_573290833107_000 | computation | Reference Data From Materials Project: {formula:BaPaO3,spaceGroup:Pm-3m,id:mp-8557} |
| RD_574140961837_000 | computation | Reference Data From Materials Project: {formula:Ba2SmSbO6,spaceGroup:Fm-3m,id:mp-6037} |
| RD_574351261005_000 | computation | Reference Data From Materials Project: {formula:BaTaS3,spaceGroup:P6_3/mmc,id:mp-4001} |
| RD_574542711316_000 | computation | Reference Data From Materials Project: {formula:Ba(AlSi)2,spaceGroup:I4/mmm,id:mp-12863} |
| RD_574590661357_000 | computation | Reference Data From Materials Project: {formula:Ba,spaceGroup:I4/mcm,id:mp-570384} |
| RD_574694236646_000 | computation | Reference Data From Materials Project: {formula:Ba,spaceGroup:Im-3m,id:mp-122} |
| RD_574710608163_000 | computation | Reference Data From Materials Project: {formula:Ba2YCl7,spaceGroup:P2_1/c,id:mp-768973} |
| RD_574800715853_000 | computation | Reference Data From Materials Project: {formula:Ba2MnSe3,spaceGroup:Pmnb,id:mp-18513} |
| RD_574851297428_000 | computation | Reference Data From Materials Project: {formula:Ba(CeS2)2,spaceGroup:I-42d,id:mp-38417} |
| RD_574879900683_000 | computation | Reference Data From Materials Project: {formula:BaAgAs,spaceGroup:P6_3/mmc,id:mp-7359} |
| RD_574912210847_000 | computation | Reference Data From Materials Project: {formula:BaIrO3,spaceGroup:Pm-3m,id:mp-5660} |
| RD_575839288834_000 | computation | Reference Data From Materials Project: {formula:BaTl2,spaceGroup:P6_3/mmc,id:mp-30434} |
| RD_576132168418_000 | computation | Reference Data From Materials Project: {formula:BaLiSb,spaceGroup:P6_3/mmc,id:mp-10485} |
| RD_576414089960_000 | computation | Reference Data From Materials Project: {formula:BaCa(CO3)2,spaceGroup:P321,id:mp-556458} |
| RD_576708697383_000 | computation | Reference Data From Materials Project: {formula:Ba5Sm8Mn4O21,spaceGroup:I4/m,id:mp-19471} |
| RD_577080949990_000 | computation | Reference Data From Materials Project: {formula:BaSn5,spaceGroup:P6/mmm,id:mp-571353} |
| RD_577164276466_000 | computation | Reference Data From Materials Project: {formula:Ba2(Ni3B2)3,spaceGroup:R-3c,id:mp-29219} |
| RD_577644894636_000 | computation | Reference Data From Materials Project: {formula:BaNb7(P2O11)3,spaceGroup:P-31c,id:mp-555620} |
| RD_578534776490_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P2_1/c,id:mp-753716} |
| RD_579026680823_000 | computation | Reference Data From Materials Project: {formula:Ba3Er2(PS4)4,spaceGroup:Pbna,id:mp-560534} |
| RD_579347075501_000 | computation | Reference Data From Materials Project: {formula:BaTl2O4,spaceGroup:Cmcm,id:mp-755315} |
| RD_579347464266_000 | computation | Reference Data From Materials Project: {formula:BaFe4O7,spaceGroup:P6_3/m,id:mp-540567} |
| RD_579605697853_000 | computation | Reference Data From Materials Project: {formula:BaGdAuSe3,spaceGroup:Cmcm,id:mp-19942} |
| RD_580163650041_000 | computation | Reference Data From Materials Project: {formula:TbBa2SbO6,spaceGroup:Fm-3m,id:mp-6265} |
| RD_580623159896_000 | computation | Reference Data From Materials Project: {formula:BaPrO3,spaceGroup:R-3c,id:mp-6910} |
| RD_580787878877_000 | computation | Reference Data From Materials Project: {formula:BaV2CuO7,spaceGroup:Pmcn,id:mp-561453} |
| RD_581568096857_000 | computation | Reference Data From Materials Project: {formula:BaH2N2O5,spaceGroup:P6_1,id:mp-541221} |
| RD_581886023802_000 | computation | Reference Data From Materials Project: {formula:BaNaZrF7,spaceGroup:Pmnb,id:mp-560732} |
| RD_582259066768_000 | computation | Reference Data From Materials Project: {formula:BaAsHO4,spaceGroup:Pbca,id:mp-23810} |
| RD_582721415554_000 | computation | Reference Data From Materials Project: {formula:Ba2MgWO6,spaceGroup:Fm-3m,id:mp-18986} |
| RD_582769508392_000 | computation | Reference Data From Materials Project: {formula:Ba(Ge3Pt)4,spaceGroup:Im3,id:mp-642304} |
| RD_582837685621_000 | computation | Reference Data From Materials Project: {formula:Ba4Ti12O27,spaceGroup:C2/m,id:mp-15761} |
| RD_582985188329_000 | computation | Reference Data From Materials Project: {formula:BaGa2,spaceGroup:P6/mmm,id:mp-1219} |
| RD_583393020789_000 | computation | Reference Data From Materials Project: {formula:BaSmC2O6F,spaceGroup:R-3m,id:mp-15073} |
| RD_584137816013_000 | computation | Reference Data From Materials Project: {formula:BaZn2,spaceGroup:Imcm,id:mp-30435} |
| RD_584887110538_000 | computation | Reference Data From Materials Project: {formula:Ba4LiCu(CO5)2,spaceGroup:I-42m,id:mp-15472} |
| RD_585303235868_000 | computation | Reference Data From Materials Project: {formula:Ba2Er(CuO2)4,spaceGroup:Cmmm,id:mp-6583} |
| RD_585371036974_000 | computation | Reference Data From Materials Project: {formula:Ba25(Bi5O18)3,spaceGroup:Cm,id:mp-685509} |
| RD_585551989180_000 | computation | Reference Data From Materials Project: {formula:BaTa4O11,spaceGroup:P6_322,id:mp-769399} |
| RD_585902879381_000 | computation | Reference Data From Materials Project: {formula:Ba2B2O5,spaceGroup:P2_1/c,id:mp-771174} |
| RD_586252771730_000 | computation | Reference Data From Materials Project: {formula:Ba3NbGa3(SiO7)2,spaceGroup:P321,id:mp-12881} |
| RD_586375250340_000 | computation | Reference Data From Materials Project: {formula:BaCe2O4,spaceGroup:Pnma,id:mp-778873} |
| RD_587373126992_000 | computation | Reference Data From Materials Project: {formula:Ba(Cu2P)4,spaceGroup:I4/m,id:mp-14785} |
| RD_587612437845_000 | computation | Reference Data From Materials Project: {formula:Ba4Zr(RuO4)3,spaceGroup:R-3m,id:mp-6716} |
| RD_587907525024_000 | computation | Reference Data From Materials Project: {formula:Ba3Nb16O23,spaceGroup:Cmmm,id:mp-5360} |
| RD_588051326695_000 | computation | Reference Data From Materials Project: {formula:Ba2Y(CuO2)4,spaceGroup:Cmmm,id:mp-20509} |
| RD_588455555133_000 | computation | Reference Data From Materials Project: {formula:BaMnSnS4,spaceGroup:F2dd,id:mp-540651} |
| RD_588826732061_000 | computation | Reference Data From Materials Project: {formula:BaMnO3,spaceGroup:R-3m,id:mp-690129} |
| RD_588863219027_000 | computation | Reference Data From Materials Project: {formula:BaNaNd(SiO3)3,spaceGroup:P2_12_12_1,id:mp-13791} |
| RD_589105801737_000 | computation | Reference Data From Materials Project: {formula:Ba4Bi3,spaceGroup:I-43d,id:mp-30892} |
| RD_589131835840_000 | computation | Reference Data From Materials Project: {formula:Ba(MgP)2,spaceGroup:P-3m1,id:mp-8278} |
| RD_589744850720_000 | computation | Reference Data From Materials Project: {formula:Ba2La2Mn(WO6)2,spaceGroup:R-3m,id:mp-566048} |
| RD_589774192201_000 | computation | Reference Data From Materials Project: {formula:Ba3MoN4,spaceGroup:P31c,id:mp-629082} |
| RD_589934099700_000 | computation | Reference Data From Materials Project: {formula:BaI2,spaceGroup:Pmnb,id:mp-23260} |
| RD_590114733536_000 | computation | Reference Data From Materials Project: {formula:Ba(AgTe)2,spaceGroup:Pmnb,id:mp-18501} |
| RD_590236046596_000 | computation | Reference Data From Materials Project: {formula:Ba6Ca6Tl5Cu9O29,spaceGroup:P4/mmm,id:mp-680433} |
| RD_590800709557_000 | computation | Reference Data From Materials Project: {formula:BaCo2(AsO4)2,spaceGroup:P-1,id:mp-554725} |
| RD_590853331710_000 | computation | Reference Data From Materials Project: {formula:Ba6Mg7F26,spaceGroup:Immm,id:mp-18549} |
| RD_590945766676_000 | computation | Reference Data From Materials Project: {formula:Ba2SnS4,spaceGroup:Pc2_1n,id:mp-540689} |
| RD_591056312492_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_591139523279_000 | computation | Reference Data From Materials Project: {formula:Ba(TmTe2)2,spaceGroup:Pmnb,id:mp-18196} |
| RD_591169688477_000 | computation | Reference Data From Materials Project: {formula:Ba7Ru4Cl2O15,spaceGroup:R-3m,id:mp-554143} |
| RD_591219299411_000 | computation | Reference Data From Materials Project: {formula:BaCdSnS4,spaceGroup:F2dd,id:mp-12306} |
| RD_591451062459_000 | computation | Reference Data From Materials Project: {formula:Ba2BiSbO6,spaceGroup:Fm-3m,id:mp-545603} |
| RD_591456423466_000 | computation | Reference Data From Materials Project: {formula:EuBaFe2O5,spaceGroup:P4/mmm,id:mp-656144} |
| RD_591721727719_000 | computation | Reference Data From Materials Project: {formula:Ba(PIr)2,spaceGroup:I4/mmm,id:mp-11169} |
| RD_591879469174_000 | computation | Reference Data From Materials Project: {formula:Ba2LuIrO6,spaceGroup:Fm-3m,id:mp-22594} |
| RD_592023873035_000 | computation | Reference Data From Materials Project: {formula:BaLiH3,spaceGroup:Pm-3m,id:mp-632808} |
| RD_592093623850_000 | computation | Reference Data From Materials Project: {formula:BaMn2O8,spaceGroup:Fddd,id:mp-566245} |
| RD_592243267768_000 | computation | Reference Data From Materials Project: {formula:BaB6,spaceGroup:Pm-3m,id:mp-954} |
| RD_592794633983_000 | computation | Reference Data From Materials Project: {formula:Ba5B4O11,spaceGroup:P2_12_12_1,id:mp-3974} |
| RD_592866000600_000 | computation | Reference Data From Materials Project: {formula:BaZnCl4,spaceGroup:Pnan,id:mp-23373} |
| RD_593024333085_000 | computation | Reference Data From Materials Project: {formula:Tb8Ba16Nb5(SnO16)3,spaceGroup:P4,id:mp-677468} |
| RD_593173028976_000 | computation | Reference Data From Materials Project: {formula:Ba14Na8CaN6,spaceGroup:P6_3/m,id:mp-777942} |
| RD_593231338811_000 | computation | Reference Data From Materials Project: {formula:Ba3LiTi5(SbO7)3,spaceGroup:Ccm2_1,id:mp-766108} |
| RD_593449826506_000 | computation | Reference Data From Materials Project: {formula:Ba2Lu(CuO2)3,spaceGroup:P4/mmm,id:mp-21868} |
