Short KIM ID Data Method Description
RD_012845853810_000 computation Reference Data From Materials Project: {formula:TaAlCo2,spaceGroup:Fm-3m,id:mp-3340}
RD_012860289521_000 computation Reference Data From Materials Project: {formula:YH12(ClO2)3,spaceGroup:P2/c,id:mp-23958}
RD_012886477978_000 computation Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3/mmc,id:mp-7991}
RD_012893878360_000 computation Reference Data From Materials Project: {formula:Li3Mn2(NiO4)2,spaceGroup:P-1,id:mp-763752}
RD_012906679762_000 computation Reference Data From Materials Project: {formula:CaLaHg2,spaceGroup:Fm-3m,id:mp-862846}
RD_012908025791_000 computation Reference Data From Materials Project: {formula:LaCd2,spaceGroup:P6/mmm,id:mp-12055}
RD_012911005819_000 computation Reference Data From Materials Project: {formula:Cs2KTiF6,spaceGroup:Fm-3m,id:mp-6178}
RD_012937449906_000 computation Reference Data From Materials Project: {formula:Ti,spaceGroup:Im-3m,id:mp-73}
RD_012944302360_000 computation Reference Data From Materials Project: {formula:YbSnAu2,spaceGroup:Fm-3m,id:mp-865995}
RD_012969629182_000 computation Reference Data From Materials Project: {formula:Pr5AgS8,spaceGroup:I-4,id:mp-34486}
RD_012986897416_000 computation Reference Data From Materials Project: {formula:Mg(CN)2,spaceGroup:P4_2nm,id:mp-36940}
RD_012994298417_000 computation Reference Data From Materials Project: {formula:Mn2CuO4,spaceGroup:P3m1,id:mp-705626}
RD_012995647386_000 computation Reference Data From Materials Project: {formula:YIr2,spaceGroup:Fd-3m,id:mp-2762}
RD_013006841602_000 computation Reference Data From Materials Project: {formula:Rb3BrO,spaceGroup:Pm-3m,id:mp-30055}
RD_013027683255_000 computation Reference Data From Materials Project: {formula:Ta2C,spaceGroup:P-3m1,id:mp-7088}
RD_013030795425_000 computation Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:Pbca,id:mp-866883}
RD_013034291903_000 computation Reference Data From Materials Project: {formula:V2Te2O9,spaceGroup:P2_1/c,id:mp-510228}
RD_013034739491_000 computation Reference Data From Materials Project: {formula:Yb3NaTi2(SbO7)2,spaceGroup:P2/c,id:mp-695026}
RD_013038586471_000 computation Reference Data From Materials Project: {formula:Ba8Nb7O24,spaceGroup:P3m1,id:mp-780569}
RD_013046808316_000 computation Reference Data From Materials Project: {formula:LiVOF3,spaceGroup:Pc,id:mp-764685}
RD_013048788316_000 computation Reference Data From Materials Project: {formula:K2GaP2,spaceGroup:P2_1/c,id:mp-15417}
RD_013062495845_000 computation Reference Data From Materials Project: {formula:Cu3(AsO4)2,spaceGroup:P2_1/c,id:mp-554614}
RD_013064312156_000 computation Reference Data From Materials Project: {formula:LiVO2,spaceGroup:R-3m,id:mp-19340}
RD_013087067604_000 computation Reference Data From Materials Project: {formula:Hf2BiB,spaceGroup:F-43m,id:mp-631558}
RD_013089123798_000 computation Reference Data From Materials Project: {formula:Cs3As,spaceGroup:P6_3cm,id:mp-542220}
RD_013089514815_000 computation Reference Data From Materials Project: {formula:Na2AgSb,spaceGroup:Cmcm,id:mp-7392}
RD_013093550010_000 computation Reference Data From Materials Project: {formula:TlZn(PO3)3,spaceGroup:Pbcm,id:mp-557589}
RD_013116736210_000 computation Reference Data From Materials Project: {formula:NpBe13,spaceGroup:Fm-3c,id:mp-30442}
RD_013126599657_000 computation Reference Data From Materials Project: {formula:VCu3S4,spaceGroup:P-43m,id:mp-3762}
RD_013146314595_000 computation Reference Data From Materials Project: {formula:ScTeO3F,spaceGroup:Pbnn,id:mp-13551}
RD_013148618670_000 computation Reference Data From Materials Project: {formula:In5Se5Br,spaceGroup:Pmn2_1,id:mp-510346}
RD_013150877334_000 computation Reference Data From Materials Project: {formula:YbNiSn,spaceGroup:Pmnb,id:mp-22162}
RD_013155541060_000 computation Reference Data From Materials Project: {formula:LiFe2OF5,spaceGroup:Pc,id:mp-777210}
RD_013168535051_000 computation Reference Data From Materials Project: {formula:EuCuAs,spaceGroup:P6_3/mmc,id:mp-22277}
RD_013181959237_000 computation Reference Data From Materials Project: {formula:VO2F,spaceGroup:P-1,id:mp-765735}
RD_013193089337_000 computation Reference Data From Materials Project: {formula:ZrNi2Sn,spaceGroup:Fm-3m,id:mp-19877}
RD_013197367452_000 computation Reference Data From Materials Project: {formula:PuSb,spaceGroup:Fm-3m,id:mp-2566}
RD_013197504653_000 computation Reference Data From Materials Project: {formula:NdN,spaceGroup:Fm-3m,id:mp-2599}
RD_013205401549_000 computation Reference Data From Materials Project: {formula:V2NO,spaceGroup:I4_1/amd,id:mp-690555}
RD_013206936281_000 computation Reference Data From Materials Project: {formula:ScSi2,spaceGroup:P6/mmm,id:mp-2841}
RD_013209744909_000 computation Reference Data From Materials Project: {formula:CeBe13,spaceGroup:Fm-3c,id:mp-457}
RD_013267686247_000 computation Reference Data From Materials Project: {formula:MnOF,spaceGroup:P2_1cn,id:mp-763196}
RD_013272946936_000 computation Reference Data From Materials Project: {formula:Ba2Ni7F18,spaceGroup:P-1,id:mp-560626}
RD_013298382733_000 computation Reference Data From Materials Project: {formula:Nd4(GeS4)3,spaceGroup:R3c,id:mp-560086}
RD_013323066388_000 computation Reference Data From Materials Project: {formula:HfAsRh,spaceGroup:F-43m,id:mp-961719}
RD_013331587212_000 computation Reference Data From Materials Project: {formula:LiInO2,spaceGroup:I4_1/amd,id:mp-5488}
RD_013343422495_000 computation Reference Data From Materials Project: {formula:LaSc3(BO3)4,spaceGroup:C2/c,id:mp-6217}
RD_013355703430_000 computation Reference Data From Materials Project: {formula:NdP5,spaceGroup:P2_1/m,id:mp-7332}
RD_013356135759_000 computation Reference Data From Materials Project: {formula:Lu4Zn5Ge6,spaceGroup:Cmc2_1,id:mp-16190}
RD_013367496021_000 computation Reference Data From Materials Project: {formula:Li5Ti2Mn5O12,spaceGroup:C2,id:mp-771552}
RD_013372852232_000 computation Reference Data From Materials Project: {formula:Rb2Cr2O7,spaceGroup:P-1,id:mp-562133}
RD_013375946477_000 computation Reference Data From Materials Project: {formula:TmH16C4N11O13,spaceGroup:P-1,id:mp-722318}
RD_013378791783_000 computation Reference Data From Materials Project: {formula:SrBe3O4,spaceGroup:P-62c,id:mp-27791}
RD_013391450875_000 computation Reference Data From Materials Project: {formula:MnF3,spaceGroup:C2/c,id:mp-556560}
RD_013439249722_000 computation Reference Data From Materials Project: {formula:AsS(ClF2)3,spaceGroup:P2_12_12_1,id:mp-556705}
RD_013474247666_000 computation Reference Data From Materials Project: {formula:Eu2Ca18P12(SO16)3,spaceGroup:P1,id:mp-677016}
RD_013504176517_000 computation Reference Data From Materials Project: {formula:ScRh2Pb,spaceGroup:Fm-3m,id:mp-862629}
RD_013528489266_000 computation Reference Data From Materials Project: {formula:Fe3PdN,spaceGroup:Pm-3m,id:mp-16334}
RD_013568995456_000 computation Reference Data From Materials Project: {formula:Li2FeCO5,spaceGroup:Pbam,id:mp-762024}
RD_013599192579_000 computation Reference Data From Materials Project: {formula:Sb2Te(SeF5)2,spaceGroup:Pbca,id:mp-6407}
RD_013608589729_000 computation Reference Data From Materials Project: {formula:GaAgTe2,spaceGroup:I-42d,id:mp-4899}
RD_013619868302_000 computation Reference Data From Materials Project: {formula:AcGaTe2,spaceGroup:Fm-3m,id:mp-861884}
RD_013637883919_000 computation Reference Data From Materials Project: {formula:CoSi,spaceGroup:P2_13,id:mp-7577}
RD_013658301835_000 computation Reference Data From Materials Project: {formula:Mn6OF11,spaceGroup:Pc,id:mp-774316}
RD_013676224916_000 computation Reference Data From Materials Project: {formula:TaGaNi2,spaceGroup:Fm-3m,id:mp-21175}
RD_013694446773_000 computation Reference Data From Materials Project: {formula:MgSiN2,spaceGroup:P2_1nb,id:mp-3677}
RD_013710430036_000 computation Reference Data From Materials Project: {formula:DyAgPb,spaceGroup:P6_3mc,id:mp-510687}
RD_013740745196_000 computation Reference Data From Materials Project: {formula:Ce2MgCu2,spaceGroup:P4/mbm,id:mp-22810}
RD_013755757020_000 computation Reference Data From Materials Project: {formula:ScTc2Mo,spaceGroup:Fm-3m,id:mp-862723}
RD_013759296556_000 computation Reference Data From Materials Project: {formula:CdAg3,spaceGroup:P6_3/mmc,id:mp-865910}
RD_013805049551_000 computation Reference Data From Materials Project: {formula:Fe24N11,spaceGroup:C2/c,id:mp-684887}
RD_013826145896_000 computation Reference Data From Materials Project: {formula:CaMg2TiAl2SiO10,spaceGroup:P1,id:mp-534863}
RD_013828575785_000 computation Reference Data From Materials Project: {formula:Li2V2(PO4)3,spaceGroup:P2_1/c,id:mp-853258}
RD_013832199775_000 computation Reference Data From Materials Project: {formula:HfP2O7,spaceGroup:Pa3,id:mp-770092}
RD_013840935197_000 computation Reference Data From Materials Project: {formula:U(SiCu)2,spaceGroup:I4/mmm,id:mp-22374}
RD_013859109357_000 computation Reference Data From Materials Project: {formula:DyBO3,spaceGroup:P-1,id:mp-10792}
RD_013869446985_000 computation Reference Data From Materials Project: {formula:ZnS,spaceGroup:R3m,id:mp-581412}
RD_013872690355_000 computation Reference Data From Materials Project: {formula:CoOF,spaceGroup:P2/m,id:mp-763931}
RD_013879552087_000 computation Reference Data From Materials Project: {formula:NdPt5,spaceGroup:P6/mmm,id:mp-2359}
RD_013895413724_000 computation Reference Data From Materials Project: {formula:V5O9,spaceGroup:P1,id:mp-714932}
RD_013903448390_000 computation Reference Data From Materials Project: {formula:RbPuP2S7,spaceGroup:P2_1/c,id:mp-680371}
RD_013932928682_000 computation Reference Data From Materials Project: {formula:La2MgRhO6,spaceGroup:P2_1/c,id:mp-10320}
RD_013937960693_000 computation Reference Data From Materials Project: {formula:PbWO4,spaceGroup:P2_1/c,id:mp-565717}
RD_013939640502_000 computation Reference Data From Materials Project: {formula:Li2Mn3NbO8,spaceGroup:P4_332,id:mp-775745}
RD_013973673805_000 computation Reference Data From Materials Project: {formula:LiMn(PO3)4,spaceGroup:P2_1,id:mp-31937}
RD_014012429425_000 computation Reference Data From Materials Project: {formula:Re4Si7,spaceGroup:Cm,id:mp-568595}
RD_014025290593_000 computation Reference Data From Materials Project: {formula:V2Si2O7,spaceGroup:Fd-3m,id:mp-769903}
RD_014027265595_000 computation Reference Data From Materials Project: {formula:SF6,spaceGroup:P-1,id:mp-642824}
RD_014043654579_000 computation Reference Data From Materials Project: {formula:Li5Mn5O9F,spaceGroup:P1,id:mp-767106}
RD_014043759880_000 computation Reference Data From Materials Project: {formula:BaNdNiSbO6,spaceGroup:Pc,id:mp-705415}
RD_014051361312_000 computation Reference Data From Materials Project: {formula:Ca5Ge3,spaceGroup:I4/mcm,id:mp-1884}
RD_014063293592_000 computation Reference Data From Materials Project: {formula:HfBe13,spaceGroup:Fm-3c,id:mp-1878}
RD_014065293566_000 computation Reference Data From Materials Project: {formula:ZrAs,spaceGroup:P6_3/mmc,id:mp-1682}
RD_014072794863_000 computation Reference Data From Materials Project: {formula:LiFeF4,spaceGroup:Pnma,id:mp-778352}
RD_014105504363_000 computation Reference Data From Materials Project: {formula:LiSn(PO3)3,spaceGroup:P2_12_12_1,id:mp-684509}
RD_014127268980_000 computation Reference Data From Materials Project: {formula:U(Al2Cr)4,spaceGroup:I4/mmm,id:mp-5544}
RD_014134741130_000 computation Reference Data From Materials Project: {formula:LiGa,spaceGroup:Fd-3m,id:mp-1307}
RD_014138417158_000 computation Reference Data From Materials Project: {formula:LiCrP2O7,spaceGroup:P2_1,id:mp-19103}
RD_014146400549_000 computation Reference Data From Materials Project: {formula:Al4Ni3,spaceGroup:Ia-3d,id:mp-16515}
RD_014149045220_000 computation Reference Data From Materials Project: {formula:Ca3SnN,spaceGroup:Pm-3m,id:mp-637179}
RD_014152097943_000 computation Reference Data From Materials Project: {formula:ErHg,spaceGroup:Pm-3m,id:mp-2468}
RD_014156847446_000 computation Reference Data From Materials Project: {formula:Li2Fe(SiO3)2,spaceGroup:Pmn2_1,id:mp-863888}
RD_014165786660_000 computation Reference Data From Materials Project: {formula:SrLaBr5,spaceGroup:P2_1/m,id:mp-756439}
RD_014187651935_000 computation Reference Data From Materials Project: {formula:FePCl8,spaceGroup:Pbcm,id:mp-540760}
RD_014198822026_000 computation Reference Data From Materials Project: {formula:LiBiP2O7,spaceGroup:P2_1/c,id:mp-757559}
RD_014199877483_000 computation Reference Data From Materials Project: {formula:CsBr,spaceGroup:Fm-3m,id:mp-571222}
RD_014220611288_000 computation Reference Data From Materials Project: {formula:BaMoO3,spaceGroup:Pm-3m,id:mp-19322}
RD_014224677905_000 computation Reference Data From Materials Project: {formula:Bi,spaceGroup:Pm-3m,id:mp-567597}
RD_014244229742_000 computation Reference Data From Materials Project: {formula:MnSiNi,spaceGroup:P6_3/mmc,id:mp-567353}
RD_014272583911_000 computation Reference Data From Materials Project: {formula:Rb2Cd3S4,spaceGroup:Pcmn,id:mp-18556}
RD_014286202309_000 computation Reference Data From Materials Project: {formula:DyCo3B2,spaceGroup:P6/mmm,id:mp-20193}
RD_014291141502_000 computation Reference Data From Materials Project: {formula:HfGeB2,spaceGroup:F-43m,id:mp-631549}
RD_014312226615_000 computation Reference Data From Materials Project: {formula:Mn3Al2(SiO4)3,spaceGroup:Ia-3d,id:mp-19553}
RD_014314048425_000 computation Reference Data From Materials Project: {formula:U(HO2)2,spaceGroup:P2_1/c,id:mp-626169}
RD_014314725288_000 computation Reference Data From Materials Project: {formula:Zr5ZnPb3,spaceGroup:P6_3/mcm,id:mp-696132}
RD_014330192469_000 computation Reference Data From Materials Project: {formula:TbFeSi,spaceGroup:P4/nmm,id:mp-21363}
RD_014334099615_000 computation Reference Data From Materials Project: {formula:Ce3(CuSn)4,spaceGroup:Immm,id:mp-542881}
RD_014342089748_000 computation Reference Data From Materials Project: {formula:Li3FeOF3,spaceGroup:P2/c,id:mp-777934}
RD_014345211917_000 computation Reference Data From Materials Project: {formula:SiO2,spaceGroup:Pa3,id:mp-558374}
RD_014349069846_000 computation Reference Data From Materials Project: {formula:Pr2CdNi2,spaceGroup:P4/mbm,id:mp-11990}
RD_014366798190_000 computation Reference Data From Materials Project: {formula:DyCoC2,spaceGroup:C2mm,id:mp-3847}
RD_014377111372_000 computation Reference Data From Materials Project: {formula:Li2Mn2F7,spaceGroup:P2_1,id:mp-764794}
RD_014383220934_000 computation Reference Data From Materials Project: {formula:Mg17Al11Ag,spaceGroup:Cm,id:mp-865489}
RD_014392205401_000 computation Reference Data From Materials Project: {formula:TmRh3C,spaceGroup:Pm-3m,id:mp-10714}
RD_014396442256_000 computation Reference Data From Materials Project: {formula:DyInRh,spaceGroup:P-62m,id:mp-567588}
RD_014401911263_000 computation Reference Data From Materials Project: {formula:HoRh,spaceGroup:Pm-3m,id:mp-2163}
RD_014412474555_000 computation Reference Data From Materials Project: {formula:SbI3Cl8,spaceGroup:P-1,id:mp-23536}
RD_014425908876_000 computation Reference Data From Materials Project: {formula:LiTiP2O7,spaceGroup:P2_1/c,id:mp-762355}
RD_014447795677_000 computation Reference Data From Materials Project: {formula:Li3(Fe2S3)2,spaceGroup:C2/m,id:mp-754052}
RD_014467063686_000 computation Reference Data From Materials Project: {formula:ZnCu3H6(ClO3)2,spaceGroup:P-3m1,id:mp-560161}
RD_014471141680_000 computation Reference Data From Materials Project: {formula:Ca3Cu2(ClO2)2,spaceGroup:I4/mmm,id:mp-23095}
RD_014514175529_000 computation Reference Data From Materials Project: {formula:CaB3H7O9,spaceGroup:P-1,id:mp-720430}
RD_014523974096_000 computation Reference Data From Materials Project: {formula:Li4Mn5(P3O11)2,spaceGroup:P2_1/c,id:mp-540032}
RD_014556144494_000 computation Reference Data From Materials Project: {formula:SnIr,spaceGroup:P6_3/mmc,id:mp-20033}
RD_014582699106_000 computation Reference Data From Materials Project: {formula:Li3FePCO7,spaceGroup:Pm,id:mp-770147}
RD_014583689560_000 computation Reference Data From Materials Project: {formula:FeCo,spaceGroup:Pm-3m,id:mp-2090}
RD_014601263511_000 computation Reference Data From Materials Project: {formula:WO3,spaceGroup:Pm-3m,id:mp-19390}
RD_014626146838_000 computation Reference Data From Materials Project: {formula:Li3MnBPO7,spaceGroup:P2_1/m,id:mp-771732}
RD_014632781584_000 computation Reference Data From Materials Project: {formula:NaAlH2CO5,spaceGroup:Imcm,id:mp-644506}
RD_014634201454_000 computation Reference Data From Materials Project: {formula:LiCoPO4,spaceGroup:R-3,id:mp-765409}
RD_014638270444_000 computation Reference Data From Materials Project: {formula:Li5(FeO2)4,spaceGroup:Cc,id:mp-780312}
RD_014666037297_000 computation Reference Data From Materials Project: {formula:Pr2W2O9,spaceGroup:P2_1/c,id:mp-504559}
RD_014673697377_000 computation Reference Data From Materials Project: {formula:SbPt7,spaceGroup:Fm-3m,id:mp-1030}
RD_014708316404_000 computation Reference Data From Materials Project: {formula:YNi,spaceGroup:Pmcn,id:mp-1364}
RD_014720317900_000 computation Reference Data From Materials Project: {formula:Mn6O5F7,spaceGroup:P1,id:mp-777948}
RD_014728755952_000 computation Reference Data From Materials Project: {formula:Cs2PbCl6,spaceGroup:Fm-3m,id:mp-23425}
RD_014747987329_000 computation Reference Data From Materials Project: {formula:KNd(SO4)2,spaceGroup:P-1,id:mp-558777}
RD_014752926574_000 computation Reference Data From Materials Project: {formula:BiRh,spaceGroup:P6_3/mmc,id:mp-22868}
RD_014783029985_000 computation Reference Data From Materials Project: {formula:MgCuSn,spaceGroup:F-43m,id:mp-636240}
RD_014787728861_000 computation Reference Data From Materials Project: {formula:Li10Sn(PS6)2,spaceGroup:P4_2mc,id:mp-696123}
RD_014787917122_000 computation Reference Data From Materials Project: {formula:YAu,spaceGroup:Pm-3m,id:mp-11261}
RD_014792328598_000 computation Reference Data From Materials Project: {formula:Li3AlMo2(AsO7)2,spaceGroup:P-1,id:mp-565625}
RD_014793705417_000 computation Reference Data From Materials Project: {formula:Cs3Li2F5,spaceGroup:Fmm2,id:mp-558728}
RD_014833534115_000 computation Reference Data From Materials Project: {formula:Ca3V10O25,spaceGroup:P1,id:mp-763453}
RD_014840702700_000 computation Reference Data From Materials Project: {formula:Li2MnCo3O8,spaceGroup:R-3m,id:mp-761737}
RD_014841967606_000 computation Reference Data From Materials Project: {formula:CaTe,spaceGroup:Fm-3m,id:mp-1519}
RD_014859343660_000 computation Reference Data From Materials Project: {formula:NdMgAg2,spaceGroup:Fm-3m,id:mp-866074}
RD_014863608174_000 computation Reference Data From Materials Project: {formula:Na4Ga3Si3ClO12,spaceGroup:P-43n,id:mp-23656}
RD_014887346050_000 computation Reference Data From Materials Project: {formula:SiO2,spaceGroup:Ccce,id:mp-556088}
RD_014916955258_000 computation Reference Data From Materials Project: {formula:Dy2P4O13,spaceGroup:C2/c,id:mp-771306}
RD_014920137121_000 computation Reference Data From Materials Project: {formula:Bi(PO3)4,spaceGroup:C222_1,id:mp-25906}
RD_014925271849_000 computation Reference Data From Materials Project: {formula:LiCr2O4,spaceGroup:C2/c,id:mp-764780}
RD_014940660797_000 computation Reference Data From Materials Project: {formula:FeSiP3O11,spaceGroup:R-3c,id:mp-560618}
RD_014949397760_000 computation Reference Data From Materials Project: {formula:LiZn2Rh,spaceGroup:Fm-3m,id:mp-865912}
RD_014955713127_000 computation Reference Data From Materials Project: {formula:Mo3N2,spaceGroup:P4/mmm,id:mp-673252}
RD_014960751935_000 computation Reference Data From Materials Project: {formula:Na3SiSnBO7,spaceGroup:P2_1/m,id:mp-772986}
RD_014997503185_000 computation Reference Data From Materials Project: {formula:Lu3Al5O12,spaceGroup:Ia-3d,id:mp-14132}
RD_015013543881_000 computation Reference Data From Materials Project: {formula:Lu(SiNi)2,spaceGroup:I4/mmm,id:mp-12100}
RD_015056835355_000 computation Reference Data From Materials Project: {formula:SrLi2Sn,spaceGroup:Fm-3m,id:mp-867171}
RD_015102002109_000 computation Reference Data From Materials Project: {formula:SmBeF4,spaceGroup:P2_1cn,id:mp-505432}
RD_015109116830_000 computation Reference Data From Materials Project: {formula:Ag3H13SeN4O5,spaceGroup:P2_12_12_1,id:mp-695941}
RD_015119010869_000 computation Reference Data From Materials Project: {formula:Eu2LiGe3,spaceGroup:Pmnn,id:mp-637249}
RD_015127379602_000 computation Reference Data From Materials Project: {formula:Cs3SbO3,spaceGroup:P2_13,id:mp-562072}
RD_015152551913_000 computation Reference Data From Materials Project: {formula:LiZnPO4,spaceGroup:Cc,id:mp-652479}
RD_015153070673_000 computation Reference Data From Materials Project: {formula:Sm3TaO7,spaceGroup:C222_1,id:mp-752686}
RD_015157226314_000 computation Reference Data From Materials Project: {formula:Li2Sn2(SO4)3,spaceGroup:Pbcn,id:mp-768755}
RD_015166391561_000 computation Reference Data From Materials Project: {formula:Mg(IO3)2,spaceGroup:P2_1,id:mp-557452}
RD_015214783705_000 computation Reference Data From Materials Project: {formula:CeAlNi,spaceGroup:P-62m,id:mp-11351}
RD_015220203034_000 computation Reference Data From Materials Project: {formula:Li3CoPCO7,spaceGroup:P1,id:mp-767912}
RD_015232439727_000 computation Reference Data From Materials Project: {formula:YTe,spaceGroup:Fm-3m,id:mp-1708}
RD_015260999495_000 computation Reference Data From Materials Project: {formula:Hf2Pd,spaceGroup:I4/mmm,id:mp-11454}
RD_015263862041_000 computation Reference Data From Materials Project: {formula:Li6Gd(BO3)3,spaceGroup:P2_1/c,id:mp-16699}
RD_015271765607_000 computation Reference Data From Materials Project: {formula:Ba2InClO3,spaceGroup:P4/nmm,id:mp-558243}
RD_015275004413_000 computation Reference Data From Materials Project: {formula:Li6Cr9(PO4)8,spaceGroup:P-1,id:mp-31709}
RD_015305135769_000 computation Reference Data From Materials Project: {formula:Na4Ga3Si3BrO12,spaceGroup:P-43n,id:mp-23659}
RD_015339983511_000 computation Reference Data From Materials Project: {formula:Ge3PbO7,spaceGroup:Pcab,id:mp-29217}
RD_015352001215_000 computation Reference Data From Materials Project: {formula:BaGa2B2O7,spaceGroup:Cmcm,id:mp-560870}
RD_015373212813_000 computation Reference Data From Materials Project: {formula:NdCuSb2,spaceGroup:P4/nmm,id:mp-20020}
RD_015397779066_000 computation Reference Data From Materials Project: {formula:Ce3Y4O12,spaceGroup:Cm,id:mp-755046}
RD_015404913440_000 computation Reference Data From Materials Project: {formula:Eu(Sb3Os)4,spaceGroup:Im3,id:mp-640956}
RD_015427125135_000 computation Reference Data From Materials Project: {formula:Cs2SiP4(HO7)2,spaceGroup:P-1,id:mp-697078}
RD_015461911924_000 computation Reference Data From Materials Project: {formula:Ni4P4O15,spaceGroup:C2/c,id:mp-585202}
RD_015491370093_000 computation Reference Data From Materials Project: {formula:ThSnAu2,spaceGroup:Fm-3m,id:mp-866174}
RD_015495112211_000 computation Reference Data From Materials Project: {formula:Sr16Cu8BC7O40,spaceGroup:P1,id:mp-686590}
RD_015506642635_000 computation Reference Data From Materials Project: {formula:Na5Bi2As(CO4)4,spaceGroup:Fd2d,id:mp-776697}
RD_015516452411_000 computation Reference Data From Materials Project: {formula:YInRh2,spaceGroup:Fm-3m,id:mp-866163}
RD_015525864034_000 computation Reference Data From Materials Project: {formula:Ag3F8,spaceGroup:P2_1/c,id:mp-562412}
RD_015596848373_000 computation Reference Data From Materials Project: {formula:Sr3Ag2,spaceGroup:R-3,id:mp-30357}
RD_015605447992_000 computation Reference Data From Materials Project: {formula:RbCaAs,spaceGroup:P4/nmm,id:mp-9845}
RD_015614467132_000 computation Reference Data From Materials Project: {formula:VOF3,spaceGroup:Pc,id:mp-779943}
RD_015652902935_000 computation Reference Data From Materials Project: {formula:Li4Ga3Si3IO12,spaceGroup:P-43n,id:mp-557112}
RD_015661553439_000 computation Reference Data From Materials Project: {formula:Li2VNiO4,spaceGroup:Imma,id:mp-767023}
RD_015666667006_000 computation Reference Data From Materials Project: {formula:Bi4Te7Pb,spaceGroup:P-3m1,id:mp-23005}
RD_015673310415_000 computation Reference Data From Materials Project: {formula:NbNiP,spaceGroup:Pmnb,id:mp-20932}
RD_015714721238_000 computation Reference Data From Materials Project: {formula:Na3Li3Fe2F12,spaceGroup:Ia-3d,id:mp-561280}
RD_015724174737_000 computation Reference Data From Materials Project: {formula:CaZnSO,spaceGroup:P6_3mc,id:mp-7204}
RD_015745870667_000 computation Reference Data From Materials Project: {formula:Tl9SbTe6,spaceGroup:P4/m,id:mp-686086}
RD_015751376755_000 computation Static VASP pseudpotential GGA-PBE DFT calculation of the potential energy and atomic forces acting on a random cluster of 3 silicon atoms (this should correspond to the unrelaxed configuration used in KIM Tests ClusterEnergyAndForces_3atom_Si__TE_796099939753_000 and ClusterEnergyAndForces_3atom_Si__TE_796099939753_001). A plane-wave basis with an energy cutoff of 250 eV was used. A 1 x 1 x 1 gamma-centered Monkhorst-Pack k-point mesh was used (generating a total of 1 irredundant k-point).
RD_015768286046_000 computation Reference Data From Materials Project: {formula:Er(FeGe)2,spaceGroup:I4/mmm,id:mp-5451}
RD_015774442824_000 computation Reference Data From Materials Project: {formula:Cu4P2O9,spaceGroup:Pmnb,id:mp-21730}
RD_015786319055_000 computation Reference Data From Materials Project: {formula:Sr5U3O14,spaceGroup:Pbca,id:mp-29743}
RD_015786908623_000 computation Reference Data From Materials Project: {formula:NdTeF,spaceGroup:P4/nmm,id:mp-12621}
RD_015811271854_000 computation Reference Data From Materials Project: {formula:Tb2O3,spaceGroup:Pn-3m,id:mp-32927}
RD_015825134074_000 computation Reference Data From Materials Project: {formula:Li5Sm3(SbO6)2,spaceGroup:P1,id:mp-774794}
RD_015825220918_000 computation Reference Data From Materials Project: {formula:Bi6As9Se4S10(O4F13)5,spaceGroup:P-1,id:mp-556278}
RD_015831078580_000 computation Reference Data From Materials Project: {formula:Ba2WO3F4,spaceGroup:Cc,id:mp-19234}
RD_015836474188_000 computation Reference Data From Materials Project: {formula:LiBF4,spaceGroup:P3_121,id:mp-12403}
RD_015872875639_000 computation Reference Data From Materials Project: {formula:HgSe,spaceGroup:F-43m,id:mp-820}
RD_015893814627_000 computation Static VASP pseudpotential GGA-PBE DFT calculation of the potential energy and atomic forces acting on a randomly perturbed 64-atom simple hexagonal unit cell of silicon atoms (this should correspond to the unrelaxed configuration used in KIM Tests TriclinicPBCEnergyAndForces_sh_64atom_Si__TE_645984669981_000 and TriclinicPBCEnergyAndForces_sh_64atom_Si__TE_645984669981_001). A plane-wave basis with an energy cutoff of 250 eV was used. A 6 x 6 x 6 gamma-centered Monkhorst-Pack k-point mesh was used (generating a total of 108 irredundant k-points).