| RD_593488376455_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P2_1/c,id:mp-766343} |
| RD_593555514244_000 | computation | Reference Data From Materials Project: {formula:BaZnPb,spaceGroup:P6_3/mmc,id:mp-510311} |
| RD_593606726548_000 | computation | Reference Data From Materials Project: {formula:Ba6YCl15,spaceGroup:C2/c,id:mp-777883} |
| RD_593613956282_000 | computation | Reference Data From Materials Project: {formula:BaAl2Sb2O7,spaceGroup:R32,id:mp-12885} |
| RD_594424435046_000 | computation | Reference Data From Materials Project: {formula:Ba(FeBr4)2,spaceGroup:Pcab,id:mp-568396} |
| RD_594581269750_000 | computation | Reference Data From Materials Project: {formula:Ba2NdRuO6,spaceGroup:Fm-3m,id:mp-545735} |
| RD_594586606994_000 | computation | Reference Data From Materials Project: {formula:Ba7SiB3NO13,spaceGroup:P6_3,id:mp-695708} |
| RD_595307494057_000 | computation | Reference Data From Materials Project: {formula:BaYCo4O7,spaceGroup:P6_3mc,id:mp-19151} |
| RD_595698602221_000 | computation | Reference Data From Materials Project: {formula:Ba(SbS2)2,spaceGroup:P2_1/c,id:mp-28129} |
| RD_596083505340_000 | computation | Reference Data From Materials Project: {formula:BaNa(B3O5)3,spaceGroup:R3c,id:mp-17864} |
| RD_596760149984_000 | computation | Reference Data From Materials Project: {formula:Ba2TaBiO6,spaceGroup:Fm-3m,id:mp-552200} |
| RD_596826850611_000 | computation | Reference Data From Materials Project: {formula:BaGeO3,spaceGroup:P1,id:mp-676865} |
| RD_597159939298_000 | computation | Reference Data From Materials Project: {formula:BaSiO3,spaceGroup:R-3m,id:mp-12958} |
| RD_597188069945_000 | computation | Reference Data From Materials Project: {formula:Ba2TlCuHgO5,spaceGroup:I4mm,id:mp-619126} |
| RD_597343193894_000 | computation | Reference Data From Materials Project: {formula:Ba3NaN,spaceGroup:P6_3/mmc,id:mp-8868} |
| RD_597669424290_000 | computation | Reference Data From Materials Project: {formula:BaNaHg2,spaceGroup:Fm-3m,id:mp-867147} |
| RD_597745448887_000 | computation | Reference Data From Materials Project: {formula:Yb2BaNiO5,spaceGroup:Immm,id:mp-18752} |
| RD_598066288423_000 | computation | Reference Data From Materials Project: {formula:Ba3CaIr2O9,spaceGroup:C2/c,id:mp-17448} |
| RD_598073388884_000 | computation | Reference Data From Materials Project: {formula:BaFeF4,spaceGroup:Ccm2_1,id:mp-554451} |
| RD_598377400960_000 | computation | Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:P-31m,id:mp-754196} |
| RD_599312891173_000 | computation | Reference Data From Materials Project: {formula:BaH2(SO4)2,spaceGroup:P2_12_12_1,id:mp-703568} |
| RD_599312972432_000 | computation | Reference Data From Materials Project: {formula:Ba5Tm8Zn4O21,spaceGroup:I4/m,id:mp-6054} |
| RD_599449924691_000 | computation | Reference Data From Materials Project: {formula:Ba6Ru2Pt(ClO6)2,spaceGroup:P-3m1,id:mp-554949} |
| RD_599942823462_000 | computation | Reference Data From Materials Project: {formula:BaLaCl5,spaceGroup:P2_1/c,id:mp-772063} |
| RD_599959270339_000 | computation | Reference Data From Materials Project: {formula:Ba2V(CuS2)3,spaceGroup:C2/c,id:mp-560493} |
| RD_599969821899_000 | computation | Reference Data From Materials Project: {formula:KBa2Re,spaceGroup:F-43m,id:mp-631513} |
| RD_600042341450_000 | computation | Reference Data From Materials Project: {formula:BaNb4O6,spaceGroup:P4/mmm,id:mp-505517} |
| RD_600444001658_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:C2/c,id:mp-753709} |
| RD_600899044055_000 | computation | Reference Data From Materials Project: {formula:Ba5Ga5Pb,spaceGroup:P-6m2,id:mp-605650} |
| RD_601518908373_000 | computation | Reference Data From Materials Project: {formula:BaBiO3,spaceGroup:Pm-3m,id:mp-545783} |
| RD_601531949961_000 | computation | Reference Data From Materials Project: {formula:Ba2SmMoO6,spaceGroup:Fm-3m,id:mp-19258} |
| RD_601567664528_000 | computation | Reference Data From Materials Project: {formula:BaWO4,spaceGroup:P2_1/m,id:mp-641366} |
| RD_601666964487_000 | computation | Reference Data From Materials Project: {formula:BaNaBi,spaceGroup:P-62m,id:mp-31235} |
| RD_601957873677_000 | computation | Reference Data From Materials Project: {formula:BaTi2O5,spaceGroup:C2/m,id:mp-3943} |
| RD_602656161764_000 | computation | Reference Data From Materials Project: {formula:RbBaPO4,spaceGroup:Pmnb,id:mp-17832} |
| RD_602804291493_000 | computation | Reference Data From Materials Project: {formula:BaZnP2O7,spaceGroup:P-1,id:mp-14345} |
| RD_603118289149_000 | computation | Reference Data From Materials Project: {formula:Ba3SbN,spaceGroup:P6_3/mmc,id:mp-12814} |
| RD_603358443664_000 | computation | Reference Data From Materials Project: {formula:BaPrO3,spaceGroup:Pm-3m,id:mp-4783} |
| RD_603472719516_000 | computation | Reference Data From Materials Project: {formula:BaCdBi2,spaceGroup:I4/mmm,id:mp-30426} |
| RD_603719684724_000 | computation | Reference Data From Materials Project: {formula:Ba3LiN,spaceGroup:P6_3/mmc,id:mp-13288} |
| RD_603746337764_000 | computation | Reference Data From Materials Project: {formula:BaPrO3,spaceGroup:Imma,id:mp-6909} |
| RD_604050983982_000 | computation | Reference Data From Materials Project: {formula:BaSi4O9,spaceGroup:P-6c2,id:mp-9478} |
| RD_604061297221_000 | computation | Reference Data From Materials Project: {formula:Ba6Ru3(ClO6)2,spaceGroup:P-3m1,id:mp-558595} |
| RD_604233698197_000 | computation | Reference Data From Materials Project: {formula:KBaB5O9,spaceGroup:P2_1/c,id:mp-557420} |
| RD_604955050958_000 | computation | Reference Data From Materials Project: {formula:BaCu6(GeS4)2,spaceGroup:Pbcm,id:mp-556714} |
| RD_605184578516_000 | computation | Reference Data From Materials Project: {formula:BaLaMgTaO6,spaceGroup:F-43m,id:mp-40251} |
| RD_606415011117_000 | computation | Reference Data From Materials Project: {formula:BaCaSiO4,spaceGroup:P6_3mc,id:mp-561050} |
| RD_606813190844_000 | computation | Reference Data From Materials Project: {formula:Ba2PrIrO6,spaceGroup:Fm-3m,id:mp-6135} |
| RD_606819576483_000 | computation | Reference Data From Materials Project: {formula:BaNiF6,spaceGroup:R-3m,id:mp-613910} |
| RD_607431009056_000 | computation | Reference Data From Materials Project: {formula:BaNa2Mg(PO4)2,spaceGroup:P-3,id:mp-861906} |
| RD_607432807603_000 | computation | Reference Data From Materials Project: {formula:BaZnSi,spaceGroup:P6_3/mmc,id:mp-31147} |
| RD_607502834893_000 | computation | Reference Data From Materials Project: {formula:BaLi2NiO3,spaceGroup:P2_1/c,id:mp-777137} |
| RD_607536812487_000 | computation | Reference Data From Materials Project: {formula:Ba2MgReO6,spaceGroup:Fm-3m,id:mp-22441} |
| RD_608553691245_000 | computation | Reference Data From Materials Project: {formula:Ba4Lu6O13,spaceGroup:P1,id:mp-772740} |
| RD_609219534484_000 | computation | Reference Data From Materials Project: {formula:BaVS3,spaceGroup:C222_1,id:mp-555857} |
| RD_609386596624_000 | computation | Reference Data From Materials Project: {formula:Ba11(CdSb2)6,spaceGroup:C2/m,id:mp-570121} |
| RD_609411876337_000 | computation | Reference Data From Materials Project: {formula:Ba2Nd2Si4O13,spaceGroup:P-1,id:mp-561462} |
| RD_609589787875_000 | computation | Reference Data From Materials Project: {formula:Ba3SnO,spaceGroup:Pm-3m,id:mp-29243} |
| RD_609644212819_000 | computation | Reference Data From Materials Project: {formula:Ba8Mn8O23,spaceGroup:C2mm,id:mp-764369} |
| RD_609886737371_000 | computation | Reference Data From Materials Project: {formula:Ba5Os3NO18,spaceGroup:P6_3cm,id:mp-628618} |
| RD_610474865790_000 | computation | Reference Data From Materials Project: {formula:BaAl9Ni2,spaceGroup:P6/mmm,id:mp-12549} |
| RD_611247617522_000 | computation | Reference Data From Materials Project: {formula:BaNi9As5,spaceGroup:P6_3/mmc,id:mp-540991} |
| RD_611646571135_000 | computation | Reference Data From Materials Project: {formula:Ba(C2N3)2,spaceGroup:Pmcn,id:mp-669448} |
| RD_611767403104_000 | computation | Reference Data From Materials Project: {formula:BaHoCo4O7,spaceGroup:P6_3mc,id:mp-19620} |
| RD_612241739060_000 | computation | Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:Ia3,id:mp-752450} |
| RD_612401265802_000 | computation | Reference Data From Materials Project: {formula:Ba2NiF6,spaceGroup:I4/mmm,id:mp-556041} |
| RD_612737926383_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:P2_1/c,id:mp-766349} |
| RD_612953534031_000 | computation | Reference Data From Materials Project: {formula:BaAg(PO3)3,spaceGroup:P2_12_12_1,id:mp-10070} |
| RD_613137603045_000 | computation | Reference Data From Materials Project: {formula:Ba13Nb14O42,spaceGroup:P-1,id:mp-757571} |
| RD_613182901775_000 | computation | Reference Data From Materials Project: {formula:Ba3CaIr2O9,spaceGroup:P-3m1,id:mp-13369} |
| RD_613259459607_000 | computation | Reference Data From Materials Project: {formula:BaAgSb,spaceGroup:P6_3/mmc,id:mp-11213} |
| RD_613538713173_000 | computation | Reference Data From Materials Project: {formula:Ba2N,spaceGroup:R-3m,id:mp-1892} |
| RD_613736738281_000 | computation | Reference Data From Materials Project: {formula:Ba2Nb5O9,spaceGroup:P4/mmm,id:mp-19796} |
| RD_614168038123_000 | computation | Reference Data From Materials Project: {formula:Ba2PPd2,spaceGroup:Pbnm,id:mp-685613} |
| RD_614242569123_000 | computation | Reference Data From Materials Project: {formula:Ba2InIrO6,spaceGroup:P-3m1,id:mp-638553} |
| RD_614333625475_000 | computation | Reference Data From Materials Project: {formula:Ba8Bi4O17,spaceGroup:Cm,id:mp-765612} |
| RD_615203605571_000 | computation | Reference Data From Materials Project: {formula:KBaPSe4,spaceGroup:Pmcn,id:mp-18156} |
| RD_615590219629_000 | computation | Reference Data From Materials Project: {formula:Ba(BIr)2,spaceGroup:I4/mmm,id:mp-12073} |
| RD_616060920550_000 | computation | Reference Data From Materials Project: {formula:BaPS3,spaceGroup:P2_1/c,id:mp-11006} |
| RD_616222824647_000 | computation | Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:P-62m,id:mp-760418} |
| RD_616403578382_000 | computation | Reference Data From Materials Project: {formula:RbBaTaS4,spaceGroup:Pnma,id:mp-867884} |
| RD_616416660363_000 | computation | Reference Data From Materials Project: {formula:Ba2PrRuO6,spaceGroup:Fm-3m,id:mp-12912} |
| RD_616819573849_000 | computation | Reference Data From Materials Project: {formula:BaUI6,spaceGroup:Cc,id:mp-574430} |
| RD_617259104253_000 | computation | Reference Data From Materials Project: {formula:Ba14Y7(Cu10O21)2,spaceGroup:P1,id:mp-774710} |
| RD_617300930863_000 | computation | Reference Data From Materials Project: {formula:BaPr(CoO3)2,spaceGroup:P4/mmm,id:mp-24856} |
| RD_617375999463_000 | computation | Reference Data From Materials Project: {formula:BaGe2,spaceGroup:Pmnb,id:mp-2139} |
| RD_617614591847_000 | computation | Reference Data From Materials Project: {formula:Ba2CuF6,spaceGroup:Ccme,id:mp-3879} |
| RD_618276744996_000 | computation | Reference Data From Materials Project: {formula:Ba(H2O3)2,spaceGroup:P1,id:mp-626015} |
| RD_618308204118_000 | computation | Reference Data From Materials Project: {formula:Ba(CuAs)2,spaceGroup:I4/mmm,id:mp-9247} |
| RD_619527638978_000 | computation | Reference Data From Materials Project: {formula:BaAl2O4,spaceGroup:P6_322,id:mp-619456} |
| RD_619884476950_000 | computation | Reference Data From Materials Project: {formula:Ba3FeO5,spaceGroup:Pcmn,id:mp-505787} |
| RD_619915029667_000 | computation | Reference Data From Materials Project: {formula:BaCuO2,spaceGroup:P2_12_12,id:mp-755472} |
| RD_620465179737_000 | computation | Reference Data From Materials Project: {formula:Ba4Li4Ti19O44,spaceGroup:P1,id:mp-768185} |
| RD_620770034285_000 | computation | Reference Data From Materials Project: {formula:Ba9La3Mg5Nb7O36,spaceGroup:Pm2m,id:mp-695214} |
| RD_622099532300_000 | computation | Reference Data From Materials Project: {formula:Ba5Er2ZrAl2O13,spaceGroup:P6_3/mmc,id:mp-558566} |
| RD_622240571520_000 | computation | Reference Data From Materials Project: {formula:Ba5Re3O16,spaceGroup:P6_3cm,id:mp-698206} |
| RD_622283961510_000 | computation | Reference Data From Materials Project: {formula:BaCaSn3,spaceGroup:Cmce,id:mp-583645} |
| RD_622533889555_000 | computation | Reference Data From Materials Project: {formula:Ba3LaCl9,spaceGroup:Pc,id:mp-771948} |
| RD_622756898742_000 | computation | Reference Data From Materials Project: {formula:Ba2YF7,spaceGroup:Pnma,id:mp-768369} |
| RD_622774456609_000 | computation | Reference Data From Materials Project: {formula:BaTi14O28,spaceGroup:P-1,id:mp-757751} |
| RD_623113969120_000 | computation | Reference Data From Materials Project: {formula:Ba4La2Ti3Nb2O18,spaceGroup:R-3m,id:mp-684815} |
| RD_623186051790_000 | computation | Reference Data From Materials Project: {formula:Ba2SmCu3O7,spaceGroup:Pmmm,id:mp-21451} |
| RD_623254191138_000 | computation | Reference Data From Materials Project: {formula:BaCrO3,spaceGroup:P6_3/mmc,id:mp-562041} |
| RD_623274219764_000 | computation | Reference Data From Materials Project: {formula:Ba8(Bi2O7)3,spaceGroup:P-1,id:mp-867542} |
| RD_623607404662_000 | computation | Reference Data From Materials Project: {formula:Ba2GdSbO6,spaceGroup:Fm-3m,id:mp-608408} |
| RD_623778315500_000 | computation | Reference Data From Materials Project: {formula:BaZnPb,spaceGroup:P6_3/mmc,id:mp-510311} |
| RD_624690415579_000 | computation | Reference Data From Materials Project: {formula:Ba9Cu7Cl2O15,spaceGroup:P6/mmm,id:mp-559813} |
| RD_624806059240_000 | computation | Reference Data From Materials Project: {formula:Ba4Nb2(OF4)3,spaceGroup:C2/c,id:mp-558153} |
| RD_624888216070_000 | computation | Reference Data From Materials Project: {formula:BaSe,spaceGroup:Fm-3m,id:mp-1253} |
| RD_625075881946_000 | computation | Reference Data From Materials Project: {formula:BaYF5,spaceGroup:P-1,id:mp-778071} |
| RD_625119208675_000 | computation | Reference Data From Materials Project: {formula:Ba4Na2CaTi3Si4(SO13)2,spaceGroup:P1,id:mp-561052} |
| RD_625446192387_000 | computation | Reference Data From Materials Project: {formula:BaSiO3,spaceGroup:P6_3/mmc,id:mp-18407} |
| RD_625710708288_000 | computation | Reference Data From Materials Project: {formula:Ba4Ag3Ge20,spaceGroup:Pm-3n,id:mp-570662} |
| RD_625938761706_000 | computation | Reference Data From Materials Project: {formula:BaVClO3,spaceGroup:Pmcn,id:mp-566321} |
| RD_626121699072_000 | computation | Reference Data From Materials Project: {formula:BaCa(GaO2)4,spaceGroup:I2mm,id:mp-561446} |
| RD_626295082735_000 | computation | Reference Data From Materials Project: {formula:Ba3NiSb2O9,spaceGroup:P6_3mc,id:mp-19691} |
| RD_626510357215_000 | computation | Reference Data From Materials Project: {formula:Ba3LaI9,spaceGroup:Pc,id:mp-772034} |
| RD_626701229375_000 | computation | Reference Data From Materials Project: {formula:BaNa4O3,spaceGroup:Cc,id:mp-756084} |
| RD_626978787176_000 | computation | Reference Data From Materials Project: {formula:BaVPO6,spaceGroup:P2_1/c,id:mp-25157} |
| RD_627670515764_000 | computation | Reference Data From Materials Project: {formula:Ba6Zn(InCl10)2,spaceGroup:P2_1/c,id:mp-569635} |
| RD_627747617596_000 | computation | Reference Data From Materials Project: {formula:BaNb8O14,spaceGroup:Ccm2_1,id:mp-757688} |
| RD_628046156633_000 | computation | Reference Data From Materials Project: {formula:Ba17Tm16Zn8Pt4O57,spaceGroup:I4/m,id:mp-557741} |
| RD_628101145450_000 | computation | Reference Data From Materials Project: {formula:BaThO3,spaceGroup:Pm-3m,id:mp-8037} |
| RD_628289374761_000 | computation | Reference Data From Materials Project: {formula:BaTi10O20,spaceGroup:P-1,id:mp-766314} |
| RD_629117493891_000 | computation | Reference Data From Materials Project: {formula:BaY2PdO5,spaceGroup:P4/mbm,id:mp-9656} |
| RD_629837131865_000 | computation | Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:C2/c,id:mp-754408} |
| RD_629843422383_000 | computation | Reference Data From Materials Project: {formula:BaCa(FeO2)4,spaceGroup:P-31m,id:mp-18950} |
| RD_629914657082_000 | computation | Reference Data From Materials Project: {formula:BaP4O11,spaceGroup:P2_1/c,id:mp-779413} |
| RD_630198533197_000 | computation | Reference Data From Materials Project: {formula:Ba(NdS2)2,spaceGroup:Pnma,id:mp-866306} |
| RD_630538859424_000 | computation | Reference Data From Materials Project: {formula:Ba2MgO3,spaceGroup:C2/c,id:mp-779511} |
| RD_631164686322_000 | computation | Reference Data From Materials Project: {formula:BaCu2GeS4,spaceGroup:P3_121,id:mp-17947} |
| RD_631628978551_000 | computation | Reference Data From Materials Project: {formula:Ba5Y3Br19,spaceGroup:P-1,id:mp-868000} |
| RD_631661311417_000 | computation | Reference Data From Materials Project: {formula:BaMoO4,spaceGroup:I4_1/a,id:mp-19276} |
| RD_631678300373_000 | computation | Reference Data From Materials Project: {formula:Ba(CuSe)2,spaceGroup:Pmnb,id:mp-4473} |
| RD_631692121960_000 | computation | Reference Data From Materials Project: {formula:Ba2YRuO6,spaceGroup:Fm-3m,id:mp-6428} |
| RD_632486107139_000 | computation | Reference Data From Materials Project: {formula:BaCeI4,spaceGroup:C2/c,id:mp-569380} |
| RD_632646716599_000 | computation | Reference Data From Materials Project: {formula:Ba3Fe3O8,spaceGroup:Cm2m,id:mp-767152} |
| RD_632652393612_000 | computation | Reference Data From Materials Project: {formula:Ba6Mg11F34,spaceGroup:P-1,id:mp-30942} |
| RD_632895062880_000 | computation | Reference Data From Materials Project: {formula:BaY2F8,spaceGroup:I-4,id:mp-768222} |
| RD_633008644522_000 | computation | Reference Data From Materials Project: {formula:BaMg(CO3)2,spaceGroup:R-3m,id:mp-6504} |
| RD_633263495264_000 | computation | Reference Data From Materials Project: {formula:KBaP,spaceGroup:F-43m,id:mp-961648} |
| RD_633398140557_000 | computation | Reference Data From Materials Project: {formula:Ba3(BrO)2,spaceGroup:P2_1/c,id:mp-771008} |
| RD_633707821280_000 | computation | Reference Data From Materials Project: {formula:Ba4TiP4,spaceGroup:P-43n,id:mp-15502} |
| RD_633802037758_000 | computation | Reference Data From Materials Project: {formula:BaLiBS3,spaceGroup:P2_1/c,id:mp-554076} |
| RD_634337595222_000 | computation | Reference Data From Materials Project: {formula:BaLaAlO4,spaceGroup:P2_12_12_1,id:mp-16934} |
| RD_634522694763_000 | computation | Reference Data From Materials Project: {formula:Ba4SiP4,spaceGroup:P-43n,id:mp-14214} |
| RD_634724636806_000 | computation | Reference Data From Materials Project: {formula:Ba2Mg17,spaceGroup:R-3m,id:mp-1813} |
| RD_634751245209_000 | computation | Reference Data From Materials Project: {formula:Ba2LaSbO6,spaceGroup:P2_1/c,id:mp-556375} |
| RD_634876470093_000 | computation | Reference Data From Materials Project: {formula:Ba2In2Se5,spaceGroup:Pcab,id:mp-573635} |
| RD_635671613018_000 | computation | Reference Data From Materials Project: {formula:BaCa2(SiO3)3,spaceGroup:P-1,id:mp-18216} |
| RD_636369417100_000 | computation | Reference Data From Materials Project: {formula:Ba2Re6S11,spaceGroup:R-3c,id:mp-14406} |