RD_015895415960_000 computation Reference Data From Materials Project: {formula:Ce,spaceGroup:Cmcm,id:mp-64}
RD_015905224011_000 computation Reference Data From Materials Project: {formula:KI,spaceGroup:Fm-3m,id:mp-22898}
RD_015932597238_000 computation Reference Data From Materials Project: {formula:Na3Hg,spaceGroup:Fm-3m,id:mp-29551}
RD_015933409508_000 computation Reference Data From Materials Project: {formula:Cu2SO5,spaceGroup:C2/m,id:mp-4386}
RD_015954984158_000 computation Reference Data From Materials Project: {formula:Na2Al2Si3(HO3)4,spaceGroup:P1,id:mp-691091}
RD_015991653267_000 computation Reference Data From Materials Project: {formula:Ba8Ce7YHO24,spaceGroup:P1,id:mp-695164}
RD_016008750094_000 computation Reference Data From Materials Project: {formula:Na6Bi2B4SO16,spaceGroup:Fd3,id:mp-779289}
RD_016027265609_000 computation Reference Data From Materials Project: {formula:Ce3NF6,spaceGroup:P1,id:mp-675921}
RD_016030147760_000 computation Reference Data From Materials Project: {formula:Ho5Sb3,spaceGroup:P6_3/mcm,id:mp-2681}
RD_016050985090_000 computation Static VASP pseudpotential GGA-PBE DFT calculation of the potential energy and atomic forces acting on a randomly perturbed 2-atom bcc unit cell of silicon atoms (this should correspond to the unrelaxed configuration used in KIM Tests TriclinicPBCEnergyAndForces_bcc_2atom_Si__TE_091010907707_000 and TriclinicPBCEnergyAndForces_bcc_2atom_Si__TE_091010907707_001). A plane-wave basis with an energy cutoff of 250 eV was used. A 11 x 11 x 11 gamma-centered Monkhorst-Pack k-point mesh was used (generating a total of 666 irredundant k-points).
RD_016051149262_000 computation Reference Data From Materials Project: {formula:EuTl,spaceGroup:Pm-3m,id:mp-542584}
RD_016056270469_000 computation Reference Data From Materials Project: {formula:Yb3Ti3O14,spaceGroup:C2/m,id:mp-676370}
RD_016085942066_000 computation Reference Data From Materials Project: {formula:Sr(CrAs)2,spaceGroup:I4/mmm,id:mp-570031}
RD_016092073765_000 computation Reference Data From Materials Project: {formula:HC5N3(OF4)2,spaceGroup:P2_1/c,id:mp-707177}
RD_016110700656_000 computation Reference Data From Materials Project: {formula:NbBW,spaceGroup:F-43m,id:mp-631531}
RD_016113229551_000 computation Reference Data From Materials Project: {formula:Lu11Te4,spaceGroup:C2/m,id:mp-569141}
RD_016116124826_000 computation Reference Data From Materials Project: {formula:Rb2CoI4,spaceGroup:P2_1/m,id:mp-27517}
RD_016125777241_000 computation Reference Data From Materials Project: {formula:Cu2(SO4)3,spaceGroup:P2_1/c,id:mp-768512}
RD_016138657905_000 computation Reference Data From Materials Project: {formula:Na3ScBr6,spaceGroup:P-31c,id:mp-29417}
RD_016151890054_000 computation Reference Data From Materials Project: {formula:LiFeF4,spaceGroup:Pnma,id:mp-778512}
RD_016163867440_000 computation Static VASP pseudpotential GGA-PBE DFT calculation of the potential energy and atomic forces acting on a random cluster of 6 silicon atoms (this should correspond to the unrelaxed configuration used in KIM Tests ClusterEnergyAndForces_6atom_Si__TE_470544055322_000 and ClusterEnergyAndForces_6atom_Si__TE_470544055322_001). A plane-wave basis with an energy cutoff of 250 eV was used. A 1 x 1 x 1 gamma-centered Monkhorst-Pack k-point mesh was used (generating a total of 1 irredundant k-point).
RD_016165530212_000 computation Reference Data From Materials Project: {formula:DyNiBi,spaceGroup:F-43m,id:mp-30452}
RD_016166683514_000 computation Reference Data From Materials Project: {formula:Na3LiMg4(Si2O5)6,spaceGroup:Ccc2,id:mp-695366}
RD_016171282753_000 computation Reference Data From Materials Project: {formula:Pu2S3,spaceGroup:I-42d,id:mp-33239}
RD_016171882434_000 computation Reference Data From Materials Project: {formula:Li2CuSn,spaceGroup:F-43m,id:mp-30591}
RD_016173731634_000 computation Reference Data From Materials Project: {formula:KBC4NF9,spaceGroup:Pbnm,id:mp-559648}
RD_016186760257_000 computation Reference Data From Materials Project: {formula:V(NiP4)4,spaceGroup:C2/c,id:mp-30540}
RD_016203937009_000 computation Reference Data From Materials Project: {formula:Li2Fe3CuO8,spaceGroup:R-3m,id:mp-772689}
RD_016209721328_000 computation Reference Data From Materials Project: {formula:Rb(CoS)2,spaceGroup:I4/mmm,id:mp-560663}
RD_016210484423_000 computation Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:R-3m,id:mp-757070}
RD_016218825058_000 computation Reference Data From Materials Project: {formula:ZrAlPt2,spaceGroup:P6_3/mmc,id:mp-10906}
RD_016224714636_000 computation Reference Data From Materials Project: {formula:Ba2DyBiO6,spaceGroup:Fm-3m,id:mp-545659}
RD_016239175726_000 computation Reference Data From Materials Project: {formula:Ca6Pr6Mn11CrO36,spaceGroup:P1,id:mp-706248}
RD_016241044460_000 computation Reference Data From Materials Project: {formula:Ba6Er2Ga4O15,spaceGroup:P2/c,id:mp-555481}
RD_016272131832_000 computation Reference Data From Materials Project: {formula:Sm(NiSn)2,spaceGroup:I4/mmm,id:mp-571561}
RD_016285586404_000 computation Reference Data From Materials Project: {formula:VS2,spaceGroup:P-3m1,id:mp-9561}
RD_016293773123_000 computation Reference Data From Materials Project: {formula:CrSbO4,spaceGroup:Imcm,id:mp-868640}
RD_016296790301_000 computation Reference Data From Materials Project: {formula:Dy3Ge4,spaceGroup:Cmcm,id:mp-655448}
RD_016323884708_000 computation Reference Data From Materials Project: {formula:LiPd3,spaceGroup:Pm-3m,id:mp-861936}
RD_016339213423_000 computation Reference Data From Materials Project: {formula:Co(NiO2)2,spaceGroup:Fd-3m,id:mp-769882}
RD_016345434508_000 computation Reference Data From Materials Project: {formula:HoIn5Co,spaceGroup:P4/mmm,id:mp-21398}
RD_016352748622_000 computation Reference Data From Materials Project: {formula:Ca19(Cu12O23)2,spaceGroup:P1,id:mp-760021}
RD_016361893255_000 computation Reference Data From Materials Project: {formula:Cs(BH)6,spaceGroup:Fm3,id:mp-24136}
RD_016362950877_000 computation Reference Data From Materials Project: {formula:SiRh,spaceGroup:Pmnb,id:mp-818}
RD_016364782272_000 computation Reference Data From Materials Project: {formula:Li4MgNi3O8,spaceGroup:R-3m,id:mp-771730}
RD_016380951234_000 computation Reference Data From Materials Project: {formula:B2S3,spaceGroup:P2_1/c,id:mp-572670}
RD_016396035056_000 computation Reference Data From Materials Project: {formula:AlNi3,spaceGroup:Pm-3m,id:mp-2593}
RD_016407399635_000 computation Reference Data From Materials Project: {formula:Ho4InIr,spaceGroup:F-43m,id:mp-567479}
RD_016424520040_000 computation Reference Data From Materials Project: {formula:ZnRh,spaceGroup:Pm-3m,id:mp-6938}
RD_016426765260_000 computation Reference Data From Materials Project: {formula:Nb6Co16Si7,spaceGroup:Fm-3m,id:mp-541938}
RD_016458829502_000 computation Reference Data From Materials Project: {formula:Li4TiMn3O8,spaceGroup:P1,id:mp-771622}
RD_016460739445_000 computation Reference Data From Materials Project: {formula:H5NO,spaceGroup:P2_12_12_1,id:mp-625924}
RD_016471426737_000 computation Reference Data From Materials Project: {formula:Na6Fe2B4PO16,spaceGroup:Fd3,id:mp-772422}
RD_016488465975_000 computation Reference Data From Materials Project: {formula:BaDy2CoO5,spaceGroup:Pmcn,id:mp-19364}
RD_016495193518_000 computation Reference Data From Materials Project: {formula:Li4V2(PO4)3,spaceGroup:R-3c,id:mp-770403}
RD_016496048986_000 computation Reference Data From Materials Project: {formula:LiNbRh2,spaceGroup:Fm-3m,id:mp-864631}
RD_016555110600_000 computation Reference Data From Materials Project: {formula:Li2Mn3O4F3,spaceGroup:P1,id:mp-767162}
RD_016556341638_000 computation Reference Data From Materials Project: {formula:CeCd2,spaceGroup:P6/mmm,id:mp-866189}
RD_016557438963_000 computation Reference Data From Materials Project: {formula:YMgZn2,spaceGroup:Fm-3m,id:mp-865515}
RD_016581155129_000 computation Reference Data From Materials Project: {formula:Li2Cr2P4H3O16,spaceGroup:P1,id:mp-763238}
RD_016583966089_000 computation Reference Data From Materials Project: {formula:RbHgSbSe3,spaceGroup:P2_1/c,id:mp-6300}
RD_016585675221_000 computation Reference Data From Materials Project: {formula:Li3Fe(PO4)2,spaceGroup:P2_1/c,id:mp-761558}
RD_016586659141_000 computation Reference Data From Materials Project: {formula:KAlTe2,spaceGroup:C2/c,id:mp-18347}
RD_016598013837_000 computation Reference Data From Materials Project: {formula:CuTe2I,spaceGroup:P2_1/c,id:mp-31037}
RD_016621236744_000 computation Reference Data From Materials Project: {formula:KAg(PO3)2,spaceGroup:P2_1/c,id:mp-557874}
RD_016639731693_000 computation Reference Data From Materials Project: {formula:V6O5F19,spaceGroup:P1,id:mp-782658}
RD_016643580283_000 computation Reference Data From Materials Project: {formula:Li2Si5Ni5O16,spaceGroup:P1,id:mp-761373}
RD_016656588075_000 computation Reference Data From Materials Project: {formula:Al2SiO5,spaceGroup:Pmcn,id:mp-4934}
RD_016660070274_000 computation Reference Data From Materials Project: {formula:Ag25(BiO6)3,spaceGroup:P-3,id:mp-28729}
RD_016665854358_000 computation Reference Data From Materials Project: {formula:Na2Gd2B2O7,spaceGroup:P2_1/c,id:mp-583646}
RD_016667304884_000 computation Reference Data From Materials Project: {formula:V(FeO2)2,spaceGroup:Imma,id:mp-690463}
RD_016671773077_000 computation Reference Data From Materials Project: {formula:Ca3GaAs3,spaceGroup:Pmnb,id:mp-541062}
RD_016700060497_000 computation Reference Data From Materials Project: {formula:Tl2SeO4,spaceGroup:C2/c,id:mp-675953}
RD_016724274901_000 computation Reference Data From Materials Project: {formula:MgSiO3,spaceGroup:C2,id:mp-530986}
RD_016726021599_000 computation Reference Data From Materials Project: {formula:V2P2O9,spaceGroup:Pca2_1,id:mp-578793}
RD_016740330076_000 computation Reference Data From Materials Project: {formula:LiCuF4,spaceGroup:P2_1/c,id:mp-753257}
RD_016808058990_000 computation Reference Data From Materials Project: {formula:U3Se4,spaceGroup:I-43d,id:mp-20328}
RD_016815103859_000 computation Reference Data From Materials Project: {formula:CaP4O11,spaceGroup:Cmce,id:mp-559985}
RD_016822682802_000 computation Reference Data From Materials Project: {formula:LiHg2Pd,spaceGroup:Fm-3m,id:mp-861896}
RD_016829869350_000 computation Reference Data From Materials Project: {formula:Nb3PbS6,spaceGroup:P6_3/mcm,id:mp-21852}
RD_016846025311_000 computation Reference Data From Materials Project: {formula:Nd2MnNiO6,spaceGroup:P2_1/c,id:mp-18899}
RD_016848312942_000 computation Reference Data From Materials Project: {formula:TiCo3,spaceGroup:Pm-3m,id:mp-608}
RD_016869086972_000 computation Reference Data From Materials Project: {formula:P4WO12,spaceGroup:C2/c,id:mp-767549}
RD_016876343773_000 computation Reference Data From Materials Project: {formula:LuCuSe2,spaceGroup:P3m1,id:mp-677241}
RD_016889409936_000 computation Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Pm,id:mp-850168}
RD_016903553748_000 computation Reference Data From Materials Project: {formula:LiVF5,spaceGroup:Pna2_1,id:mp-767589}
RD_016914352438_000 computation Reference Data From Materials Project: {formula:CaAlH5,spaceGroup:P2_12_12_1,id:mp-654956}
RD_016978567179_000 computation Reference Data From Materials Project: {formula:UV2O6,spaceGroup:P-31m,id:mp-25121}
RD_016981428806_000 computation Reference Data From Materials Project: {formula:USb2,spaceGroup:P4/nmm,id:mp-2707}
RD_016991809741_000 computation Reference Data From Materials Project: {formula:Ba3(BO3)2,spaceGroup:R-3c,id:mp-755417}
RD_016992633341_000 computation Reference Data From Materials Project: {formula:CdAu,spaceGroup:Pm-3m,id:mp-2757}
RD_016997892824_000 computation Reference Data From Materials Project: {formula:AcH3,spaceGroup:Fm-3m,id:mp-861605}
RD_017000144276_000 computation Reference Data From Materials Project: {formula:Li3Co3NiO8,spaceGroup:R-3m,id:mp-767944}
RD_017004175713_000 computation Reference Data From Materials Project: {formula:Mg(Mo3S4)2,spaceGroup:P1,id:mp-676282}
RD_017005072457_000 computation Reference Data From Materials Project: {formula:CaPr2Ti2ZnO9,spaceGroup:P1,id:mp-686602}
RD_017034904204_000 computation Reference Data From Materials Project: {formula:MgCd3,spaceGroup:P6_3/mmc,id:mp-30491}
RD_017049327495_000 computation Reference Data From Materials Project: {formula:K6Fe24S26Cl,spaceGroup:I4/mmm,id:mp-680728}
RD_017069206548_000 computation Reference Data From Materials Project: {formula:Yb2Sn2O7,spaceGroup:Fd-3m,id:mp-20342}
RD_017086154040_000 computation Reference Data From Materials Project: {formula:NaCaAlH2OF6,spaceGroup:P2_1/c,id:mp-697278}
RD_017086406781_000 computation Reference Data From Materials Project: {formula:PrB2ClO4,spaceGroup:P-1,id:mp-556450}
RD_017101631456_000 computation Reference Data From Materials Project: {formula:Ta3(OF)5,spaceGroup:Immm,id:mp-756593}
RD_017134796776_000 computation Reference Data From Materials Project: {formula:Mg(HO)2,spaceGroup:P3m1,id:mp-626149}
RD_017146839229_000 computation Reference Data From Materials Project: {formula:Pd7Se2,spaceGroup:P2_1/c,id:mp-618}
RD_017148104530_000 computation Reference Data From Materials Project: {formula:H10C3IN,spaceGroup:P2_1/m,id:mp-567221}
RD_017170253378_000 computation Reference Data From Materials Project: {formula:Al2FeIr,spaceGroup:Fm-3m,id:mp-866031}
RD_017170476149_000 computation Reference Data From Materials Project: {formula:Zr2NiAs2,spaceGroup:P6_3/mmc,id:mp-8786}
RD_017185999091_000 computation Reference Data From Materials Project: {formula:Li4Ni7O11,spaceGroup:P-1,id:mp-768091}
RD_017186535530_000 computation Static VASP pseudpotential GGA-PBE DFT calculation of the potential energy and atomic forces acting on a randomly perturbed 2-atom bcc unit cell of silicon atoms (this should correspond to the unrelaxed configuration used in KIM Tests TriclinicPBCEnergyAndForces_bcc_2atom_Si__TE_372452648995_000 and TriclinicPBCEnergyAndForces_bcc_2atom_Si__TE_372452648995_001). A plane-wave basis with an energy cutoff of 250 eV was used. A 11 x 11 x 11 gamma-centered Monkhorst-Pack k-point mesh was used (generating a total of 666 irredundant k-points).