| RD_636637703331_000 | computation | Reference Data From Materials Project: {formula:Ba2Sc2O5,spaceGroup:Pbam,id:mp-755950} |
| RD_636653372516_000 | computation | Reference Data From Materials Project: {formula:BaY2Cl8,spaceGroup:C2/c,id:mp-769044} |
| RD_637191340533_000 | computation | Reference Data From Materials Project: {formula:Ba5B3CNO9,spaceGroup:C222_1,id:mp-560326} |
| RD_637491274733_000 | computation | Reference Data From Materials Project: {formula:Ba4UCr2S9,spaceGroup:P321,id:mp-21686} |
| RD_637987811307_000 | computation | Reference Data From Materials Project: {formula:Ba3NaRu2O9,spaceGroup:P6_3/mmc,id:mp-542123} |
| RD_640173342338_000 | computation | Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:Pm-3m,id:mp-2998} |
| RD_640256622151_000 | computation | Reference Data From Materials Project: {formula:Ba6Nb14Si4O47,spaceGroup:P6_3cm,id:mp-560469} |
| RD_640293711063_000 | computation | Reference Data From Materials Project: {formula:BaBPO5,spaceGroup:P3_221,id:mp-6040} |
| RD_640462631438_000 | computation | Reference Data From Materials Project: {formula:Ba2Cu4Te4Cl4O11,spaceGroup:P-1,id:mp-561174} |
| RD_640651141484_000 | computation | Reference Data From Materials Project: {formula:TbBa3Ru2O9,spaceGroup:P6_3/mmc,id:mp-6345} |
| RD_640676295569_000 | computation | Reference Data From Materials Project: {formula:Ba2AlCu2F11,spaceGroup:P3_2,id:mp-561318} |
| RD_641205882210_000 | computation | Reference Data From Materials Project: {formula:Cs4Ba(PO3)6,spaceGroup:P31c,id:mp-560944} |
| RD_642063866116_000 | computation | Reference Data From Materials Project: {formula:Ba3MgSb2O9,spaceGroup:P6_3/mmc,id:mp-16978} |
| RD_642276864807_000 | computation | Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:C2mm,id:mp-5777} |
| RD_642302174703_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P321,id:mp-867953} |
| RD_642568612960_000 | computation | Reference Data From Materials Project: {formula:BaLa2CoS5,spaceGroup:I4/mcm,id:mp-22423} |
| RD_642696943868_000 | computation | Reference Data From Materials Project: {formula:Ba2Cu(PO3)6,spaceGroup:P2_1/c,id:mp-558012} |
| RD_642804069085_000 | computation | Reference Data From Materials Project: {formula:Ba2SmNbO6,spaceGroup:Fm-3m,id:mp-22184} |
| RD_643106450479_000 | computation | Reference Data From Materials Project: {formula:BaH2Cl2O,spaceGroup:Pnma,id:mp-642661} |
| RD_643274029457_000 | computation | Reference Data From Materials Project: {formula:Ba8Bi2F17,spaceGroup:R3m,id:mp-676105} |
| RD_643455927609_000 | computation | Reference Data From Materials Project: {formula:BaLi4,spaceGroup:P6_3/mmc,id:mp-210} |
| RD_643627914160_000 | computation | Reference Data From Materials Project: {formula:Ba3Y2F12,spaceGroup:P2_1/c,id:mp-778086} |
| RD_643640579619_000 | computation | Reference Data From Materials Project: {formula:Ba2Nd2Co4O11,spaceGroup:Pmmm,id:mp-24879} |
| RD_643810792011_000 | computation | Reference Data From Materials Project: {formula:Ba4Ce2O7,spaceGroup:Cmce,id:mp-770465} |
| RD_644974686524_000 | computation | Reference Data From Materials Project: {formula:Ba2LaRuO6,spaceGroup:R-3,id:mp-12911} |
| RD_645224138681_000 | computation | Reference Data From Materials Project: {formula:Ba2GdNbO6,spaceGroup:I4/m,id:mp-22531} |
| RD_645737701794_000 | computation | Reference Data From Materials Project: {formula:Ba3SiO,spaceGroup:Pm-3m,id:mp-754940} |
| RD_645803689214_000 | computation | Reference Data From Materials Project: {formula:BaV13O18,spaceGroup:P-1,id:mp-638002} |
| RD_645852341377_000 | computation | Reference Data From Materials Project: {formula:BaF2,spaceGroup:P6_3/mmc,id:mp-8644} |
| RD_646306054097_000 | computation | Reference Data From Materials Project: {formula:BaYF5,spaceGroup:P4/mmm,id:mp-778079} |
| RD_646387307357_000 | computation | Reference Data From Materials Project: {formula:Ba2CuWO6,spaceGroup:I4/m,id:mp-505618} |
| RD_646523272321_000 | computation | Reference Data From Materials Project: {formula:BaF2,spaceGroup:Pmnb,id:mp-555585} |
| RD_646768675308_000 | computation | Reference Data From Materials Project: {formula:K6Ba3Ta12(Si2O13)4,spaceGroup:Pm2m,id:mp-677080} |
| RD_646907340679_000 | computation | Reference Data From Materials Project: {formula:Ba3NaSi23,spaceGroup:Pm-3n,id:mp-18228} |
| RD_647211149264_000 | computation | Reference Data From Materials Project: {formula:BaSn(GeO3)3,spaceGroup:P-6c2,id:mp-540635} |
| RD_647658079506_000 | computation | Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:P321,id:mp-752671} |
| RD_647715334687_000 | computation | Reference Data From Materials Project: {formula:Ba6Na2As2Ru2O17,spaceGroup:P6_3/mmc,id:mp-554687} |
| RD_647839821006_000 | computation | Reference Data From Materials Project: {formula:BaH2CSNClO,spaceGroup:Pnma,id:mp-643643} |
| RD_648408084301_000 | computation | Reference Data From Materials Project: {formula:CsBa2Nb3O10,spaceGroup:P4/mmm,id:mp-505814} |
| RD_648593863459_000 | computation | Reference Data From Materials Project: {formula:Ba3Re2O9,spaceGroup:R-3m,id:mp-38972} |
| RD_648654294696_000 | computation | Reference Data From Materials Project: {formula:Ba2V4Cd3O15,spaceGroup:P2_12_12_1,id:mp-567038} |
| RD_648852176333_000 | computation | Reference Data From Materials Project: {formula:Ba(NdS2)2,spaceGroup:I-42d,id:mp-34459} |
| RD_648931773204_000 | computation | Reference Data From Materials Project: {formula:BaTi(BO3)2,spaceGroup:R-3,id:mp-11659} |
| RD_649760700047_000 | computation | Reference Data From Materials Project: {formula:Ba5Pt2O9,spaceGroup:P321,id:mp-29787} |
| RD_650126719684_000 | computation | Reference Data From Materials Project: {formula:Ba3YIr2O9,spaceGroup:P6_3mc,id:mp-540739} |
| RD_650176282802_000 | computation | Reference Data From Materials Project: {formula:Ba(NiP2)2,spaceGroup:Immm,id:mp-571420} |
| RD_650327637271_000 | computation | Reference Data From Materials Project: {formula:Yb8Ba5Ni4O21,spaceGroup:I4/m,id:mp-561879} |
| RD_650389564685_000 | computation | Reference Data From Materials Project: {formula:Ba5Cu4ClF17,spaceGroup:P-62m,id:mp-559141} |
| RD_650436055327_000 | computation | Reference Data From Materials Project: {formula:Ba4Al3Cu2F21,spaceGroup:P2_12_12_1,id:mp-553943} |
| RD_650664598206_000 | computation | Reference Data From Materials Project: {formula:BaZr2F10,spaceGroup:C2/c,id:mp-505400} |
| RD_651564292317_000 | computation | Reference Data From Materials Project: {formula:BaV10O15,spaceGroup:Cmce,id:mp-19458} |
| RD_652203142622_000 | computation | Reference Data From Materials Project: {formula:BaNd2BeO5,spaceGroup:P2_1/c,id:mp-17836} |
| RD_652264582559_000 | computation | Reference Data From Materials Project: {formula:YbBa2ReO6,spaceGroup:Fm-3m,id:mp-13935} |
| RD_652686683183_000 | computation | Reference Data From Materials Project: {formula:Ba2Cd3Bi4,spaceGroup:Ccme,id:mp-568744} |
| RD_653014633129_000 | computation | Reference Data From Materials Project: {formula:BaSbF5,spaceGroup:Pbcm,id:mp-18099} |
| RD_653046927724_000 | computation | Reference Data From Materials Project: {formula:Ba3P2,spaceGroup:I-42d,id:mp-32417} |
| RD_653090667809_000 | computation | Reference Data From Materials Project: {formula:Ba5Al2In2IrClO13,spaceGroup:P6_3/mmc,id:mp-559534} |
| RD_653236547943_000 | computation | Reference Data From Materials Project: {formula:Ba2La2MgTi3O12,spaceGroup:P-1,id:mp-695403} |
| RD_653782880177_000 | computation | Reference Data From Materials Project: {formula:Ba3Y(BO2)9,spaceGroup:P6_3/m,id:mp-559066} |
| RD_653857770405_000 | computation | Ba in AFLOW crystal prototype A_oC4_63_c. 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_654565887499_000 | computation | Reference Data From Materials Project: {formula:Ba5Ga5Sn,spaceGroup:P-6m2,id:mp-568967} |
| RD_654645799691_000 | computation | Reference Data From Materials Project: {formula:Yb2BaO4,spaceGroup:Pnam,id:mp-754422} |
| RD_654870237662_000 | computation | Reference Data From Materials Project: {formula:Ba3SiO,spaceGroup:Pm-3m,id:mp-754940} |
| RD_655079547789_000 | computation | Reference Data From Materials Project: {formula:Ba2Si2CuO7,spaceGroup:C2/c,id:mp-560805} |
| RD_655146843558_000 | computation | Reference Data From Materials Project: {formula:BaSi4CuO10,spaceGroup:P4/ncc,id:mp-6127} |
| RD_655157005810_000 | computation | Reference Data From Materials Project: {formula:YbBa4(CuO3)3,spaceGroup:Pm-3n,id:mp-653337} |
| RD_655462766604_000 | computation | Reference Data From Materials Project: {formula:BaZrO3,spaceGroup:Pm-3m,id:mp-3834} |
| RD_656014565557_000 | computation | Reference Data From Materials Project: {formula:K6Ba2CaU6O24,spaceGroup:Cmme,id:mp-691065} |
| RD_656414026872_000 | computation | Reference Data From Materials Project: {formula:Ba3NaTaO6,spaceGroup:R-3c,id:mp-8961} |
| RD_657156990100_000 | computation | Reference Data From Materials Project: {formula:BaLa2MnS5,spaceGroup:I4/mcm,id:mp-6770} |
| RD_657180677564_000 | computation | Reference Data From Materials Project: {formula:BaAl2O4,spaceGroup:P6_3,id:mp-4202} |
| RD_657388239009_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P4_2/mnm,id:mp-754572} |
| RD_657597952435_000 | computation | Reference Data From Materials Project: {formula:Ba4Al5,spaceGroup:P6_3/mmc,id:mp-2631} |
| RD_657621498319_000 | computation | Reference Data From Materials Project: {formula:BaGeO3,spaceGroup:P2_12_12_1,id:mp-13863} |
| RD_659191665159_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca(BO2)6,spaceGroup:R-3,id:mp-8271} |
| RD_659301308855_000 | computation | Reference Data From Materials Project: {formula:Ba3ZrRu2O9,spaceGroup:P6_3/mmc,id:mp-561170} |
| RD_659407827436_000 | computation | Reference Data From Materials Project: {formula:BaPb2C2(O3F)2,spaceGroup:R-3m,id:mp-560874} |
| RD_659450916816_000 | computation | Reference Data From Materials Project: {formula:Ba2GeAs2,spaceGroup:P2_1/c,id:mp-8195} |
| RD_659817653666_000 | computation | Reference Data From Materials Project: {formula:Ba4(PtO3)3,spaceGroup:P1,id:mp-757840} |
| RD_659947683692_000 | computation | Reference Data From Materials Project: {formula:BaEr2CoO5,spaceGroup:Pmcn,id:mp-25677} |
| RD_659975285198_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:P2_1/c,id:mp-766365} |
| RD_660222212751_000 | computation | Reference Data From Materials Project: {formula:Ba2Tl2CuO6,spaceGroup:I4/mmm,id:mp-550722} |
| RD_660333702761_000 | computation | Reference Data From Materials Project: {formula:Ba2Zn2ClF7,spaceGroup:P2_1/m,id:mp-555271} |
| RD_660391316029_000 | computation | Reference Data From Materials Project: {formula:BaMg2FeH8,spaceGroup:P-3m1,id:mp-643264} |
| RD_661395426134_000 | computation | Reference Data From Materials Project: {formula:Ba6Zn7F26,spaceGroup:C2/m,id:mp-31026} |
| RD_661452492753_000 | computation | Reference Data From Materials Project: {formula:BaAg8S5,spaceGroup:P2_1/m,id:mp-29682} |
| RD_662009879918_000 | computation | Reference Data From Materials Project: {formula:BaMnS2,spaceGroup:Pmnb,id:mp-8347} |
| RD_662493981909_000 | computation | Reference Data From Materials Project: {formula:Ba7Cu3H17,spaceGroup:P31c,id:mp-707874} |
| RD_663364720857_000 | computation | Reference Data From Materials Project: {formula:BaCe2FeS5,spaceGroup:I4/mcm,id:mp-16532} |
| RD_663466790773_000 | computation | Reference Data From Materials Project: {formula:BaCaRu2,spaceGroup:F-43m,id:mp-631512} |
| RD_663602805476_000 | computation | Reference Data From Materials Project: {formula:BaSr2I6,spaceGroup:P321,id:mp-752439} |
| RD_663603786435_000 | computation | Reference Data From Materials Project: {formula:Ba3SrTa2O9,spaceGroup:P-3m1,id:mp-7980} |
| RD_664078091369_000 | computation | Reference Data From Materials Project: {formula:Ba2UCoO6,spaceGroup:Fm-3m,id:mp-24858} |
| RD_664779616711_000 | computation | Reference Data From Materials Project: {formula:BaSr2Mn2(Si2O7)2,spaceGroup:C2,id:mp-19122} |
| RD_665587625627_000 | computation | Reference Data From Materials Project: {formula:Ba7Ca2Mn5O20,spaceGroup:R-3m,id:mp-687011} |
| RD_666055650627_000 | computation | Reference Data From Materials Project: {formula:BaCu2P2H2O9,spaceGroup:P2_12_12_1,id:mp-697156} |
| RD_666269725918_000 | computation | Reference Data From Materials Project: {formula:Ba2La6Mg4Ti3WO24,spaceGroup:C2/m,id:mp-744094} |
| RD_666318873639_000 | computation | Reference Data From Materials Project: {formula:BaSb2,spaceGroup:P2_1/m,id:mp-2196} |
| RD_666551963310_000 | computation | Reference Data From Materials Project: {formula:Ba(HO)2,spaceGroup:P2_1/c,id:mp-626973} |
| RD_666559787643_000 | computation | Reference Data From Materials Project: {formula:Ba3La2Br12,spaceGroup:P4/mbm,id:mp-771951} |
| RD_666582973264_000 | computation | Reference Data From Materials Project: {formula:BaGe2S5,spaceGroup:Fd-3m,id:mp-28710} |
| RD_666680203694_000 | computation | Reference Data From Materials Project: {formula:BaMn4O8,spaceGroup:I4/m,id:mp-541150} |
| RD_666687748021_000 | computation | Reference Data From Materials Project: {formula:BaCuSn2,spaceGroup:Cmcm,id:mp-5792} |
| RD_666755506282_000 | computation | Reference Data From Materials Project: {formula:BaNi2(PO4)2,spaceGroup:R-3,id:mp-18909} |
| RD_666946351502_000 | computation | Reference Data From Materials Project: {formula:BaLaCuTe3,spaceGroup:Pmnb,id:mp-17063} |
| RD_667086965171_000 | computation | Reference Data From Materials Project: {formula:Ba(MgBi)2,spaceGroup:P-3m1,id:mp-29209} |
| RD_667196804514_000 | computation | Reference Data From Materials Project: {formula:TbBa2NbO6,spaceGroup:I4/m,id:mp-6254} |
| RD_667376963355_000 | computation | Reference Data From Materials Project: {formula:BaSi,spaceGroup:Cmcm,id:mp-2499} |
| RD_667498661826_000 | computation | Reference Data From Materials Project: {formula:BaErAgS3,spaceGroup:C2/m,id:mp-559025} |
| RD_667581802232_000 | computation | Reference Data From Materials Project: {formula:Ba4Nd3F17,spaceGroup:P1,id:mp-35986} |
| RD_667729352513_000 | computation | Reference Data From Materials Project: {formula:BaLaMgRuO6,spaceGroup:I-4,id:mp-39249} |
| RD_667807189925_000 | computation | Reference Data From Materials Project: {formula:Ba3NiRu2O9,spaceGroup:P6_3/mmc,id:mp-25719} |
| RD_667941080073_000 | computation | Reference Data From Materials Project: {formula:CsBaIn2(PO4)3,spaceGroup:P2_13,id:mp-532541} |
| RD_668763388493_000 | computation | Reference Data From Materials Project: {formula:BaFe4O7,spaceGroup:P6_3/m,id:mp-540567} |
| RD_668763748765_000 | computation | Reference Data From Materials Project: {formula:BaTiS3,spaceGroup:P6_3/mmc,id:mp-7073} |
| RD_668785876164_000 | computation | Reference Data From Materials Project: {formula:Ba3Zr2S7,spaceGroup:P4_2/mnm,id:mp-8570} |
| RD_668881051820_000 | computation | Reference Data From Materials Project: {formula:BaLiP,spaceGroup:P6_3/mmc,id:mp-13277} |
| RD_668954070030_000 | computation | Reference Data From Materials Project: {formula:Ba3In2(HO)12,spaceGroup:Ia-3d,id:mp-740719} |
| RD_669037529032_000 | computation | Reference Data From Materials Project: {formula:Ba3Al3Ga2,spaceGroup:P6_3/mmc,id:mp-569218} |
| RD_669831596908_000 | computation | Reference Data From Materials Project: {formula:Ba2LiOsO6,spaceGroup:Fm-3m,id:mp-10584} |
| RD_670141015777_000 | computation | Reference Data From Materials Project: {formula:Ba2Ni3F10,spaceGroup:C2/m,id:mp-553999} |
| RD_670208860719_000 | computation | Reference Data From Materials Project: {formula:BaSi2CuO6,spaceGroup:I4_1/acd,id:mp-565843} |
| RD_670460624527_000 | computation | Reference Data From Materials Project: {formula:BaSr2I6,spaceGroup:P-4b2,id:mp-772861} |
| RD_670502550505_000 | computation | Reference Data From Materials Project: {formula:KBaIn2(PO4)3,spaceGroup:P1,id:mp-695157} |
| RD_670581047922_000 | computation | Reference Data From Materials Project: {formula:BaCd11,spaceGroup:I4_1/amd,id:mp-31216} |
| RD_670587425475_000 | computation | Reference Data From Materials Project: {formula:Ba4Ir3O10,spaceGroup:P2_1/c,id:mp-17102} |
| RD_670603181533_000 | computation | Reference Data From Materials Project: {formula:BaY2CoO5,spaceGroup:Pmcn,id:mp-622482} |
| RD_670710254132_000 | computation | Reference Data From Materials Project: {formula:Ba4Sn3O10,spaceGroup:Ccme,id:mp-768510} |
| RD_670754663899_000 | computation | Reference Data From Materials Project: {formula:Ba3La3Ti4NbO18,spaceGroup:R3m,id:mp-677222} |
| RD_671592665871_000 | computation | Reference Data From Materials Project: {formula:BaZrS3,spaceGroup:Pbnm,id:mp-540771} |
| RD_671790649716_000 | computation | Reference Data From Materials Project: {formula:Ba3Al3Ga2,spaceGroup:P6_3/mmc,id:mp-569218} |
| RD_672004450405_000 | computation | Reference Data From Materials Project: {formula:Ba2YSbO6,spaceGroup:Fm-3m,id:mp-14226} |
| RD_672702351060_000 | computation | Reference Data From Materials Project: {formula:BaAgP,spaceGroup:P6_3/mmc,id:mp-9899} |
| RD_672761889100_000 | computation | Reference Data From Materials Project: {formula:Ba3SnO,spaceGroup:Pm-3m,id:mp-29243} |
| RD_672842345643_000 | computation | Reference Data From Materials Project: {formula:Ba5Sb4,spaceGroup:Pnam,id:mp-17399} |
| RD_673247468129_000 | computation | Reference Data From Materials Project: {formula:BaPrMn2O6,spaceGroup:P4/mmm,id:mp-19274} |
| RD_673536598964_000 | computation | Reference Data From Materials Project: {formula:BaNb2O6,spaceGroup:Pmcm,id:mp-640553} |
| RD_673713341621_000 | computation | Reference Data From Materials Project: {formula:Ba2NdSbO6,spaceGroup:Fm-3m,id:mp-14292} |
| RD_674003280242_000 | computation | Reference Data From Materials Project: {formula:BaCa(PO3)4,spaceGroup:P2_1/c,id:mp-556122} |
| RD_674073271716_000 | computation | Reference Data From Materials Project: {formula:K2BaNi(NO2)6,spaceGroup:P1,id:mp-690607} |
| RD_674132015858_000 | computation | Reference Data From Materials Project: {formula:BaAg2,spaceGroup:P6/mmm,id:mp-1241} |
| RD_674329662837_000 | computation | Reference Data From Materials Project: {formula:Ba2BiSbO6,spaceGroup:R-3,id:mp-23091} |
| RD_674744821007_000 | computation | Reference Data From Materials Project: {formula:Ba2LaCl7,spaceGroup:C2/c,id:mp-756251} |
| RD_674781674914_000 | computation | Reference Data From Materials Project: {formula:Ba8Nb6CoO24,spaceGroup:P-3m1,id:mp-640790} |
| RD_675018094648_000 | computation | Reference Data From Materials Project: {formula:BaSiB,spaceGroup:F-43m,id:mp-631544} |
| RD_675018543091_000 | computation | Reference Data From Materials Project: {formula:Ba3LaRu2O9,spaceGroup:P6_3/mmc,id:mp-558624} |
| RD_675640988934_000 | computation | Reference Data From Materials Project: {formula:Ba6Ni25S27,spaceGroup:Pm-3m,id:mp-9415} |
| RD_675741634704_000 | computation | Reference Data From Materials Project: {formula:BaYCuTe3,spaceGroup:Cmcm,id:mp-10336} |
| RD_676199260016_000 | computation | Reference Data From Materials Project: {formula:Ba6Ga2Co11O26,spaceGroup:P-3m1,id:mp-642047} |
| RD_676620203984_000 | computation | Reference Data From Materials Project: {formula:BaNaCe2C4O12F,spaceGroup:P6_3/mmc,id:mp-542264} |