RD_017199967819_000 computation Reference Data From Materials Project: {formula:Y2MgAl,spaceGroup:Fm-3m,id:mp-865602}
RD_017230373660_000 computation Reference Data From Materials Project: {formula:CaTaF7,spaceGroup:P2_1/c,id:mp-558235}
RD_017237106280_000 computation Reference Data From Materials Project: {formula:NClOF4,spaceGroup:I4cm,id:mp-556500}
RD_017265778855_000 computation Reference Data From Materials Project: {formula:CrPdH12(NO)4,spaceGroup:I4_1/amd,id:mp-746364}
RD_017275005952_000 computation Reference Data From Materials Project: {formula:AlV3,spaceGroup:Pm-3n,id:mp-1387}
RD_017278033176_000 computation Reference Data From Materials Project: {formula:LaCdHg2,spaceGroup:Fm-3m,id:mp-862262}
RD_017323557272_000 computation Reference Data From Materials Project: {formula:NbSe2,spaceGroup:P-6m2,id:mp-571270}
RD_017332310831_000 computation Reference Data From Materials Project: {formula:FeAgTe2,spaceGroup:P-3m1,id:mp-29659}
RD_017343262846_000 computation Reference Data From Materials Project: {formula:NdO2,spaceGroup:Fm-3m,id:mp-754125}
RD_017388769638_000 computation Reference Data From Materials Project: {formula:LuMgZn2,spaceGroup:Fm-3m,id:mp-865256}
RD_017397776419_000 computation Reference Data From Materials Project: {formula:LiCr2(PO4)2,spaceGroup:P-1,id:mp-767139}
RD_017405905267_000 computation Reference Data From Materials Project: {formula:Rb4Te2S8O15,spaceGroup:Pbcn,id:mp-867999}
RD_017415680023_000 computation Reference Data From Materials Project: {formula:PmZn3,spaceGroup:P6_3/mmc,id:mp-862732}
RD_017417914052_000 computation Reference Data From Materials Project: {formula:Cr2AsSe,spaceGroup:P-6m2,id:mp-676270}
RD_017438840548_000 computation Reference Data From Materials Project: {formula:InAgTe2,spaceGroup:P3m1,id:mp-675371}
RD_017446489524_000 computation Reference Data From Materials Project: {formula:Li2VF7,spaceGroup:Imm2,id:mp-766916}
RD_017476429136_000 computation Reference Data From Materials Project: {formula:Na3WO4F,spaceGroup:Pnma,id:mp-565594}
RD_017505605786_000 computation Reference Data From Materials Project: {formula:KLa(PO3)4,spaceGroup:Ccm2_1,id:mp-642350}
RD_017508794356_000 computation Reference Data From Materials Project: {formula:TaN,spaceGroup:P6_3/mmc,id:mp-570604}
RD_017512324089_000 computation Reference Data From Materials Project: {formula:Nd2Ge2Ir,spaceGroup:C2/m,id:mp-22768}
RD_017533081835_000 computation Reference Data From Materials Project: {formula:Er3Al3NiGe2,spaceGroup:P-62m,id:mp-12388}
RD_017538908916_000 computation Reference Data From Materials Project: {formula:TbCo3B2,spaceGroup:P6/mmm,id:mp-3040}
RD_017579289440_000 computation Reference Data From Materials Project: {formula:MnFe(PO4)2,spaceGroup:P2_1/m,id:mp-773263}
RD_017626820337_000 computation Reference Data From Materials Project: {formula:Ba4OF6,spaceGroup:P6_3mc,id:mp-755009}
RD_017642595788_000 computation Reference Data From Materials Project: {formula:RbTaGeS5,spaceGroup:P-1,id:mp-867823}
RD_017664090736_000 computation Reference Data From Materials Project: {formula:SeO2,spaceGroup:P4_2/mbc,id:mp-726}
RD_017678082470_000 computation Reference Data From Materials Project: {formula:MgSc2Tc,spaceGroup:Fm-3m,id:mp-866082}
RD_017684053863_000 computation Reference Data From Materials Project: {formula:V3(O2F)2,spaceGroup:P-1,id:mp-849668}
RD_017691152837_000 computation Reference Data From Materials Project: {formula:CoMoH2SeO7,spaceGroup:P-1,id:mp-866972}
RD_017694732178_000 computation Reference Data From Materials Project: {formula:Ba2SbAu,spaceGroup:Fm-3m,id:mp-862631}
RD_017712354700_000 computation Reference Data From Materials Project: {formula:CoReGe2,spaceGroup:F-43m,id:mp-631310}
RD_017729742981_000 computation Reference Data From Materials Project: {formula:K2Zr(SiO3)3,spaceGroup:P6_3/m,id:mp-6600}
RD_017769993683_000 computation Reference Data From Materials Project: {formula:Ag2S,spaceGroup:C2/m,id:mp-32884}
RD_017771309713_000 computation Reference Data From Materials Project: {formula:H4SO5,spaceGroup:P1,id:mp-626172}
RD_017789221465_000 computation Reference Data From Materials Project: {formula:Zr7VO16,spaceGroup:P1,id:mp-868488}
RD_017789614334_000 computation Reference Data From Materials Project: {formula:Cd4NiH20(ClO)10,spaceGroup:P2_1/c,id:mp-745114}
RD_017808409419_000 computation Reference Data From Materials Project: {formula:CeBe13,spaceGroup:Fm-3c,id:mp-457}
RD_017821627196_000 computation Reference Data From Materials Project: {formula:LiDy2Ru,spaceGroup:Fm-3m,id:mp-867111}
RD_017825299573_000 computation Reference Data From Materials Project: {formula:Li2CeAs2,spaceGroup:P-3m1,id:mp-8152}
RD_017827341901_000 computation Reference Data From Materials Project: {formula:LiSb(PO3)4,spaceGroup:C2/c,id:mp-759587}
RD_017835098521_000 computation Reference Data From Materials Project: {formula:La4CdCo,spaceGroup:F-43m,id:mp-581510}
RD_017848271392_000 computation Reference Data From Materials Project: {formula:Li2CrO4,spaceGroup:P-1,id:mp-763266}
RD_017856508900_000 computation Reference Data From Materials Project: {formula:LiDy2Tc,spaceGroup:Fm-3m,id:mp-862588}
RD_017877041327_000 computation Reference Data From Materials Project: {formula:Ca3Nb4(O6F)2,spaceGroup:P4_332,id:mp-554801}
RD_017879955753_000 computation Reference Data From Materials Project: {formula:K2SiP2,spaceGroup:Imcb,id:mp-8235}
RD_017897279579_000 computation Reference Data From Materials Project: {formula:Fe2O3F,spaceGroup:Pmc2_1,id:mp-779923}
RD_017911595761_000 computation Reference Data From Materials Project: {formula:Sr10P6SO24,spaceGroup:P-3,id:mp-17447}
RD_017919027555_000 computation Reference Data From Materials Project: {formula:PrMg3,spaceGroup:Fm-3m,id:mp-428}
RD_017919208882_000 computation Reference Data From Materials Project: {formula:Lu2In,spaceGroup:P6_3/mmc,id:mp-1250}
RD_017929071580_000 computation Reference Data From Materials Project: {formula:LiBeSb,spaceGroup:P6_3mc,id:mp-9575}
RD_017932077658_000 computation Reference Data From Materials Project: {formula:BaTi4O9,spaceGroup:Pmnm,id:mp-3175}
RD_017932628546_000 computation Reference Data From Materials Project: {formula:HgAs4(S2I)2,spaceGroup:P2_1/c,id:mp-554735}
RD_017962154455_000 computation Reference Data From Materials Project: {formula:TbZnNi,spaceGroup:P-62m,id:mp-13536}
RD_018015862305_000 computation Reference Data From Materials Project: {formula:LiMnCo3O8,spaceGroup:R-3m,id:mp-778023}
RD_018040324862_000 computation Reference Data From Materials Project: {formula:SmB6,spaceGroup:Pm-3m,id:mp-6996}
RD_018057440979_000 computation Reference Data From Materials Project: {formula:NaCa2V3(CuO6)2,spaceGroup:I4_1/acd,id:mp-694896}
RD_018060340237_000 computation Reference Data From Materials Project: {formula:Li2Cu2(SO4)3,spaceGroup:C2/c,id:mp-768832}
RD_018074250592_000 computation Reference Data From Materials Project: {formula:MoP2NCl12,spaceGroup:P2_1/c,id:mp-582976}
RD_018083561065_000 computation Reference Data From Materials Project: {formula:LiPt7,spaceGroup:Fm-3m,id:mp-30765}
RD_018091350240_000 computation Reference Data From Materials Project: {formula:ZnH2(SeO4)2,spaceGroup:P2_1/c,id:mp-24547}
RD_018095211826_000 computation Reference Data From Materials Project: {formula:Y3Si2ClO8,spaceGroup:Pbnm,id:mp-558883}
RD_018098036479_000 computation Reference Data From Materials Project: {formula:Dy2Nb2O7,spaceGroup:Fd-3m,id:mp-754120}
RD_018150855564_000 computation Reference Data From Materials Project: {formula:Er5C2Br9,spaceGroup:P2_1/c,id:mp-29401}
RD_018151792532_000 computation Reference Data From Materials Project: {formula:U6Co12Ge4C,spaceGroup:Im-3m,id:mp-865440}
RD_018154265342_000 computation Reference Data From Materials Project: {formula:B13P2,spaceGroup:R-3m,id:mp-13862}
RD_018154726279_000 computation Reference Data From Materials Project: {formula:NdCd,spaceGroup:Pm-3m,id:mp-1059}
RD_018158701871_000 computation Reference Data From Materials Project: {formula:CeB2Ru3,spaceGroup:P6/mmm,id:mp-5940}
RD_018175499112_000 computation Reference Data From Materials Project: {formula:NaCu(IO3)3,spaceGroup:P-1,id:mp-554430}
RD_018208518796_000 computation Reference Data From Materials Project: {formula:La3AgSnSe7,spaceGroup:P6_3,id:mp-17155}
RD_018212297784_000 computation Reference Data From Materials Project: {formula:Pu(CrSi)2,spaceGroup:I4/mmm,id:mp-19838}
RD_018232767022_000 computation Reference Data From Materials Project: {formula:HI3O8,spaceGroup:P2_1/c,id:mp-542694}
RD_018250879716_000 computation Reference Data From Materials Project: {formula:La2Nb2N2O5,spaceGroup:P1,id:mp-776823}
RD_018259444151_000 computation Reference Data From Materials Project: {formula:LiMn2(SO4)3,spaceGroup:R-3c,id:mp-770141}
RD_018285818901_000 computation Reference Data From Materials Project: {formula:USiRh,spaceGroup:Pmnb,id:mp-20184}
RD_018294376046_000 computation Reference Data From Materials Project: {formula:Eu3RbF10,spaceGroup:Fm-3m,id:mp-504520}
RD_018334137661_000 computation Reference Data From Materials Project: {formula:MgGa2,spaceGroup:P6_3/mmc,id:mp-30651}
RD_018361473255_000 computation Reference Data From Materials Project: {formula:NiTe,spaceGroup:P6_3/mmc,id:mp-203}
RD_018427615626_000 computation Reference Data From Materials Project: {formula:BaBe2Te,spaceGroup:Fm-3m,id:mp-631532}
RD_018432003762_000 computation Reference Data From Materials Project: {formula:Ce2(Al5Ru)3,spaceGroup:P6_3/mcm,id:mp-567554}
RD_018440366090_000 computation Reference Data From Materials Project: {formula:MnSiO3,spaceGroup:I4_1/a,id:mp-699377}
RD_018455020829_000 computation Reference Data From Materials Project: {formula:Rb,spaceGroup:Im-3m,id:mp-70}
RD_018479393231_000 computation Reference Data From Materials Project: {formula:BaSr2I6,spaceGroup:P321,id:mp-752439}
RD_018483152611_000 computation Reference Data From Materials Project: {formula:ErB3Mo,spaceGroup:P2_1/m,id:mp-5426}
RD_018514498577_000 computation Reference Data From Materials Project: {formula:Ho3(AlNi3)2,spaceGroup:Im-3m,id:mp-30791}
RD_018530580920_000 computation Reference Data From Materials Project: {formula:LiCoPO4,spaceGroup:P-1,id:mp-761821}
RD_018533372117_000 computation Reference Data From Materials Project: {formula:ScCuS2,spaceGroup:P3m1,id:mp-6980}
RD_018542490019_000 computation Reference Data From Materials Project: {formula:TiSiTc2,spaceGroup:Fm-3m,id:mp-865669}
RD_018560915645_000 computation Reference Data From Materials Project: {formula:Ag3AuSe2,spaceGroup:I4_132,id:mp-3172}
RD_018568203661_000 computation Reference Data From Materials Project: {formula:Li3SiSnBO7,spaceGroup:P2_1/m,id:mp-770756}
RD_018580110935_000 computation Reference Data From Materials Project: {formula:LiI,spaceGroup:P6_3mc,id:mp-570935}
RD_018593343614_000 computation Reference Data From Materials Project: {formula:TbInIr,spaceGroup:P-62m,id:mp-22032}
RD_018597909348_000 computation Reference Data From Materials Project: {formula:CsErS2,spaceGroup:R-3m,id:mp-561751}
RD_018604847718_000 computation Reference Data From Materials Project: {formula:Yb2O3,spaceGroup:Ia3,id:mp-2814}
RD_018665629425_000 computation Reference Data From Materials Project: {formula:TiS,spaceGroup:P6_3/mmc,id:mp-554462}
RD_018670535685_000 computation Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P3_2,id:mp-777247}
RD_018679478304_000 computation Reference Data From Materials Project: {formula:Si3Bi2O9,spaceGroup:P6_3/m,id:mp-558672}
RD_018684464259_000 computation Reference Data From Materials Project: {formula:CsEr13(CoI12)2,spaceGroup:Pa3,id:mp-647152}
RD_018685845409_000 computation Reference Data From Materials Project: {formula:Al2ZnO4,spaceGroup:Imma,id:mp-34210}
RD_018699781362_000 computation Reference Data From Materials Project: {formula:Zn2In2S5,spaceGroup:R3m,id:mp-542644}
RD_018704980040_000 computation Reference Data From Materials Project: {formula:P10Au7I,spaceGroup:P-31m,id:mp-570238}
RD_018707938172_000 computation Reference Data From Materials Project: {formula:CdGe(BiO3)2,spaceGroup:Pnab,id:mp-555027}
RD_018716233112_000 computation Reference Data From Materials Project: {formula:Sr2GeO4,spaceGroup:P2_1/c,id:mp-542085}
RD_018733632602_000 computation Reference Data From Materials Project: {formula:Nd3CuGeS7,spaceGroup:P6_3,id:mp-554150}
RD_018775759551_000 computation Reference Data From Materials Project: {formula:Rb3PbCl5,spaceGroup:Pbnm,id:mp-29883}
RD_018803961703_000 computation Reference Data From Materials Project: {formula:Ba6Na2V2Ru2O17,spaceGroup:P6_3/mmc,id:mp-19501}
RD_018806649011_000 computation Reference Data From Materials Project: {formula:LiMnP2O7,spaceGroup:P2_1/c,id:mp-32022}
RD_018815194834_000 computation Reference Data From Materials Project: {formula:K4Hf3Mn(PO4)6,spaceGroup:P2_1,id:mp-743880}
RD_018850559884_000 computation Reference Data From Materials Project: {formula:YbHg3,spaceGroup:P6_3/mmc,id:mp-865171}
RD_018885821247_000 computation Reference Data From Materials Project: {formula:Ce3Mn(Al3Cu)8,spaceGroup:Pm-3m,id:mp-669550}
RD_018891341037_000 computation Reference Data From Materials Project: {formula:VOF,spaceGroup:P2_1/c,id:mp-776786}
RD_018894154869_000 computation Reference Data From Materials Project: {formula:K2SbF5,spaceGroup:P2_1/c,id:mp-613518}
RD_018901508434_000 computation Reference Data From Materials Project: {formula:PrNiC2,spaceGroup:C2mm,id:mp-9312}
RD_018916492100_000 computation Reference Data From Materials Project: {formula:Fe4O7F,spaceGroup:Pc,id:mp-780590}
RD_018955302746_000 computation Reference Data From Materials Project: {formula:NaFe7(PO4)6,spaceGroup:P-1,id:mp-704387}
RD_018962893709_000 computation Reference Data From Materials Project: {formula:Ca3SiO5,spaceGroup:P6_3mc,id:mp-37657}
RD_018983654960_000 computation Reference Data From Materials Project: {formula:NO2,spaceGroup:Im3,id:mp-557865}