| RD_678105709892_000 | computation | Reference Data From Materials Project: {formula:BaSe,spaceGroup:Pm-3m,id:mp-10680} |
| RD_678511275267_000 | computation | Reference Data From Materials Project: {formula:BaAsH3O5,spaceGroup:Pbca,id:mp-23806} |
| RD_678964654559_000 | computation | Reference Data From Materials Project: {formula:BaC20,spaceGroup:Pm-3n,id:mp-28979} |
| RD_679517486691_000 | computation | Reference Data From Materials Project: {formula:Ba2Mg(PO4)2,spaceGroup:P2_1/c,id:mp-14558} |
| RD_679620040920_000 | computation | Reference Data From Materials Project: {formula:Ba2Hg,spaceGroup:I4/mmm,id:mp-8094} |
| RD_679865382084_000 | computation | Reference Data From Materials Project: {formula:BaThBr6,spaceGroup:Pmmb,id:mp-570615} |
| RD_680301999590_000 | computation | Reference Data From Materials Project: {formula:BaLiCaVP2O9,spaceGroup:P2_1/c,id:mp-763851} |
| RD_680421216865_000 | computation | Reference Data From Materials Project: {formula:Ba3Na7Ti3Nb7O30,spaceGroup:Pm,id:mp-676975} |
| RD_681415228949_000 | computation | Reference Data From Materials Project: {formula:Ba2PrSbO6,spaceGroup:R-3,id:mp-6692} |
| RD_681645151311_000 | computation | Reference Data From Materials Project: {formula:Ba2ZnS3,spaceGroup:Pmnb,id:mp-5587} |
| RD_681860854558_000 | computation | Reference Data From Materials Project: {formula:Ba3MgIr2O9,spaceGroup:P6_3/mmc,id:mp-554909} |
| RD_682191252887_000 | computation | Reference Data From Materials Project: {formula:Ba3NdRu2O9,spaceGroup:P6_3/mmc,id:mp-6018} |
| RD_682201960866_000 | computation | Reference Data From Materials Project: {formula:Ba2HoRuO6,spaceGroup:Fm-3m,id:mp-6609} |
| RD_682256900783_000 | computation | Reference Data From Materials Project: {formula:Ba3MgTa2O9,spaceGroup:P-3m1,id:mp-6325} |
| RD_682608926831_000 | computation | Reference Data From Materials Project: {formula:BaH4(BrO)2,spaceGroup:C2/c,id:mp-696806} |
| RD_682840750267_000 | computation | Reference Data From Materials Project: {formula:BaCaLaBiO6,spaceGroup:F-43m,id:mp-39886} |
| RD_683053930988_000 | computation | Ba in AFLOW crystal prototype A_cP1_221_a (alpha-Po). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_683199064485_000 | computation | Reference Data From Materials Project: {formula:Ba4Pr7Si12BN27,spaceGroup:P-6,id:mp-695596} |
| RD_683543881485_000 | computation | Reference Data From Materials Project: {formula:Ba3Ho4O9,spaceGroup:R3,id:mp-14323} |
| RD_683907356195_000 | computation | Reference Data From Materials Project: {formula:Ba2SiSe4,spaceGroup:P2_1/m,id:mp-14447} |
| RD_684089984546_000 | computation | Reference Data From Materials Project: {formula:BaAgSb,spaceGroup:P6_3/mmc,id:mp-11213} |
| RD_684141401405_000 | computation | Ba in AFLOW crystal prototype A_hP1_191_a (Simple Hexagonal Lattice). 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_684251334317_000 | computation | Reference Data From Materials Project: {formula:BaNb8O14,spaceGroup:Pbca,id:mp-653781} |
| RD_684296833222_000 | computation | Reference Data From Materials Project: {formula:BaPdS2,spaceGroup:Ccmm,id:mp-4009} |
| RD_684298888419_000 | computation | Reference Data From Materials Project: {formula:Ba2CaWN4,spaceGroup:Fddd,id:mp-669377} |
| RD_684648242379_000 | computation | Reference Data From Materials Project: {formula:Ba2Nb2TeO10,spaceGroup:Pcab,id:mp-557108} |
| RD_684673993680_000 | computation | Reference Data From Materials Project: {formula:YbBa2ReO6,spaceGroup:Fm-3m,id:mp-13935} |
| RD_684930257115_000 | computation | Reference Data From Materials Project: {formula:BaNb3NO7,spaceGroup:Cm,id:mp-755621} |
| RD_685547177757_000 | computation | Reference Data From Materials Project: {formula:Ba2Li(BO2)5,spaceGroup:P2_1/m,id:mp-6075} |
| RD_685767312920_000 | computation | Reference Data From Materials Project: {formula:BaRe2(H2O3)4,spaceGroup:P2_1/c,id:mp-740752} |
| RD_686057241484_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca3Tl2(CuO3)4,spaceGroup:I4/mmm,id:mp-556733} |
| RD_686107844752_000 | computation | Reference Data From Materials Project: {formula:Ba2MnMoO6,spaceGroup:Fm-3m,id:mp-25013} |
| RD_687093268827_000 | computation | Reference Data From Materials Project: {formula:BaCl2,spaceGroup:Fm-3m,id:mp-568662} |
| RD_687293394018_000 | computation | Reference Data From Materials Project: {formula:Ba,spaceGroup:Im-3m,id:mp-122} |
| RD_687300065555_000 | computation | Reference Data From Materials Project: {formula:YbBaCo4O7,spaceGroup:P31c,id:mp-25738} |
| RD_687598369751_000 | computation | Reference Data From Materials Project: {formula:Ba5Os3ClO15,spaceGroup:P6_3cm,id:mp-554501} |
| RD_687762779384_000 | computation | Reference Data From Materials Project: {formula:BaSn3Pd,spaceGroup:I4mm,id:mp-11269} |
| RD_687853995008_000 | computation | Reference Data From Materials Project: {formula:BaB2F8,spaceGroup:P2_1/c,id:mp-662570} |
| RD_688745724265_000 | computation | Reference Data From Materials Project: {formula:Ba5AlIr2O11,spaceGroup:Pmcn,id:mp-21742} |
| RD_688777502297_000 | computation | Reference Data From Materials Project: {formula:BaLi(B3O5)3,spaceGroup:R3c,id:mp-17672} |
| RD_688875568695_000 | computation | Reference Data From Materials Project: {formula:Ba2Ta15O32,spaceGroup:R-3,id:mp-28457} |
| RD_689179223642_000 | computation | Reference Data From Materials Project: {formula:BaLi2Ti6O14,spaceGroup:Cmce,id:mp-558083} |
| RD_689349252946_000 | computation | Reference Data From Materials Project: {formula:BaY3F11,spaceGroup:P2_12_12_1,id:mp-776825} |
| RD_689361425136_000 | computation | Reference Data From Materials Project: {formula:BaHf2As,spaceGroup:Fm-3m,id:mp-631569} |
| RD_690301177029_000 | computation | Reference Data From Materials Project: {formula:BaSr(FeO2)4,spaceGroup:P-31m,id:mp-24938} |
| RD_690419731264_000 | computation | Reference Data From Materials Project: {formula:Ba(Cu2As)4,spaceGroup:I4/m,id:mp-14786} |
| RD_690440917806_000 | computation | Reference Data From Materials Project: {formula:Ba(NO2)2,spaceGroup:P2_12_12_1,id:mp-27897} |
| RD_690455203854_000 | computation | Reference Data From Materials Project: {formula:BaNb10SiO19,spaceGroup:P6_3,id:mp-555764} |
| RD_691580733444_000 | computation | Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:P-4b2,id:mp-772875} |
| RD_691907016612_000 | computation | Reference Data From Materials Project: {formula:BaHg11,spaceGroup:Pm-3m,id:mp-1600} |
| RD_692736666161_000 | computation | Reference Data From Materials Project: {formula:BaTeS3,spaceGroup:Pmnb,id:mp-27499} |
| RD_692877785021_000 | computation | Reference Data From Materials Project: {formula:BaTa2O6,spaceGroup:P6/mmm,id:mp-561103} |
| RD_692923708684_000 | computation | Reference Data From Materials Project: {formula:BaNpO3,spaceGroup:Pm-3m,id:mp-8558} |
| RD_693013010911_000 | computation | Reference Data From Materials Project: {formula:BaCeO3,spaceGroup:Pnam,id:mp-3187} |
| RD_693394933278_000 | computation | Reference Data From Materials Project: {formula:KBaCr2(PO4)3,spaceGroup:P2_1,id:mp-745099} |
| RD_693397392264_000 | computation | Reference Data From Materials Project: {formula:Ba2LaCu3O8,spaceGroup:P4/mmm,id:mp-505315} |
| RD_693482311384_000 | computation | Reference Data From Materials Project: {formula:Ba3CrN3,spaceGroup:P6_3/m,id:mp-12905} |
| RD_693511817543_000 | computation | Reference Data From Materials Project: {formula:Ba3GeO5,spaceGroup:R3m,id:mp-770959} |
| RD_694029805233_000 | computation | Reference Data From Materials Project: {formula:Ba9Sm6Cl34,spaceGroup:I4/m,id:mp-567646} |
| RD_694049855843_000 | computation | Reference Data From Materials Project: {formula:Ba3CrS5,spaceGroup:P6_3cm,id:mp-30903} |
| RD_694346915932_000 | computation | Reference Data From Materials Project: {formula:BaClF,spaceGroup:P4/nmm,id:mp-23432} |
| RD_694829371936_000 | computation | Reference Data From Materials Project: {formula:Ba3(SnP2)2,spaceGroup:P2_1/c,id:mp-601867} |
| RD_695293414930_000 | computation | Reference Data From Materials Project: {formula:BaP4O11,spaceGroup:P-1,id:mp-779491} |
| RD_696030928668_000 | computation | Reference Data From Materials Project: {formula:KBaLiZnF6,spaceGroup:R3m,id:mp-703273} |
| RD_696157963665_000 | computation | Reference Data From Materials Project: {formula:BaBiAu,spaceGroup:P6_3/mmc,id:mp-31140} |
| RD_696855812847_000 | computation | Reference Data From Materials Project: {formula:BaPIr,spaceGroup:P2_13,id:mp-9078} |
| RD_697163791060_000 | computation | Reference Data From Materials Project: {formula:Ba3Al5,spaceGroup:P6_3/mmc,id:mp-261} |
| RD_697247770706_000 | computation | Reference Data From Materials Project: {formula:Ba3SrSb2O9,spaceGroup:P-1,id:mp-555078} |
| RD_697523029971_000 | computation | Reference Data From Materials Project: {formula:BaCuAs,spaceGroup:P6_3/mmc,id:mp-9898} |
| RD_697535741428_000 | computation | Reference Data From Materials Project: {formula:BaTa2Bi2O9,spaceGroup:I4/mmm,id:mp-23611} |
| RD_697880089128_000 | computation | Reference Data From Materials Project: {formula:BaNb2Fe2(PO4)6,spaceGroup:P2_1/c,id:mp-705895} |
| RD_698155539039_000 | computation | Reference Data From Materials Project: {formula:BaUTiO6,spaceGroup:P2_1/c,id:mp-560110} |
| RD_698499717877_000 | computation | Reference Data From Materials Project: {formula:Ba(LaSe2)2,spaceGroup:I-42d,id:mp-37741} |
| RD_698946727552_000 | computation | Reference Data From Materials Project: {formula:Ba3NiSb2O9,spaceGroup:P6_3/mmc,id:mp-19697} |
| RD_699176343039_000 | computation | Reference Data From Materials Project: {formula:Ba2LaReO6,spaceGroup:Fm-3m,id:mp-20958} |