RD_018988576926_000 computation Reference Data From Materials Project: {formula:Na2CoCSO7,spaceGroup:P2_1/m,id:mp-773380}
RD_018992416498_000 computation Reference Data From Materials Project: {formula:MgCoH16(ClO2)4,spaceGroup:P-1,id:mp-743870}
RD_019029708390_000 computation Reference Data From Materials Project: {formula:CaCO3,spaceGroup:P2_1/c,id:mp-556235}
RD_019066910622_000 computation Reference Data From Materials Project: {formula:MoN,spaceGroup:Fm-3m,id:mp-16730}
RD_019114136720_000 computation Reference Data From Materials Project: {formula:Li2Co2OF6,spaceGroup:P-1,id:mp-780642}
RD_019120155053_000 computation Reference Data From Materials Project: {formula:GdMgPd,spaceGroup:P-62m,id:mp-20332}
RD_019142017127_000 computation Reference Data From Materials Project: {formula:Na3Li2Fe5(SiO3)10,spaceGroup:P1,id:mp-775329}
RD_019154082250_000 computation Reference Data From Materials Project: {formula:Li2Fe3S4,spaceGroup:C2/c,id:mp-755933}
RD_019159302390_000 computation Reference Data From Materials Project: {formula:Fe3Sn,spaceGroup:P6_3/mmc,id:mp-20883}
RD_019167733799_000 computation Reference Data From Materials Project: {formula:LiMn3O5F,spaceGroup:P1,id:mp-765121}
RD_019179223424_000 computation Reference Data From Materials Project: {formula:Yb2MoO6,spaceGroup:C2/c,id:mp-566968}
RD_019192123919_000 computation Reference Data From Materials Project: {formula:Cs2TlFeF6,spaceGroup:Fm-3m,id:mp-628819}
RD_019220659463_000 computation Reference Data From Materials Project: {formula:H3BrO,spaceGroup:Cm,id:mp-625521}
RD_019228417967_000 computation Reference Data From Materials Project: {formula:Sn2Pt,spaceGroup:Fm-3m,id:mp-19962}
RD_019243657467_000 computation Reference Data From Materials Project: {formula:YbLaO3,spaceGroup:Pbn2_1,id:mp-22530}
RD_019257791194_000 computation Reference Data From Materials Project: {formula:LiFeOF,spaceGroup:P4/mmm,id:mp-775022}
RD_019283111850_000 computation Reference Data From Materials Project: {formula:Cr3Sb3(TeO8)2,spaceGroup:Cm,id:mp-775347}
RD_019285077299_000 computation Reference Data From Materials Project: {formula:Yb3CsSe4,spaceGroup:P6_3/mmc,id:mp-568594}
RD_019285699153_000 computation Reference Data From Materials Project: {formula:C(ClF)2,spaceGroup:F2dd,id:mp-22966}
RD_019296035927_000 computation Reference Data From Materials Project: {formula:Ga2PbSe4,spaceGroup:Fddd,id:mp-571171}
RD_019306950301_000 computation Reference Data From Materials Project: {formula:Ga3NO3,spaceGroup:R-3m,id:mp-754781}
RD_019320817574_000 computation Reference Data From Materials Project: {formula:Ho2B4O9,spaceGroup:P-1,id:mp-768301}
RD_019351535438_000 computation Reference Data From Materials Project: {formula:TiAlO3,spaceGroup:R-3,id:mp-774520}
RD_019352298605_000 computation Reference Data From Materials Project: {formula:YIr2,spaceGroup:Fd-3m,id:mp-2762}
RD_019353343366_000 computation Reference Data From Materials Project: {formula:GaSi(MoS2)4,spaceGroup:F-43m,id:mp-16338}
RD_019396494186_000 computation Reference Data From Materials Project: {formula:Na3AlS3,spaceGroup:P2_1/c,id:mp-560538}
RD_019402335699_000 computation Reference Data From Materials Project: {formula:Ca2P2O7,spaceGroup:P2_1/c,id:mp-17922}
RD_019409978635_000 computation Reference Data From Materials Project: {formula:SrZn5,spaceGroup:P6/mmm,id:mp-638}
RD_019423036243_000 computation Reference Data From Materials Project: {formula:Ba2NbCrO6,spaceGroup:P6_3/mmc,id:mp-619488}
RD_019430143280_000 computation Reference Data From Materials Project: {formula:As(IF3)2,spaceGroup:C2/m,id:mp-558244}
RD_019450030914_000 computation Reference Data From Materials Project: {formula:Si2P2Pt,spaceGroup:P2_1,id:mp-505309}
RD_019465662034_000 computation Reference Data From Materials Project: {formula:MnBO3,spaceGroup:R-3c,id:mp-761288}
RD_019491664170_000 computation Reference Data From Materials Project: {formula:TmCdPt2,spaceGroup:Fm-3m,id:mp-865202}
RD_019506708754_000 computation Reference Data From Materials Project: {formula:YCoC2,spaceGroup:C2mm,id:mp-4248}
RD_019558287341_000 computation Reference Data From Materials Project: {formula:Li3CuO2,spaceGroup:P2_1/c,id:mp-756495}
RD_019559485611_000 computation Reference Data From Materials Project: {formula:TiCu2Te3,spaceGroup:C2/m,id:mp-541754}
RD_019589322397_000 computation Reference Data From Materials Project: {formula:Li3Ti(FeO2)4,spaceGroup:C2/m,id:mp-771201}
RD_019592293377_000 computation Reference Data From Materials Project: {formula:Na3PH12CO11,spaceGroup:P2_1/c,id:mp-774757}
RD_019602238213_000 computation Reference Data From Materials Project: {formula:Te3Au2,spaceGroup:P1,id:mp-645449}
RD_019606579698_000 computation Reference Data From Materials Project: {formula:Lu(BRh)4,spaceGroup:Ccce,id:mp-28001}
RD_019617543999_000 computation Reference Data From Materials Project: {formula:CeZnGe,spaceGroup:P6_3/mmc,id:mp-19927}
RD_019620717435_000 computation Reference Data From Materials Project: {formula:TbTiGe,spaceGroup:I4/mmm,id:mp-10078}
RD_019640399780_000 computation Reference Data From Materials Project: {formula:K3CaP2HO8,spaceGroup:C2/m,id:mp-696878}
RD_019651662742_000 computation Reference Data From Materials Project: {formula:NaS,spaceGroup:P6_3/mmc,id:mp-2400}
RD_019652347076_000 computation Reference Data From Materials Project: {formula:ZnSO4,spaceGroup:F-43m,id:mp-545756}
RD_019686542926_000 computation Static VASP pseudpotential GGA-PBE DFT calculation of the potential energy and atomic forces acting on a random cluster of 4 silicon atoms (this should correspond to the unrelaxed configuration used in KIM Tests ClusterEnergyAndForces_4atom_Si__TE_018864440740_000 and ClusterEnergyAndForces_4atom_Si__TE_018864440740_001). A plane-wave basis with an energy cutoff of 250 eV was used. A 1 x 1 x 1 gamma-centered Monkhorst-Pack k-point mesh was used (generating a total of 1 irredundant k-point).
RD_019718736616_000 computation Reference Data From Materials Project: {formula:Li3Mn5OF11,spaceGroup:P1,id:mp-767196}
RD_019721622452_000 computation Reference Data From Materials Project: {formula:UO,spaceGroup:Fm-3m,id:mp-7830}
RD_019730974631_000 computation Reference Data From Materials Project: {formula:Nd(NiSn)2,spaceGroup:I4/mmm,id:mp-569860}
RD_019747071330_000 computation Reference Data From Materials Project: {formula:Yb(Al5Fe)2,spaceGroup:Ccmm,id:mp-12789}
RD_019753464304_000 computation Reference Data From Materials Project: {formula:NaHg2IO2,spaceGroup:P6_222,id:mp-23110}
RD_019772771837_000 computation Reference Data From Materials Project: {formula:Li2VF6,spaceGroup:P2_1/c,id:mp-868266}
RD_019774079668_000 computation Reference Data From Materials Project: {formula:Ba14MnBi11,spaceGroup:I4_1/acd,id:mp-567518}
RD_019778163610_000 computation Reference Data From Materials Project: {formula:Ti(SiO3)2,spaceGroup:C2/c,id:mp-25301}
RD_019804094154_000 computation Reference Data From Materials Project: {formula:LaIr5,spaceGroup:P6/mmm,id:mp-1384}
RD_019820499830_000 computation Reference Data From Materials Project: {formula:Y(HO)3,spaceGroup:P6_3/m,id:mp-24076}
RD_019828981054_000 computation Reference Data From Materials Project: {formula:Li8MnO5F,spaceGroup:P1,id:mp-767026}
RD_019829912150_000 computation Reference Data From Materials Project: {formula:Cr4Si2Cl2O7,spaceGroup:Pc,id:mp-567043}
RD_019834440904_000 computation Reference Data From Materials Project: {formula:Al5Co2,spaceGroup:P6_3/mmc,id:mp-196}
RD_019837298204_000 computation Reference Data From Materials Project: {formula:Na2Li5Sn4,spaceGroup:R-3m,id:mp-570946}
RD_019838748566_000 computation Reference Data From Materials Project: {formula:NbNO,spaceGroup:C2/m,id:mp-754752}
RD_019841223726_000 computation Reference Data From Materials Project: {formula:CaH2,spaceGroup:Pmnb,id:mp-23713}
RD_019845686084_000 computation Reference Data From Materials Project: {formula:Li4Mn5CuO12,spaceGroup:C2,id:mp-769821}
RD_019850107379_000 computation Reference Data From Materials Project: {formula:YSiAu,spaceGroup:P6_3mc,id:mp-9025}
RD_019851430804_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_019863298729_000 computation Reference Data From Materials Project: {formula:ThSn3,spaceGroup:Pm-3m,id:mp-435}
RD_019874084785_000 computation Reference Data From Materials Project: {formula:AgIO3,spaceGroup:P2_1ca,id:mp-27384}
RD_019899877374_000 computation Reference Data From Materials Project: {formula:Mn(HO)2,spaceGroup:P-3m1,id:mp-25546}
RD_019915381191_000 computation Reference Data From Materials Project: {formula:ErBi2BrO4,spaceGroup:P4/mmm,id:mp-546621}
RD_019940083172_000 computation Reference Data From Materials Project: {formula:LiMo2P3O13,spaceGroup:C2/c,id:mp-705380}
RD_019956252577_000 computation Reference Data From Materials Project: {formula:Na3GaP2H2O9,spaceGroup:C2/m,id:mp-733844}
RD_019994964142_000 computation Reference Data From Materials Project: {formula:F2,spaceGroup:C2/m,id:mp-561367}
RD_020054834510_000 computation Reference Data From Materials Project: {formula:Th2SN2,spaceGroup:P-3m1,id:mp-7769}
RD_020066570845_000 computation Reference Data From Materials Project: {formula:H12C3NF3,spaceGroup:Pcmn,id:mp-554928}
RD_020067741014_000 computation Reference Data From Materials Project: {formula:Co3C10O9,spaceGroup:P3_121,id:mp-647768}
RD_020068884846_000 computation Reference Data From Materials Project: {formula:Fe2SiO4,spaceGroup:Pcmn,id:mp-510587}
RD_020075519924_000 computation Reference Data From Materials Project: {formula:HgO,spaceGroup:Fm-3m,id:mp-545619}
RD_020078954740_000 computation Reference Data From Materials Project: {formula:MgIn2O4,spaceGroup:Fd-3m,id:mp-7831}
RD_020116112384_000 computation Reference Data From Materials Project: {formula:Sr(CdP)2,spaceGroup:P-3m1,id:mp-8277}
RD_020117676553_000 computation Reference Data From Materials Project: {formula:Na6Sn2O7,spaceGroup:C2/c,id:mp-778451}
RD_020126423079_000 computation Reference Data From Materials Project: {formula:Na5LaO4,spaceGroup:Pbca,id:mp-780258}
RD_020142903680_000 computation Reference Data From Materials Project: {formula:LaFeO3,spaceGroup:Pm-3m,id:mp-556561}
RD_020159955560_000 computation Reference Data From Materials Project: {formula:Ce2Y2O7,spaceGroup:P1,id:mp-36699}
RD_020164347730_000 computation Reference Data From Materials Project: {formula:Mn5Sn(PO4)6,spaceGroup:R3,id:mp-774344}
RD_020201568944_000 computation Reference Data From Materials Project: {formula:V2P2O7,spaceGroup:P2_1/c,id:mp-768024}
RD_020201742736_000 computation Reference Data From Materials Project: {formula:Li2NiO2,spaceGroup:R-3m,id:mp-778781}
RD_020205683150_000 computation Reference Data From Materials Project: {formula:Li3MnCr4O8,spaceGroup:C2/m,id:mp-769831}
RD_020226163414_000 computation Reference Data From Materials Project: {formula:BaCuO2,spaceGroup:Pbam,id:mp-754008}
RD_020247804040_000 computation Reference Data From Materials Project: {formula:Ti3Sn7O20,spaceGroup:Cmmm,id:mp-765970}
RD_020249469837_000 computation Reference Data From Materials Project: {formula:Ga3Bi5Cl12,spaceGroup:R3c,id:mp-569854}
RD_020268868050_000 computation Reference Data From Materials Project: {formula:BaS2,spaceGroup:C2/c,id:mp-684}
RD_020273614152_000 computation Reference Data From Materials Project: {formula:MoCl5,spaceGroup:Pbnm,id:mp-569855}
RD_020283335638_000 computation Reference Data From Materials Project: {formula:BaHBr,spaceGroup:P4/nmm,id:mp-24424}
RD_020302499204_000 computation Reference Data From Materials Project: {formula:Na2Si4CuO10,spaceGroup:P-1,id:mp-18033}
RD_020314011062_000 computation Reference Data From Materials Project: {formula:La9Ni5O19,spaceGroup:Fm2m,id:mp-761803}
RD_020317018101_000 computation Reference Data From Materials Project: {formula:CsHgBr3,spaceGroup:Pm-3m,id:mp-27718}
RD_020329135724_000 computation Reference Data From Materials Project: {formula:Sr2CuTeO6,spaceGroup:I4/m,id:mp-6252}
RD_020333547887_000 computation Reference Data From Materials Project: {formula:Nd3Cu3Sb4,spaceGroup:I-43d,id:mp-3435}
RD_020348371462_000 computation Reference Data From Materials Project: {formula:SrAg,spaceGroup:Pmcn,id:mp-30355}
RD_020352087533_000 computation Reference Data From Materials Project: {formula:TaFe2,spaceGroup:P6_3/mmc,id:mp-568077}
RD_020359479606_000 computation Reference Data From Materials Project: {formula:LiCu5P3O13,spaceGroup:P-1,id:mp-26795}
RD_020360360425_000 computation Reference Data From Materials Project: {formula:BaNdFe2O5,spaceGroup:P4/mmm,id:mp-638374}
RD_020364143216_000 computation Reference Data From Materials Project: {formula:Cs2CaAl4(SiO4)4,spaceGroup:P1,id:mp-677292}
RD_020366107050_000 computation Reference Data From Materials Project: {formula:Mn12O7F17,spaceGroup:P1,id:mp-764197}
RD_020368563498_000 computation Reference Data From Materials Project: {formula:TbB2,spaceGroup:P6/mmm,id:mp-965}
RD_020378411040_000 computation Reference Data From Materials Project: {formula:Cr3InO8,spaceGroup:C2/m,id:mp-569317}
RD_020379478175_000 computation Reference Data From Materials Project: {formula:Na2Ca(PO3)4,spaceGroup:P4/nbm,id:mp-541522}
RD_020387048709_000 computation Reference Data From Materials Project: {formula:NaMnO2,spaceGroup:I4_1/amd,id:mp-775114}
RD_020405762737_000 computation Reference Data From Materials Project: {formula:LiMnCSO7,spaceGroup:P2_1,id:mp-780035}
RD_020428624479_000 computation Static VASP pseudpotential GGA-PBE DFT calculation of the potential energy and atomic forces acting on a randomly perturbed 2-atom bcc unit cell of silicon atoms (this should correspond to the unrelaxed configuration used in KIM Tests TriclinicPBCEnergyAndForces_bcc_2atom_Si__TE_251106551499_000 and TriclinicPBCEnergyAndForces_bcc_2atom_Si__TE_251106551499_001). A plane-wave basis with an energy cutoff of 250 eV was used. A 11 x 11 x 11 gamma-centered Monkhorst-Pack k-point mesh was used (generating a total of 666 irredundant k-points).
RD_020438701617_000 computation Reference Data From Materials Project: {formula:Ca3HfSi2O9,spaceGroup:P2_1/c,id:mp-15003}
RD_020451789805_000 computation Reference Data From Materials Project: {formula:La5Ti4O15,spaceGroup:P-3c1,id:mp-28801}
RD_020496280340_000 computation Reference Data From Materials Project: {formula:EuSm2BeO5,spaceGroup:P2_1/c,id:mp-560512}
RD_020498831638_000 computation Reference Data From Materials Project: {formula:KUVO6,spaceGroup:P2_1/c,id:mp-645555}
RD_020499833022_000 computation Reference Data From Materials Project: {formula:La2ZnGa2S6O,spaceGroup:P-42_1m,id:mp-18129}
RD_020502470518_000 computation Reference Data From Materials Project: {formula:W18O49,spaceGroup:P2/m,id:mp-19529}
RD_020503626157_000 computation Reference Data From Materials Project: {formula:V6O5F19,spaceGroup:P1,id:mp-765700}
RD_020521760989_000 computation Reference Data From Materials Project: {formula:LiNiPO4,spaceGroup:P2_1/c,id:mp-766639}
RD_020531358813_000 computation Reference Data From Materials Project: {formula:CaMg3(CO3)4,spaceGroup:R32,id:mp-6524}
RD_020538897142_000 computation Reference Data From Materials Project: {formula:Li3MnV(PO4)3,spaceGroup:C2,id:mp-780477}
RD_020545294021_000 computation Reference Data From Materials Project: {formula:Li6V5O12,spaceGroup:P1,id:mp-764771}
RD_020551351594_000 computation Reference Data From Materials Project: {formula:Ce(WO4)2,spaceGroup:C2/c,id:mp-779925}
RD_020552597297_000 computation Reference Data From Materials Project: {formula:In2S3,spaceGroup:Cc,id:mp-673633}
RD_020576593438_000 computation Reference Data From Materials Project: {formula:Li4Mn3Cr2Fe3O16,spaceGroup:Cm,id:mp-849471}
RD_020617022440_000 computation Reference Data From Materials Project: {formula:Ag4Te(ClO3)2,spaceGroup:P2_13,id:mp-738646}
RD_020622037120_000 computation Reference Data From Materials Project: {formula:Sr3Nd4O9,spaceGroup:P1,id:mp-675048}
RD_020640990042_000 computation Reference Data From Materials Project: {formula:Li2PrIn,spaceGroup:Fm-3m,id:mp-866196}
RD_020655890771_000 computation Reference Data From Materials Project: {formula:Na,spaceGroup:Im-3m,id:mp-127}
RD_020656367064_000 computation Reference Data From Materials Project: {formula:Sr2CdWO6,spaceGroup:P2_1/c,id:mp-19014}
RD_020670542090_000 computation Reference Data From Materials Project: {formula:Sc2(WO4)3,spaceGroup:Pbna,id:mp-19588}
RD_020675117111_000 computation Reference Data From Materials Project: {formula:Cs2U2O7,spaceGroup:C2/m,id:mp-548479}
RD_020676047864_000 computation Reference Data From Materials Project: {formula:Ba(H2O3)2,spaceGroup:C2,id:mp-625894}
RD_020692214922_000 computation Reference Data From Materials Project: {formula:Li4CrP2O9,spaceGroup:Pbca,id:mp-850499}
RD_020705272830_000 computation Reference Data From Materials Project: {formula:Sr5As3ClO12,spaceGroup:P6_3/m,id:mp-559965}
RD_020721413020_000 computation Reference Data From Materials Project: {formula:Sn3Pt2,spaceGroup:P6_3/mmc,id:mp-30846}
RD_020726247271_000 computation Reference Data From Materials Project: {formula:Cs3Fe2Cl9,spaceGroup:P6_3/mmc,id:mp-29575}
RD_020752852607_000 computation Reference Data From Materials Project: {formula:CeCo2,spaceGroup:Fd-3m,id:mp-1112}
RD_020755733078_000 computation Reference Data From Materials Project: {formula:Ca2Co12P7,spaceGroup:P-6,id:mp-10923}
RD_020768009140_000 computation Reference Data From Materials Project: {formula:PrNiSnH2,spaceGroup:P6_3/mmc,id:mp-510581}
RD_020791660278_000 computation Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567259}
RD_020792984278_000 computation Reference Data From Materials Project: {formula:Sc10Mn17S32,spaceGroup:P1,id:mp-685820}
RD_020801198410_000 computation Reference Data From Materials Project: {formula:LiFeP2O7,spaceGroup:Pc,id:mp-31827}
RD_020802143969_000 computation Reference Data From Materials Project: {formula:CoH17S2N5ClO4,spaceGroup:Pnma,id:mp-745061}
RD_020803349035_000 computation Reference Data From Materials Project: {formula:Nd2Ge5Rh3,spaceGroup:Imcb,id:mp-18678}
RD_020803477765_000 computation Reference Data From Materials Project: {formula:HfAlRu2,spaceGroup:Fm-3m,id:mp-864909}
RD_020805876696_000 computation Reference Data From Materials Project: {formula:Li4ZrGe2,spaceGroup:R-3m,id:mp-31082}
RD_020817114987_000 computation Reference Data From Materials Project: {formula:RbSmSe2,spaceGroup:R-3m,id:mp-10780}
RD_020830332548_000 computation Reference Data From Materials Project: {formula:ErAs,spaceGroup:Fm-3m,id:mp-1688}
RD_020846499224_000 computation Reference Data From Materials Project: {formula:NbCoSb,spaceGroup:F-43m,id:mp-31460}
RD_020848512152_000 computation Reference Data From Materials Project: {formula:Li3Bi(BO3)2,spaceGroup:P-1,id:mp-777851}
RD_020853019043_000 computation Reference Data From Materials Project: {formula:NpMn2,spaceGroup:Fd-3m,id:mp-1859}
RD_020864189385_000 computation Reference Data From Materials Project: {formula:Ce5O9,spaceGroup:I-4,id:mp-760323}
RD_020885036790_000 computation Reference Data From Materials Project: {formula:Li5NbO5,spaceGroup:C2/c,id:mp-770799}
RD_020886616780_000 computation Reference Data From Materials Project: {formula:TbHg3,spaceGroup:P6_3/mmc,id:mp-867288}
RD_020892963488_000 computation Reference Data From Materials Project: {formula:ThNiSn,spaceGroup:F-43m,id:mp-672375}
RD_020898201171_000 computation Reference Data From Materials Project: {formula:NaLiCO3,spaceGroup:P-6,id:mp-557375}
RD_020915596753_000 computation Reference Data From Materials Project: {formula:Li4WO5,spaceGroup:I4,id:mp-690542}
RD_020966030781_000 computation Reference Data From Materials Project: {formula:CuO2,spaceGroup:Fmmm,id:mp-614565}
RD_020982633176_000 computation Reference Data From Materials Project: {formula:LiMn8F33,spaceGroup:P31c,id:mp-765136}
RD_020988690001_000 computation Reference Data From Materials Project: {formula:Mn12O7F17,spaceGroup:P1,id:mp-764038}
RD_020990416439_000 computation Reference Data From Materials Project: {formula:Li3Ni(BO3)2,spaceGroup:P-1,id:mp-770876}
RD_021028375998_000 computation Reference Data From Materials Project: {formula:InCu6ClO8,spaceGroup:Fm-3m,id:mp-616501}
RD_021047055232_000 computation Reference Data From Materials Project: {formula:DyNiSn,spaceGroup:Pmnb,id:mp-510152}
RD_021064388477_000 computation Reference Data From Materials Project: {formula:Zr3In,spaceGroup:Pm-3m,id:mp-20695}
RD_021069318036_000 computation Reference Data From Materials Project: {formula:ErF3,spaceGroup:Pbnm,id:mp-9371}
RD_021070315625_000 computation Reference Data From Materials Project: {formula:RuC4(O2F3)2,spaceGroup:P-1,id:mp-542700}
RD_021081578468_000 computation Reference Data From Materials Project: {formula:LiFePO4,spaceGroup:P6_5,id:mp-761581}
RD_021085144379_000 computation Reference Data From Materials Project: {formula:Li2WO4,spaceGroup:C2/c,id:mp-19260}
RD_021089133465_000 computation Reference Data From Materials Project: {formula:FeH6(CO3)2,spaceGroup:P2_1/c,id:mp-542787}
RD_021115602152_000 computation Reference Data From Materials Project: {formula:Li5V2Co3O10,spaceGroup:P-1,id:mp-771433}
RD_021131333096_000 computation Reference Data From Materials Project: {formula:P4H3(WO8)2,spaceGroup:P1,id:mp-771727}
RD_021132076576_000 computation Reference Data From Materials Project: {formula:Sr3WO6,spaceGroup:R-3,id:mp-769810}
RD_021136371209_000 computation Reference Data From Materials Project: {formula:Li4VCr(WO6)2,spaceGroup:P1,id:mp-761696}
RD_021167889712_000 computation Static VASP pseudpotential GGA-PBE DFT calculation of the potential energy and atomic forces acting on a randomly perturbed 8-atom cubic diamond unit cell of silicon atoms (this should correspond to the unrelaxed configuration used in KIM Tests TriclinicPBCEnergyAndForces_diamond_8atom_Si__TE_606167975629_000 and TriclinicPBCEnergyAndForces_diamond_8atom_Si__TE_606167975629_001). A plane-wave basis with an energy cutoff of 250 eV was used. A 11 x 11 x 11 gamma-centered Monkhorst-Pack k-point mesh was used (generating a total of 666 irredundant k-points).