| RD_699494160704_000 | computation | Reference Data From Materials Project: {formula:BaGe2B,spaceGroup:F-43m,id:mp-631556} |
| RD_699841325363_000 | computation | Reference Data From Materials Project: {formula:BaW6O19,spaceGroup:Cm,id:mp-690123} |
| RD_700335552045_000 | computation | Reference Data From Materials Project: {formula:KBaSn,spaceGroup:F-43m,id:mp-962073} |
| RD_700350110787_000 | computation | Reference Data From Materials Project: {formula:Ba2CaY(Co4O7)2,spaceGroup:P3m1,id:mp-698728} |
| RD_700570470584_000 | computation | Reference Data From Materials Project: {formula:Ba(HoTe2)2,spaceGroup:Pmnb,id:mp-17273} |
| RD_700782567198_000 | computation | Reference Data From Materials Project: {formula:BaV13O18,spaceGroup:R-3,id:mp-510249} |
| RD_701032956869_000 | computation | Reference Data From Materials Project: {formula:Ba5Ho8Mn4O21,spaceGroup:I4/m,id:mp-25042} |
| RD_701041323233_000 | computation | Reference Data From Materials Project: {formula:BaAsPd,spaceGroup:P-6m2,id:mp-9744} |
| RD_701501847481_000 | computation | Ba 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_701691091775_000 | computation | Reference Data From Materials Project: {formula:Ba3V2P6(HO4)6,spaceGroup:R-3c,id:mp-762970} |
| RD_701948356221_000 | computation | Reference Data From Materials Project: {formula:Ba3Si6N4O9,spaceGroup:P3,id:mp-554885} |
| RD_702369387132_000 | computation | Reference Data From Materials Project: {formula:BaNa4Cu3F12,spaceGroup:Ia3,id:mp-653631} |
| RD_702542988910_000 | computation | Reference Data From Materials Project: {formula:Ba3PrF9,spaceGroup:P1,id:mp-675426} |
| RD_702645880707_000 | computation | Reference Data From Materials Project: {formula:Ba(CdAs)2,spaceGroup:P-3m1,id:mp-8281} |
| RD_702662863046_000 | computation | Reference Data From Materials Project: {formula:TbBaO3,spaceGroup:R-3c,id:mp-548824} |
| RD_703110387597_000 | computation | Reference Data From Materials Project: {formula:BaTi(SiO3)3,spaceGroup:P-6c2,id:mp-6661} |
| RD_703129097615_000 | computation | Reference Data From Materials Project: {formula:Ba(Cu5P2)2,spaceGroup:C2/m,id:mp-618788} |
| RD_704383416218_000 | computation | Reference Data From Materials Project: {formula:BaYF5,spaceGroup:P2_1/c,id:mp-777978} |
| RD_704787953035_000 | computation | Reference Data From Materials Project: {formula:Ba20Nb19Se60,spaceGroup:P-1,id:mp-685931} |
| RD_704858237719_000 | computation | Reference Data From Materials Project: {formula:Ba2CaFe2CuF14,spaceGroup:C2/c,id:mp-622251} |
| RD_704897057773_000 | computation | Reference Data From Materials Project: {formula:Ba(MgSb)2,spaceGroup:P-3m1,id:mp-9567} |
| RD_705161667658_000 | computation | Reference Data From Materials Project: {formula:BaNb7(P2O11)3,spaceGroup:P-31c,id:mp-555620} |
| RD_705592110449_000 | computation | Reference Data From Materials Project: {formula:BaZnBi2,spaceGroup:I4/mmm,id:mp-30427} |
| RD_705786182688_000 | computation | Reference Data From Materials Project: {formula:BaLaGaO4,spaceGroup:P2_12_12_1,id:mp-541280} |
| RD_705983018319_000 | computation | Reference Data From Materials Project: {formula:BaLaMnRuO6,spaceGroup:Pc,id:mp-690567} |
| RD_705993012462_000 | computation | Reference Data From Materials Project: {formula:Ba3SmRu2O9,spaceGroup:P6_3/mmc,id:mp-6077} |
| RD_706136027414_000 | computation | Reference Data From Materials Project: {formula:BaLaFe2Cu2O11,spaceGroup:Pmm2,id:mp-705604} |
| RD_706966756700_000 | computation | Reference Data From Materials Project: {formula:Ba2PdF6,spaceGroup:Ccme,id:mp-29794} |
| RD_707548303541_000 | computation | Reference Data From Materials Project: {formula:Ba2CuClO2,spaceGroup:R-3m,id:mp-551456} |
| RD_707740494564_000 | computation | Reference Data From Materials Project: {formula:Ba2LiVP2O9,spaceGroup:Cc,id:mp-763824} |
| RD_707869530764_000 | computation | Reference Data From Materials Project: {formula:Ba6Mg7H26,spaceGroup:Immm,id:mp-697671} |
| RD_708212499012_000 | computation | Reference Data From Materials Project: {formula:BaLaBr5,spaceGroup:Pnma,id:mp-770392} |
| RD_708372378709_000 | computation | Reference Data From Materials Project: {formula:Ba2Na7Ti16Bi7O48,spaceGroup:P1,id:mp-720079} |
| RD_708626435981_000 | computation | Reference Data From Materials Project: {formula:Ba2CaWO6,spaceGroup:C2/m,id:mp-19098} |
| RD_708642779643_000 | computation | Reference Data From Materials Project: {formula:BaSrI4,spaceGroup:C2/c,id:mp-754199} |
| RD_708684800255_000 | computation | Reference Data From Materials Project: {formula:Ba17Al3O7,spaceGroup:P4_2/ncm,id:mp-679951} |
| RD_709552458578_000 | computation | Reference Data From Materials Project: {formula:BaEr2CuO5,spaceGroup:Pmcn,id:mp-505808} |
| RD_709635236830_000 | computation | Reference Data From Materials Project: {formula:BaZn13,spaceGroup:Fm-3c,id:mp-672225} |
| RD_709893257833_000 | computation | Reference Data From Materials Project: {formula:Ba2YF7,spaceGroup:P2_1/c,id:mp-777744} |
| RD_710108044649_000 | computation | Reference Data From Materials Project: {formula:Ba(WO3)6,spaceGroup:P6mm,id:mp-765995} |
| RD_710437818253_000 | computation | Reference Data From Materials Project: {formula:BaLiLaTeO6,spaceGroup:F-43m,id:mp-40189} |
| RD_710503597886_000 | computation | Reference Data From Materials Project: {formula:Ba6Sr11I34,spaceGroup:P-1,id:mp-772883} |
| RD_710714311273_000 | computation | Reference Data From Materials Project: {formula:BaZn,spaceGroup:Pm-3m,id:mp-902} |
| RD_710732948419_000 | computation | Reference Data From Materials Project: {formula:Ba2NbInO6,spaceGroup:Fm-3m,id:mp-20620} |
| RD_710749482147_000 | computation | Reference Data From Materials Project: {formula:Ba2DyCu3O7,spaceGroup:Pmmm,id:mp-622105} |
| RD_711484832481_000 | computation | Reference Data From Materials Project: {formula:KBa3Ca4V7Cu3O28,spaceGroup:P6_3mc,id:mp-567061} |
| RD_711546859665_000 | computation | Reference Data From Materials Project: {formula:BaZn2(BO3)2,spaceGroup:P2_12_12_1,id:mp-557974} |
| RD_711547379931_000 | computation | Reference Data From Materials Project: {formula:K3Ba2Pr2(BiO5)3,spaceGroup:R-3m,id:mp-686204} |
| RD_711713269500_000 | computation | Reference Data From Materials Project: {formula:BaLaI5,spaceGroup:P2_1/c,id:mp-770314} |
| RD_711809900633_000 | computation | Reference Data From Materials Project: {formula:Ba5Gd8Zn4O21,spaceGroup:I4/m,id:mp-16538} |
| RD_711838420888_000 | computation | Reference Data From Materials Project: {formula:BaCu,spaceGroup:P6_3/mmc,id:mp-30428} |
| RD_711889565547_000 | computation | Reference Data From Materials Project: {formula:BaLaBr5,spaceGroup:Pnma,id:mp-772891} |
| RD_711916706909_000 | computation | Reference Data From Materials Project: {formula:BaMnO3,spaceGroup:P6_3/mmc,id:mp-19156} |
| RD_712088043237_000 | computation | Reference Data From Materials Project: {formula:Ba5Ru2Br2O9,spaceGroup:P6_3/mmc,id:mp-558725} |
| RD_712286109425_000 | computation | Reference Data From Materials Project: {formula:Ba5La2Cl16,spaceGroup:Ccce,id:mp-772019} |
| RD_712317811561_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ba, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-10679) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_712561599892_000 | computation | Reference Data From Materials Project: {formula:Ba2YI7,spaceGroup:P2_1,id:mp-849802} |
| RD_713231119627_000 | computation | Reference Data From Materials Project: {formula:Ba2Ti6O13,spaceGroup:C2/m,id:mp-7733} |
| RD_713373755994_000 | computation | Reference Data From Materials Project: {formula:Ba3FeN3,spaceGroup:P6_3/m,id:mp-8306} |
| RD_713500494392_000 | computation | Reference Data From Materials Project: {formula:BaNaScSi2O7,spaceGroup:P2_1/m,id:mp-866298} |
| RD_713795143254_000 | computation | Reference Data From Materials Project: {formula:BaYCl5,spaceGroup:C2/c,id:mp-756564} |
| RD_714606453227_000 | computation | Reference Data From Materials Project: {formula:BaSi2,spaceGroup:P-3m1,id:mp-7655} |
| RD_715441778769_000 | computation | Reference Data From Materials Project: {formula:Ba3InAs3,spaceGroup:Pmnb,id:mp-620346} |
| RD_715634248747_000 | computation | Reference Data From Materials Project: {formula:Ba5As3ClO12,spaceGroup:P6_3/m,id:mp-556761} |
| RD_715823428620_000 | computation | Reference Data From Materials Project: {formula:BaFeO3,spaceGroup:Pm-3m,id:mp-19035} |
| RD_715878989252_000 | computation | Reference Data From Materials Project: {formula:Ba2GeSe4,spaceGroup:P2_1/m,id:mp-11902} |
| RD_716221998572_000 | computation | Reference Data From Materials Project: {formula:Ba5V3ClO12,spaceGroup:P6_3/m,id:mp-25789} |
| RD_716425062580_000 | computation | Reference Data From Materials Project: {formula:Ba2(IrO3)3,spaceGroup:I23,id:mp-510508} |
| RD_716562679263_000 | computation | Reference Data From Materials Project: {formula:BaP10,spaceGroup:Cmc2_1,id:mp-28035} |
| RD_716946976621_000 | computation | Reference Data From Materials Project: {formula:Ba2CdS3,spaceGroup:Pmnb,id:mp-18309} |
| RD_717194284169_000 | computation | Reference Data From Materials Project: {formula:Ba3Nb2ZnO9,spaceGroup:P-3m1,id:mp-7249} |
| RD_717232975032_000 | computation | Reference Data From Materials Project: {formula:BaSrSn,spaceGroup:F-43m,id:mp-962062} |
| RD_717790411822_000 | computation | Reference Data From Materials Project: {formula:Ba(CdAs)2,spaceGroup:P-3m1,id:mp-8281} |
| RD_717862230927_000 | computation | Reference Data From Materials Project: {formula:Ba4PdO6,spaceGroup:R-3c,id:mp-782050} |
| RD_717998212205_000 | computation | Reference Data From Materials Project: {formula:Ba,spaceGroup:P6/mmm,id:mp-605790} |