RD_021209499425_000 computation Reference Data From Materials Project: {formula:Hf3(SiCu2)2,spaceGroup:P-62m,id:mp-15987}
RD_021285787924_000 computation Reference Data From Materials Project: {formula:DyCuSe2,spaceGroup:P3m1,id:mp-675349}
RD_021289845207_000 computation Reference Data From Materials Project: {formula:Li3Cr4(PO4)6,spaceGroup:P1,id:mp-768047}
RD_021301718417_000 computation Reference Data From Materials Project: {formula:Li2Ni3WO8,spaceGroup:P6_3mc,id:mp-772370}
RD_021307214649_000 computation Reference Data From Materials Project: {formula:Er(MnSi)2,spaceGroup:I4/mmm,id:mp-4729}
RD_021308449723_000 computation Reference Data From Materials Project: {formula:KBi2,spaceGroup:Fd-3m,id:mp-23279}
RD_021311298500_000 computation Reference Data From Materials Project: {formula:Ti3Cu2Sn(PO4)6,spaceGroup:R3,id:mp-776125}
RD_021312981846_000 computation Reference Data From Materials Project: {formula:YbSn,spaceGroup:P4/mmm,id:mp-2806}
RD_021339990262_000 computation Reference Data From Materials Project: {formula:LiAlSiO4,spaceGroup:P6_222,id:mp-558713}
RD_021345881205_000 computation Reference Data From Materials Project: {formula:FeH12(NF2)3,spaceGroup:P2_12_12_1,id:mp-744042}
RD_021347505931_000 computation Reference Data From Materials Project: {formula:ReRuOs,spaceGroup:F-43m,id:mp-631354}
RD_021361365962_000 computation Reference Data From Materials Project: {formula:LiBePd2,spaceGroup:Fm-3m,id:mp-862312}
RD_021410395193_000 computation Reference Data From Materials Project: {formula:Sr3Y2(BO3)4,spaceGroup:Pna2_1,id:mp-561157}
RD_021432867203_000 computation Reference Data From Materials Project: {formula:Zn(C2N3)2,spaceGroup:Pmnb,id:mp-624249}
RD_021435206961_000 computation Reference Data From Materials Project: {formula:Na4V2C4SO16,spaceGroup:Fddd,id:mp-850995}
RD_021464235651_000 computation Reference Data From Materials Project: {formula:TbCoSn,spaceGroup:Pmnb,id:mp-646450}
RD_021469946886_000 computation Reference Data From Materials Project: {formula:Sc2GaRu,spaceGroup:Fm-3m,id:mp-862311}
RD_021482952537_000 computation Reference Data From Materials Project: {formula:HgP14Pb,spaceGroup:Pmcn,id:mp-22574}
RD_021508524145_000 computation Reference Data From Materials Project: {formula:Na6FeSe4,spaceGroup:P6_3mc,id:mp-15071}
RD_021512023559_000 computation Reference Data From Materials Project: {formula:Li2CdSn,spaceGroup:Fm-3m,id:mp-12580}
RD_021526045718_000 computation Reference Data From Materials Project: {formula:Ho,spaceGroup:P6_3/mmc,id:mp-144}
RD_021536088056_000 computation Reference Data From Materials Project: {formula:HoCuSb2,spaceGroup:P4/nmm,id:mp-21015}
RD_021541107020_000 computation Reference Data From Materials Project: {formula:Li2TiV2O6,spaceGroup:C2/m,id:mp-763708}
RD_021554357094_000 computation Reference Data From Materials Project: {formula:Na3NiBAsO7,spaceGroup:P2_1/m,id:mp-771589}
RD_021560612053_000 computation Reference Data From Materials Project: {formula:LiMn(PO3)4,spaceGroup:Cc,id:mp-31950}
RD_021571584105_000 computation Reference Data From Materials Project: {formula:Ti3FeCu2(PO4)6,spaceGroup:R3,id:mp-776012}
RD_021573754787_000 computation Reference Data From Materials Project: {formula:Li2V2F7,spaceGroup:Pna2_1,id:mp-849541}
RD_021577803647_000 computation Reference Data From Materials Project: {formula:CeTl3,spaceGroup:Pm-3m,id:mp-20603}
RD_021583699056_000 computation Reference Data From Materials Project: {formula:Tc3Pd,spaceGroup:P6_3/mmc,id:mp-861610}
RD_021594133453_000 computation Reference Data From Materials Project: {formula:Ga6SnTe10,spaceGroup:P3_121,id:mp-531948}
RD_021617697766_000 computation Reference Data From Materials Project: {formula:ZrBi,spaceGroup:Cmcm,id:mp-30933}
RD_021618341975_000 computation Reference Data From Materials Project: {formula:Ce3CCl5,spaceGroup:C2/c,id:mp-580802}
RD_021621096164_000 computation Reference Data From Materials Project: {formula:Ba6Ca11I34,spaceGroup:P-1,id:mp-766336}
RD_021626043266_000 computation Reference Data From Materials Project: {formula:DyTmMg2,spaceGroup:Fm-3m,id:mp-866013}
RD_021642785178_000 computation Reference Data From Materials Project: {formula:CsBi3Se5,spaceGroup:Pmcn,id:mp-567928}
RD_021669020159_000 computation Reference Data From Materials Project: {formula:BaNa3PCO7,spaceGroup:P2_1/m,id:mp-767530}
RD_021672361325_000 computation Reference Data From Materials Project: {formula:Lu5NiPb3,spaceGroup:P6_3/mcm,id:mp-568942}
RD_021733464834_000 computation Reference Data From Materials Project: {formula:PrP3(HO2)6,spaceGroup:P-6,id:mp-556063}
RD_021760218971_000 computation Reference Data From Materials Project: {formula:UC2,spaceGroup:I4/mmm,id:mp-2486}
RD_021762337947_000 computation Reference Data From Materials Project: {formula:AcOF,spaceGroup:F-43m,id:mp-36526}
RD_021774315700_000 computation Reference Data From Materials Project: {formula:CsNaGe2,spaceGroup:P2_1/c,id:mp-29566}
RD_021779322430_000 computation Reference Data From Materials Project: {formula:Na8Al6Si6O25,spaceGroup:R3,id:mp-684833}
RD_021780132577_000 computation Reference Data From Materials Project: {formula:CdH8(NO5)2,spaceGroup:Cc,id:mp-703542}
RD_021784203335_000 computation Reference Data From Materials Project: {formula:Ta5Pb11O26,spaceGroup:C2/m,id:mp-761132}
RD_021785894093_000 computation Reference Data From Materials Project: {formula:V3H4NO8,spaceGroup:P2_1/m,id:mp-768097}
RD_021799361943_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_021803352197_000 computation Reference Data From Materials Project: {formula:Na3VP8O23,spaceGroup:P4_132,id:mp-25116}
RD_021807144512_000 computation Reference Data From Materials Project: {formula:Sb3O4F,spaceGroup:Cc,id:mp-753515}
RD_021807402917_000 computation Reference Data From Materials Project: {formula:Lu2AlSi2,spaceGroup:Immm,id:mp-10531}
RD_021810860270_000 computation Reference Data From Materials Project: {formula:LiNiPO4,spaceGroup:P31c,id:mp-762008}
RD_021832759878_000 computation Reference Data From Materials Project: {formula:Tl6PbI10,spaceGroup:P31c,id:mp-674339}
RD_021837141819_000 computation Reference Data From Materials Project: {formula:WO3,spaceGroup:Pm-3m,id:mp-715469}
RD_021837344036_000 computation Reference Data From Materials Project: {formula:RbTiP2O7,spaceGroup:P2_1/c,id:mp-17495}
RD_021838646234_000 computation Reference Data From Materials Project: {formula:U2Bi2O7,spaceGroup:Pmmb,id:mp-676230}
RD_021840121537_000 computation Reference Data From Materials Project: {formula:Cs7O,spaceGroup:P-6m2,id:mp-561735}
RD_021867119611_000 computation Reference Data From Materials Project: {formula:Lu(ClO4)3,spaceGroup:R3c,id:mp-29789}
RD_021867374598_000 computation Reference Data From Materials Project: {formula:Hf5(In2Rh)2,spaceGroup:Pmcb,id:mp-510052}
RD_021867777934_000 computation Reference Data From Materials Project: {formula:Ce3Co11B4,spaceGroup:P6/mmm,id:mp-13765}
RD_021877882296_000 computation Reference Data From Materials Project: {formula:YSeO3,spaceGroup:P2_1/c,id:mp-769404}
RD_021881216814_000 computation Reference Data From Materials Project: {formula:Nd(SiOs)2,spaceGroup:I4/mmm,id:mp-571586}
RD_021885723637_000 computation Reference Data From Materials Project: {formula:SbRu2C6Cl7O6,spaceGroup:P2_1/c,id:mp-662588}
RD_021938768469_000 computation Reference Data From Materials Project: {formula:Fe3Co3(SbO8)2,spaceGroup:Cm,id:mp-761701}
RD_021960539126_000 computation Reference Data From Materials Project: {formula:Li2CoCO4,spaceGroup:P2_1/c,id:mp-763280}
RD_021970257191_000 computation Reference Data From Materials Project: {formula:BiClF8,spaceGroup:P-1,id:mp-28194}
RD_021990358458_000 computation Reference Data From Materials Project: {formula:CsAu3Se2,spaceGroup:P-3m1,id:mp-9386}
RD_021996025237_000 computation Reference Data From Materials Project: {formula:LaCu(WO4)2,spaceGroup:P-1,id:mp-505061}
RD_022005367891_000 computation Reference Data From Materials Project: {formula:KRuH18N6(ClO2)4,spaceGroup:R-3m,id:mp-24132}
RD_022016592104_000 computation Reference Data From Materials Project: {formula:Ba2TmReO6,spaceGroup:Fm-3m,id:mp-13934}
RD_022017512367_000 computation Reference Data From Materials Project: {formula:Li2Si5Ni2O13,spaceGroup:P-1,id:mp-868443}
RD_022021015966_000 computation Reference Data From Materials Project: {formula:RbHF2,spaceGroup:Ima2,id:mp-677103}
RD_022048352751_000 computation Reference Data From Materials Project: {formula:DyFe5,spaceGroup:P6/mmm,id:mp-568006}
RD_022061272012_000 computation Reference Data From Materials Project: {formula:NdSb2Pd,spaceGroup:P4/nmm,id:mp-21122}
RD_022076875298_000 computation Reference Data From Materials Project: {formula:Li4Cr3CoO8,spaceGroup:C2/m,id:mp-769744}
RD_022083517387_000 computation Reference Data From Materials Project: {formula:ZrSe2,spaceGroup:P-3m1,id:mp-2076}
RD_022086358173_000 computation Static VASP pseudpotential GGA-PBE DFT calculation of the potential energy and atomic forces acting on a random cluster of 4 silicon atoms (this should correspond to the unrelaxed configuration used in KIM Tests ClusterEnergyAndForces_4atom_Si__TE_596025108636_000 and ClusterEnergyAndForces_4atom_Si__TE_596025108636_001). A plane-wave basis with an energy cutoff of 250 eV was used. A 1 x 1 x 1 gamma-centered Monkhorst-Pack k-point mesh was used (generating a total of 1 irredundant k-point).
RD_022106825727_000 computation Reference Data From Materials Project: {formula:Nd2NiB10,spaceGroup:Pmcb,id:mp-22471}
RD_022115224981_000 computation Reference Data From Materials Project: {formula:Li2LuPCO7,spaceGroup:P2_1/m,id:mp-755876}
RD_022134924451_000 computation Reference Data From Materials Project: {formula:Fe2Ni3Sb(PO4)6,spaceGroup:R3,id:mp-777420}
RD_022157179187_000 computation Reference Data From Materials Project: {formula:Cr,spaceGroup:Im-3m,id:mp-90}
RD_022161462416_000 computation Reference Data From Materials Project: {formula:YbBaAl2SiN5O2,spaceGroup:Cc,id:mp-684968}
RD_022163968423_000 computation Reference Data From Materials Project: {formula:Fe10O11F9,spaceGroup:P1,id:mp-780434}
RD_022176313877_000 computation Reference Data From Materials Project: {formula:Dy2TeO6,spaceGroup:P321,id:mp-769039}
RD_022192059961_000 computation Reference Data From Materials Project: {formula:Ca7Si6H4CO23,spaceGroup:Cm,id:mp-733443}
RD_022231674266_000 computation Reference Data From Materials Project: {formula:NaH8SNO6,spaceGroup:P2_12_12_1,id:mp-705823}
RD_022246265028_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_022254207799_000 computation Reference Data From Materials Project: {formula:TiAl3,spaceGroup:I4/mmm,id:mp-542915}
RD_022264251047_000 computation Reference Data From Materials Project: {formula:TmH3(CO2)3,spaceGroup:R3m,id:mp-642999}
RD_022307600803_000 computation Reference Data From Materials Project: {formula:ZrP,spaceGroup:P6_3/mmc,id:mp-11345}
RD_022313047740_000 computation Reference Data From Materials Project: {formula:Ba7Sc6Al2O19,spaceGroup:P6_3/mmc,id:mp-559325}
RD_022322474677_000 computation Reference Data From Materials Project: {formula:Li3V5O14,spaceGroup:P31m,id:mp-770775}
RD_022354083208_000 computation Reference Data From Materials Project: {formula:CdAu3,spaceGroup:Pm-3m,id:mp-1264}
RD_022367298327_000 computation Reference Data From Materials Project: {formula:B2W,spaceGroup:P6_3/mmc,id:mp-569803}
RD_022374817966_000 computation Reference Data From Materials Project: {formula:Sn5P6O25,spaceGroup:R-3,id:mp-769187}
RD_022378290850_000 computation Reference Data From Materials Project: {formula:BaCu2Te2(ClO3)2,spaceGroup:P2_1,id:mp-554401}
RD_022394862138_000 computation Reference Data From Materials Project: {formula:TbFe3(BO3)4,spaceGroup:R32,id:mp-19136}
RD_022395643555_000 computation Reference Data From Materials Project: {formula:TaN,spaceGroup:P6_3/mmc,id:mp-570604}
RD_022413273553_000 computation Reference Data From Materials Project: {formula:TbSbRh,spaceGroup:Pmnb,id:mp-22115}
RD_022420330958_000 computation Reference Data From Materials Project: {formula:Na3Ni2P2(CO7)2,spaceGroup:P-1,id:mp-769492}
RD_022422374076_000 computation Reference Data From Materials Project: {formula:NiMo3S4,spaceGroup:P-1,id:mp-685980}
RD_022466039179_000 computation Reference Data From Materials Project: {formula:H7WC7NO5,spaceGroup:P2_1/c,id:mp-601614}
RD_022477749681_000 computation Reference Data From Materials Project: {formula:SmCdHg2,spaceGroup:Fm-3m,id:mp-867157}
RD_022545411956_000 computation Reference Data From Materials Project: {formula:MnOF,spaceGroup:Pm,id:mp-764997}
RD_022571395822_000 computation Reference Data From Materials Project: {formula:Tl2Cu3(SeO3)6,spaceGroup:P-1,id:mp-558944}
RD_022583460471_000 computation Reference Data From Materials Project: {formula:K17In41,spaceGroup:Fd-3m,id:mp-640781}
RD_022591784569_000 computation Reference Data From Materials Project: {formula:Li2DyTl,spaceGroup:Fm-3m,id:mp-865581}
RD_022597440570_000 computation Reference Data From Materials Project: {formula:LiNbFeO4,spaceGroup:P4_322,id:mp-772339}
RD_022613079833_000 computation Reference Data From Materials Project: {formula:Ho2Zr2O7,spaceGroup:P2_1,id:mp-770289}
RD_022661663994_000 computation Reference Data From Materials Project: {formula:KMnH5(SO5)2,spaceGroup:P1,id:mp-743613}
RD_022667905858_000 computation Reference Data From Materials Project: {formula:PrZn5,spaceGroup:P6/mmm,id:mp-12602}
RD_022718312599_000 computation Reference Data From Materials Project: {formula:ZnS,spaceGroup:P3m1,id:mp-556989}
RD_022723389497_000 computation Reference Data From Materials Project: {formula:Rb2Ca2(SO4)3,spaceGroup:P2_13,id:mp-558752}
RD_022725142130_000 computation Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570939}
RD_022727557995_000 computation Reference Data From Materials Project: {formula:Sr2Ta2O7,spaceGroup:Ccm2_1,id:mp-13664}
RD_022747098722_000 computation Reference Data From Materials Project: {formula:SiRh,spaceGroup:Pm-3m,id:mp-10110}
RD_022776575172_000 computation Reference Data From Materials Project: {formula:Pb4IF7,spaceGroup:Cmcm,id:mp-28087}
RD_022779533184_000 computation Static VASP pseudpotential GGA-PBE DFT calculation of the potential energy and atomic forces acting on a random cluster of 6 silicon atoms (this should correspond to the unrelaxed configuration used in KIM Tests ClusterEnergyAndForces_6atom_Si__TE_252455328708_000 and ClusterEnergyAndForces_6atom_Si__TE_252455328708_001). A plane-wave basis with an energy cutoff of 250 eV was used. A 1 x 1 x 1 gamma-centered Monkhorst-Pack k-point mesh was used (generating a total of 1 irredundant k-point).