| RD_718036798915_000 | computation | Reference Data From Materials Project: {formula:Ba2SbAu,spaceGroup:Fm-3m,id:mp-862631} |
| RD_718397983484_000 | computation | Reference Data From Materials Project: {formula:Ba14Pd3Ir8O33,spaceGroup:C2,id:mp-738639} |
| RD_718439850249_000 | computation | Reference Data From Materials Project: {formula:BaSr(FeO2)4,spaceGroup:P-6m2,id:mp-565880} |
| RD_718534851544_000 | computation | Reference Data From Materials Project: {formula:Ba4Ti11O26,spaceGroup:P1,id:mp-760078} |
| RD_718790840177_000 | computation | Reference Data From Materials Project: {formula:Ba2BiSbO6,spaceGroup:C2/m,id:mp-23127} |
| RD_718985410374_000 | computation | Reference Data From Materials Project: {formula:Ba3LaRu2O9,spaceGroup:P6_3/mmc,id:mp-558624} |
| RD_719083204505_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P-4b2,id:mp-766287} |
| RD_719100422359_000 | computation | Reference Data From Materials Project: {formula:BaCaCrF7,spaceGroup:P2/c,id:mp-560577} |
| RD_719291793434_000 | computation | Reference Data From Materials Project: {formula:BaTaF7,spaceGroup:Pa3,id:mp-559835} |
| RD_719534414952_000 | computation | Reference Data From Materials Project: {formula:BaSc2O4,spaceGroup:C2/c,id:mp-3564} |
| RD_720180513872_000 | computation | Reference Data From Materials Project: {formula:Ba4TiP4,spaceGroup:P-43n,id:mp-15502} |
| RD_720302726856_000 | computation | Reference Data From Materials Project: {formula:Ba(AuF6)2,spaceGroup:Pm-3m,id:mp-558168} |
| RD_720427915475_000 | computation | Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:P6_3/mmc,id:mp-5933} |
| RD_720987790457_000 | computation | Reference Data From Materials Project: {formula:Ba,spaceGroup:P6_3/mmc,id:mp-56} |
| RD_721335829098_000 | computation | Reference Data From Materials Project: {formula:Ba5Cd2Sb5F,spaceGroup:Cmcm,id:mp-865528} |
| RD_721677566609_000 | computation | Reference Data From Materials Project: {formula:Ba2FeCoF9,spaceGroup:P2_1/c,id:mp-562025} |
| RD_722436941063_000 | computation | Reference Data From Materials Project: {formula:BaP2(XeF5)4,spaceGroup:P-1,id:mp-581294} |
| RD_722807037187_000 | computation | Reference Data From Materials Project: {formula:BaAg5,spaceGroup:P6/mmm,id:mp-1814} |
| RD_723101399545_000 | computation | Reference Data From Materials Project: {formula:Ba2InRuO6,spaceGroup:P-3m1,id:mp-616601} |
| RD_723342751499_000 | computation | Reference Data From Materials Project: {formula:Ba2ZnN2,spaceGroup:I4/mmm,id:mp-9307} |
| RD_723384890965_000 | computation | Reference Data From Materials Project: {formula:BaTaO3,spaceGroup:Pm-3m,id:mp-754678} |
| RD_723387409143_000 | computation | Ba in AFLOW crystal prototype A_cP1_221_a (alpha-Po). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_723691620565_000 | computation | Reference Data From Materials Project: {formula:Ba,spaceGroup:Fm-3m,id:mp-10679} |
| RD_723715695925_000 | computation | Reference Data From Materials Project: {formula:Ba5Ta2Cl2O9,spaceGroup:P6_3/mmc,id:mp-559378} |
| RD_724416193238_000 | computation | Reference Data From Materials Project: {formula:BaSO4,spaceGroup:F-43m,id:mp-3307} |
| RD_725333582779_000 | computation | Reference Data From Materials Project: {formula:BaNiO3,spaceGroup:P6_3mc,id:mp-19241} |
| RD_726308496394_000 | computation | Reference Data From Materials Project: {formula:BaLaCl5,spaceGroup:P2_1/c,id:mp-772035} |
| RD_726324579679_000 | computation | Reference Data From Materials Project: {formula:BaNaP3(HO2)6,spaceGroup:P-1,id:mp-695982} |
| RD_726442799145_000 | computation | Reference Data From Materials Project: {formula:Ba(AsPd)2,spaceGroup:I4/mmm,id:mp-571350} |
| RD_726466482157_000 | computation | Reference Data From Materials Project: {formula:BaH8PtC4(NO)4,spaceGroup:C2/c,id:mp-720904} |
| RD_726838637480_000 | computation | Reference Data From Materials Project: {formula:BaNdO3,spaceGroup:R-3c,id:mp-754307} |
| RD_727221646886_000 | computation | Reference Data From Materials Project: {formula:Ba(GaO2)2,spaceGroup:P6_3,id:mp-680226} |
| RD_727447409198_000 | computation | Reference Data From Materials Project: {formula:BaLa2ZnS5,spaceGroup:I4/mcm,id:mp-16452} |
| RD_727823312514_000 | computation | Reference Data From Materials Project: {formula:Cs2Ba2O3,spaceGroup:P2_1/c,id:mp-752539} |
| RD_728015614728_000 | computation | Reference Data From Materials Project: {formula:BaSrI4,spaceGroup:P2_1/c,id:mp-754388} |
| RD_728202857959_000 | computation | Reference Data From Materials Project: {formula:Ba5Y3F19,spaceGroup:I4cm,id:mp-778387} |
| RD_728301086795_000 | computation | Reference Data From Materials Project: {formula:BaCl2,spaceGroup:P-62m,id:mp-567680} |
| RD_728416575638_000 | computation | Reference Data From Materials Project: {formula:BaTe,spaceGroup:Pm-3m,id:mp-2600} |
| RD_728939332818_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca2Zn5Fe3O14,spaceGroup:P2_1,id:mp-694875} |
| RD_729121596294_000 | computation | Reference Data From Materials Project: {formula:BaNa2,spaceGroup:P6_3/mmc,id:mp-11820} |
| RD_729452420931_000 | computation | Reference Data From Materials Project: {formula:BaY(CoO2)4,spaceGroup:P2_1ab,id:mp-646218} |
| RD_729578465538_000 | computation | Reference Data From Materials Project: {formula:Ba(H8O5)2,spaceGroup:P1,id:mp-626295} |
| RD_729877913409_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_730300098580_000 | computation | Reference Data From Materials Project: {formula:Ba3SrNb2O9,spaceGroup:P6_3/mmc,id:mp-540794} |
| RD_730699109542_000 | computation | Reference Data From Materials Project: {formula:Ba2TlCuO5,spaceGroup:P4/mmm,id:mp-20942} |
| RD_730708127153_000 | computation | Reference Data From Materials Project: {formula:Ba5B4(O5F)2,spaceGroup:C2/c,id:mp-557176} |
| RD_730849170924_000 | computation | Reference Data From Materials Project: {formula:Ba2Sb2O7,spaceGroup:Imma,id:mp-752404} |
| RD_731016598219_000 | computation | Reference Data From Materials Project: {formula:Ba4LiMo2N7,spaceGroup:P2/c,id:mp-6011} |
| RD_731485232031_000 | computation | Reference Data From Materials Project: {formula:Ba2Si2CuO7,spaceGroup:P-42_1m,id:mp-11613} |
| RD_731558866477_000 | computation | Reference Data From Materials Project: {formula:Ba2Sb4P2O17,spaceGroup:Pmcn,id:mp-554481} |
| RD_731595595010_000 | computation | Reference Data From Materials Project: {formula:BaNiO3,spaceGroup:P6_3mc,id:mp-19241} |
| RD_731834708918_000 | computation | Reference Data From Materials Project: {formula:Ba9Fe4S15,spaceGroup:Pmcn,id:mp-555262} |
| RD_732593274030_000 | computation | Reference Data From Materials Project: {formula:Ba4Li6Ti19O44,spaceGroup:P1,id:mp-767511} |
| RD_732597376404_000 | computation | Reference Data From Materials Project: {formula:Ba2CrO4,spaceGroup:Pmnb,id:mp-19703} |
| RD_732913620346_000 | computation | Reference Data From Materials Project: {formula:Ba7SiB3NO13,spaceGroup:P6_3,id:mp-695708} |
| RD_733087599508_000 | computation | Reference Data From Materials Project: {formula:K2BaNi(NO2)6,spaceGroup:Cm,id:mp-699399} |
| RD_733241959372_000 | computation | Reference Data From Materials Project: {formula:BaNiS2,spaceGroup:P4/nmm,id:mp-7486} |
| RD_733312233072_000 | computation | Reference Data From Materials Project: {formula:Ba2CaReO6,spaceGroup:Fm-3m,id:mp-6635} |
| RD_733449984031_000 | computation | Reference Data From Materials Project: {formula:Ba2Nb6Te2O21,spaceGroup:C2/m,id:mp-16998} |
| RD_734123113540_000 | computation | Reference Data From Materials Project: {formula:Ba2Ni(NO2)6,spaceGroup:Fm-3m,id:mp-25098} |
| RD_734239698636_000 | computation | Reference Data From Materials Project: {formula:Ba4Ti11O26,spaceGroup:C2/m,id:mp-774530} |
| RD_734372768731_000 | computation | Reference Data From Materials Project: {formula:Ba(ZnAs)2,spaceGroup:Pmnb,id:mp-7427} |
| RD_734862177085_000 | computation | Reference Data From Materials Project: {formula:BaGa2,spaceGroup:P6/mmm,id:mp-1219} |
| RD_734938305674_000 | computation | Reference Data From Materials Project: {formula:Ba2LaAg5S6,spaceGroup:C2/m,id:mp-553874} |
| RD_734973312375_000 | computation | Reference Data From Materials Project: {formula:Ba2SrI6,spaceGroup:Ia3,id:mp-752450} |
| RD_735234924739_000 | computation | Reference Data From Materials Project: {formula:Yb2BaCoO5,spaceGroup:Pmcn,id:mp-541597} |
| RD_736076419018_000 | computation | Reference Data From Materials Project: {formula:BaGe4O9,spaceGroup:P321,id:mp-3848} |
| RD_736391861898_000 | computation | Reference Data From Materials Project: {formula:BaBiClO2,spaceGroup:Cmcm,id:mp-552806} |
| RD_736418017521_000 | computation | Reference Data From Materials Project: {formula:BaCaLaBiO6,spaceGroup:F-43m,id:mp-39886} |
| RD_737462187004_000 | computation | Reference Data From Materials Project: {formula:Ba2GeO4,spaceGroup:Pna2_1,id:mp-780263} |
| RD_737486007423_000 | computation | Reference Data From Materials Project: {formula:Ba3Cr2WO9,spaceGroup:P6_3/mmc,id:mp-559226} |
| RD_737598232284_000 | computation | Reference Data From Materials Project: {formula:BaMnO3,spaceGroup:P-6m2,id:mp-761412} |
| RD_738059434533_000 | computation | Reference Data From Materials Project: {formula:Ba(HO)2,spaceGroup:P1,id:mp-627043} |
| RD_738270992848_000 | computation | Reference Data From Materials Project: {formula:BaCO3,spaceGroup:Pmnb,id:mp-5504} |
| RD_738603202373_000 | computation | Reference Data From Materials Project: {formula:Ba6Na2Cr2Ru2O17,spaceGroup:P6_3/mmc,id:mp-565759} |
| RD_738864239564_000 | computation | Reference Data From Materials Project: {formula:Ba2SiO4,spaceGroup:Pmnb,id:mp-17612} |