RD_022788063493_000 computation Reference Data From Materials Project: {formula:Li4Ti5Ni3O16,spaceGroup:Cm,id:mp-771465}
RD_022806693859_000 computation Reference Data From Materials Project: {formula:S5N4O3,spaceGroup:P2_1/c,id:mp-540558}
RD_022807004307_000 computation Reference Data From Materials Project: {formula:Ga2PdI8,spaceGroup:C2/m,id:mp-30946}
RD_022809178892_000 computation Reference Data From Materials Project: {formula:Ho2Hf2O7,spaceGroup:Fd-3m,id:mp-554082}
RD_022809396269_000 computation Reference Data From Materials Project: {formula:Te10Mo3I10,spaceGroup:P-1,id:mp-505260}
RD_022815120450_000 computation Reference Data From Materials Project: {formula:Li4V3OF11,spaceGroup:P1,id:mp-765238}
RD_022822836575_000 computation Reference Data From Materials Project: {formula:N2O,spaceGroup:Pa3,id:mp-7139}
RD_022830954893_000 computation Reference Data From Materials Project: {formula:BaCaCO3,spaceGroup:P6_3mc,id:mp-696695}
RD_022838477549_000 computation Reference Data From Materials Project: {formula:Ti3Co5B2,spaceGroup:P4/mbm,id:mp-504617}
RD_022884264952_000 computation Reference Data From Materials Project: {formula:LaH12S2NO12,spaceGroup:P2_1/c,id:mp-707989}
RD_022920050616_000 computation Reference Data From Materials Project: {formula:RbAlF4,spaceGroup:I4/mcm,id:mp-13997}
RD_022956315450_000 computation Reference Data From Materials Project: {formula:Sr2ZnN2,spaceGroup:I4/mmm,id:mp-9306}
RD_022977512528_000 computation Reference Data From Materials Project: {formula:PrYMg2,spaceGroup:Fm-3m,id:mp-861479}
RD_022993684739_000 computation Reference Data From Materials Project: {formula:HoBRh3,spaceGroup:Pm-3m,id:mp-3710}
RD_022993808662_000 computation Reference Data From Materials Project: {formula:BiB2O5,spaceGroup:C2/c,id:mp-768314}
RD_022999027404_000 computation Reference Data From Materials Project: {formula:Li7V(O2F)2,spaceGroup:P1,id:mp-868325}
RD_022999991426_000 computation Reference Data From Materials Project: {formula:Li2Nb(PO4)2,spaceGroup:P-3,id:mp-760377}
RD_023000098650_000 computation Reference Data From Materials Project: {formula:BaSi2(BO4)2,spaceGroup:Pnma,id:mp-555387}
RD_023000636980_000 computation Reference Data From Materials Project: {formula:Li2VFe(P2O7)2,spaceGroup:P2_1,id:mp-763861}
RD_023002327602_000 computation Reference Data From Materials Project: {formula:Rb2NaYF6,spaceGroup:Fm-3m,id:mp-13926}
RD_023018865560_000 computation Reference Data From Materials Project: {formula:Cu(PtS2)2,spaceGroup:P2/m,id:mp-28888}
RD_023027032914_000 computation Reference Data From Materials Project: {formula:CsBi2,spaceGroup:Fd-3m,id:mp-23163}
RD_023033575166_000 computation Reference Data From Materials Project: {formula:Cs5Bi(MoO4)4,spaceGroup:C2/c,id:mp-644925}
RD_023037934971_000 computation Reference Data From Materials Project: {formula:Na6PbO4,spaceGroup:I-43m,id:mp-27623}
RD_023039806395_000 computation Reference Data From Materials Project: {formula:VFe2Sn,spaceGroup:Fm-3m,id:mp-636359}
RD_023041890770_000 computation Reference Data From Materials Project: {formula:ErZn,spaceGroup:Pm-3m,id:mp-1660}
RD_023062802272_000 computation Reference Data From Materials Project: {formula:LiPrTl2,spaceGroup:Fm-3m,id:mp-865709}
RD_023070225582_000 computation Reference Data From Materials Project: {formula:LaGaO3,spaceGroup:Pbnm,id:mp-5837}
RD_023071682695_000 computation Reference Data From Materials Project: {formula:CsInI4,spaceGroup:P2_1/c,id:mp-607987}
RD_023102790714_000 computation Reference Data From Materials Project: {formula:KMnO2,spaceGroup:P2_1/m,id:mp-566638}
RD_023137508323_000 computation Reference Data From Materials Project: {formula:BaMgSiO4,spaceGroup:P6_3,id:mp-560186}
RD_023147911471_000 computation Reference Data From Materials Project: {formula:DyAl4Ni,spaceGroup:Ccmm,id:mp-31180}
RD_023161735475_000 computation Reference Data From Materials Project: {formula:Ba3Bi6PbSe13,spaceGroup:P2_1/m,id:mp-669415}
RD_023190949485_000 computation Reference Data From Materials Project: {formula:ReO2F3,spaceGroup:Cmce,id:mp-555704}
RD_023192206990_000 computation Reference Data From Materials Project: {formula:LiMn(PO3)4,spaceGroup:C2/c,id:mp-763660}
RD_023193418151_000 computation Reference Data From Materials Project: {formula:Li3Mn3CoO8,spaceGroup:R-3m,id:mp-765796}
RD_023195921456_000 computation Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-764932}
RD_023200362655_000 computation Reference Data From Materials Project: {formula:Mo(HO2)2,spaceGroup:P-1,id:mp-625551}
RD_023209512441_000 computation Reference Data From Materials Project: {formula:Li5V3CrO8,spaceGroup:Cc,id:mp-764013}
RD_023213453019_000 computation Reference Data From Materials Project: {formula:Li5Mn2P2(CO7)2,spaceGroup:P-1,id:mp-770157}
RD_023234710262_000 computation Reference Data From Materials Project: {formula:Pm2SnAu,spaceGroup:Fm-3m,id:mp-865467}
RD_023237811514_000 computation Reference Data From Materials Project: {formula:LiCoH8(SO6)2,spaceGroup:Pc,id:mp-780159}
RD_023257184730_000 computation Reference Data From Materials Project: {formula:Li4V2(PO4)3,spaceGroup:P-1,id:mp-777185}
RD_023278768015_000 computation Reference Data From Materials Project: {formula:La3(CrN3)2,spaceGroup:I4/mmm,id:mp-569565}
RD_023292553305_000 computation Reference Data From Materials Project: {formula:CoH22S2N5O9,spaceGroup:P2_12_12_1,id:mp-735625}
RD_023302019697_000 computation Reference Data From Materials Project: {formula:Sr(As2Rh3)2,spaceGroup:P-6m2,id:mp-16045}
RD_023307818250_000 computation Reference Data From Materials Project: {formula:NbCl5,spaceGroup:C2/m,id:mp-23307}
RD_023313274122_000 computation Reference Data From Materials Project: {formula:Ba(BSe3)2,spaceGroup:Cmce,id:mp-570823}
RD_023322273750_000 computation Reference Data From Materials Project: {formula:Ca2Si3Ag,spaceGroup:Fmmm,id:mp-29570}
RD_023337244804_000 computation Reference Data From Materials Project: {formula:Li3CrB4O9,spaceGroup:P2_1/m,id:mp-761306}
RD_023392357467_000 computation Reference Data From Materials Project: {formula:Ba2Sb3,spaceGroup:P2_1/c,id:mp-16922}
RD_023397658820_000 computation Reference Data From Materials Project: {formula:SmCrO3,spaceGroup:Pm-3m,id:mp-19257}
RD_023413961573_000 computation Reference Data From Materials Project: {formula:GaN5O14,spaceGroup:I-4,id:mp-557954}
RD_023424879955_000 computation Reference Data From Materials Project: {formula:TiCl3,spaceGroup:P3_112,id:mp-569756}
RD_023428332791_000 computation Reference Data From Materials Project: {formula:Al2CdO4,spaceGroup:Fd-3m,id:mp-36866}
RD_023428366588_000 computation Reference Data From Materials Project: {formula:V3Co3(TeO8)2,spaceGroup:P1,id:mp-775162}
RD_023434060487_000 computation Reference Data From Materials Project: {formula:Na2PH5O6,spaceGroup:Pbca,id:mp-698223}
RD_023435620884_000 computation Reference Data From Materials Project: {formula:Sm3InN,spaceGroup:Pm-3m,id:mp-19716}
RD_023435672407_000 computation Reference Data From Materials Project: {formula:MnSbPd2,spaceGroup:Fm-3m,id:mp-3499}
RD_023448991455_000 computation Reference Data From Materials Project: {formula:LiVF5,spaceGroup:Pnma,id:mp-776139}
RD_023496016505_000 computation Reference Data From Materials Project: {formula:VFe3Cu2(PO4)6,spaceGroup:R3,id:mp-763527}
RD_023504831233_000 computation Reference Data From Materials Project: {formula:Li5Fe3Ni2(PO4)6,spaceGroup:P1,id:mp-776686}
RD_023522754355_000 computation Reference Data From Materials Project: {formula:Dy3Si2Cl5O6,spaceGroup:C2/m,id:mp-560593}
RD_023535399008_000 computation Reference Data From Materials Project: {formula:BeBr2,spaceGroup:Imcb,id:mp-30139}
RD_023541999273_000 computation Reference Data From Materials Project: {formula:LaInPt,spaceGroup:P-62m,id:mp-20451}
RD_023573936104_000 computation Reference Data From Materials Project: {formula:Fe,spaceGroup:P6_3/mmc,id:mp-136}
RD_023578990482_000 computation Reference Data From Materials Project: {formula:UNiSn,spaceGroup:F-43m,id:mp-21425}
RD_023586577585_000 computation Reference Data From Materials Project: {formula:ZrNi2,spaceGroup:Fd-3m,id:mp-2250}
RD_023591025129_000 computation Reference Data From Materials Project: {formula:La3RuO7,spaceGroup:P2_1/c,id:mp-554824}
RD_023614360914_000 computation Reference Data From Materials Project: {formula:Tb3Al,spaceGroup:Pm-3m,id:mp-11226}
RD_023617061962_000 computation Reference Data From Materials Project: {formula:BaCe2ZnS5,spaceGroup:I4/mcm,id:mp-16453}
RD_023630124574_000 computation Reference Data From Materials Project: {formula:KH6C2S2NO4,spaceGroup:P2_1/c,id:mp-24179}
RD_023632720086_000 computation Reference Data From Materials Project: {formula:Gd(SiRh)2,spaceGroup:I4/mmm,id:mp-21240}
RD_023634775020_000 computation Reference Data From Materials Project: {formula:Li4Cr3GaO8,spaceGroup:C2/m,id:mp-769759}
RD_023642017955_000 computation Reference Data From Materials Project: {formula:LiP2WO8,spaceGroup:P2_1/c,id:mp-762199}
RD_023654988946_000 computation Reference Data From Materials Project: {formula:Ni3B7ClO13,spaceGroup:Pbc2_1,id:mp-567012}
RD_023698572644_000 computation Reference Data From Materials Project: {formula:Na3CoPCO7,spaceGroup:P2_1,id:mp-771558}
RD_023700516739_000 computation Reference Data From Materials Project: {formula:HgTe,spaceGroup:Fm-3m,id:mp-1811}
RD_023707427966_000 computation Reference Data From Materials Project: {formula:CaTiO3,spaceGroup:Pm-3m,id:mp-5827}
RD_023739201259_000 computation Reference Data From Materials Project: {formula:CaFeClO2,spaceGroup:C2/m,id:mp-558942}
RD_023755202943_000 computation Reference Data From Materials Project: {formula:Er(SiPd)2,spaceGroup:I4/mmm,id:mp-3218}
RD_023760062996_000 computation Reference Data From Materials Project: {formula:VO,spaceGroup:Fm-3m,id:mp-19184}
RD_023765450004_000 computation Reference Data From Materials Project: {formula:LiNi4P7O24,spaceGroup:P-1,id:mp-705375}
RD_023771503478_000 computation Reference Data From Materials Project: {formula:PH6(NO)2,spaceGroup:P2_1/c,id:mp-706622}
RD_023776425906_000 computation Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-774976}
RD_023779868998_000 computation Reference Data From Materials Project: {formula:Ba2CoSi2O7,spaceGroup:C2/c,id:mp-618688}
RD_023780847411_000 computation Reference Data From Materials Project: {formula:CaSi2,spaceGroup:P-3m1,id:mp-8372}
RD_023786830623_000 computation Reference Data From Materials Project: {formula:SmCuSeO,spaceGroup:P4/nmm,id:mp-9194}
RD_023799192874_000 computation Reference Data From Materials Project: {formula:LiNi(SO4)2,spaceGroup:P1,id:mp-777013}
RD_023806780316_000 computation Reference Data From Materials Project: {formula:Bi19(O9F)3,spaceGroup:P6_3,id:mp-759031}
RD_023823775828_000 computation Reference Data From Materials Project: {formula:TlCr3S5,spaceGroup:C2/m,id:mp-542443}
RD_023827161197_000 computation Reference Data From Materials Project: {formula:Er2(SO4)3,spaceGroup:Pbna,id:mp-680350}
RD_023873629198_000 computation Reference Data From Materials Project: {formula:Xe(OF)2,spaceGroup:Cmcm,id:mp-27337}
RD_023874545355_000 computation Reference Data From Materials Project: {formula:RbAlPdF6,spaceGroup:Pmnb,id:mp-18453}
RD_023880815518_000 computation Reference Data From Materials Project: {formula:HoZnRh2,spaceGroup:Fm-3m,id:mp-864624}
RD_023883024886_000 computation Reference Data From Materials Project: {formula:Co3Sn(PO4)4,spaceGroup:Pm,id:mp-775131}
RD_023890391016_000 computation Reference Data From Materials Project: {formula:LiBiP2O7,spaceGroup:P2_1/c,id:mp-759673}
RD_023956644693_000 computation Reference Data From Materials Project: {formula:MnGa2Co,spaceGroup:Fm-3m,id:mp-623453}
RD_023957046507_000 computation Reference Data From Materials Project: {formula:La3ZnNi3,spaceGroup:Cmcm,id:mp-18573}
RD_023962763828_000 computation Reference Data From Materials Project: {formula:Li9Al(NiO4)2,spaceGroup:Pnma,id:mp-770517}
RD_023990615714_000 computation Reference Data From Materials Project: {formula:Na2GeO3,spaceGroup:Ccm2_1,id:mp-5784}
RD_023993525315_000 computation Reference Data From Materials Project: {formula:Tb4CdRh,spaceGroup:F-43m,id:mp-568366}
RD_023996425511_000 computation Reference Data From Materials Project: {formula:Cs2GeCl6,spaceGroup:Fm-3m,id:mp-27882}
RD_024011980240_000 computation Reference Data From Materials Project: {formula:LiAlH4,spaceGroup:P2_1/c,id:mp-27653}
RD_024021894476_000 computation Reference Data From Materials Project: {formula:SbPt7,spaceGroup:Fm-3m,id:mp-1030}
RD_024030085712_000 computation Reference Data From Materials Project: {formula:NaTiO2,spaceGroup:Pcab,id:mp-776894}
RD_024063186819_000 computation Reference Data From Materials Project: {formula:LiCu5(PO4)2,spaceGroup:P1,id:mp-755868}
RD_024071417954_000 computation Reference Data From Materials Project: {formula:Ga2P2H9NO11,spaceGroup:P2_1/c,id:mp-705497}
RD_024098013490_000 computation Reference Data From Materials Project: {formula:SmAl,spaceGroup:Pm-3m,id:mp-11221}
RD_024112665761_000 computation Reference Data From Materials Project: {formula:Li4Ti4Mn5O18,spaceGroup:Pbam,id:mp-769512}
RD_024113275244_000 computation Reference Data From Materials Project: {formula:Li2Cr(Si2O5)2,spaceGroup:P-1,id:mp-762393}
RD_024140503484_000 computation Reference Data From Materials Project: {formula:ZnS,spaceGroup:P3m1,id:mp-556775}
RD_024144706060_000 computation Reference Data From Materials Project: {formula:Ti2ReNi,spaceGroup:Fm-3m,id:mp-865728}
RD_024148222207_000 computation Reference Data From Materials Project: {formula:CuI,spaceGroup:F-43m,id:mp-22895}
RD_024175641975_000 computation Reference Data From Materials Project: {formula:SiO2,spaceGroup:P1,id:mp-556788}
RD_024176626399_000 experiment Experimental data collected from reference material at the University of Minnesota. Original source needs to be checked to verify ensemble and error values.
RD_024179179930_000 computation Reference Data From Materials Project: {formula:Na3SnPCO7,spaceGroup:P2_1/m,id:mp-757172}
RD_024186762690_000 computation Reference Data From Materials Project: {formula:TiAsRh,spaceGroup:F-43m,id:mp-961718}
RD_024203350609_000 computation Reference Data From Materials Project: {formula:TiPt3,spaceGroup:Pm-3m,id:mp-12107}
RD_024222838762_000 computation Reference Data From Materials Project: {formula:BaRhO3,spaceGroup:P6_3/mmc,id:mp-7685}
RD_024234341810_000 computation Reference Data From Materials Project: {formula:BaSn2S3,spaceGroup:P2_1/m,id:mp-27802}
RD_024249559688_000 computation Reference Data From Materials Project: {formula:YMgRh2,spaceGroup:Fm-3m,id:mp-866165}
RD_024250608504_000 computation Reference Data From Materials Project: {formula:Re,spaceGroup:P6_3/mmc,id:mp-8}
RD_024259745828_000 computation Reference Data From Materials Project: {formula:LiTc2Pd,spaceGroup:Fm-3m,id:mp-631334}
RD_024270937396_000 computation Reference Data From Materials Project: {formula:ZrNiSn,spaceGroup:F-43m,id:mp-924129}
RD_024274037923_000 computation Reference Data From Materials Project: {formula:ZnNiSb,spaceGroup:F-43m,id:mp-11621}
RD_024349121940_000 computation Reference Data From Materials Project: {formula:AlS2NCl4,spaceGroup:Pmnb,id:mp-559963}
RD_024357266771_000 computation Reference Data From Materials Project: {formula:U(SiOs)2,spaceGroup:I4/mmm,id:mp-5786}
RD_024388770395_000 computation Reference Data From Materials Project: {formula:TlBr,spaceGroup:Fm-3m,id:mp-568560}
RD_024396092121_000 computation Reference Data From Materials Project: {formula:TlCoO3,spaceGroup:P-1,id:mp-770614}
RD_024398522513_000 computation Reference Data From Materials Project: {formula:AsO2,spaceGroup:Pmcn,id:mp-27356}
RD_024431035487_000 computation Reference Data From Materials Project: {formula:Dy2Bi2O7,spaceGroup:Fd-3m,id:mp-769189}
RD_024435884320_000 computation Reference Data From Materials Project: {formula:V2O3,spaceGroup:P2_1/c,id:mp-776688}
RD_024438808912_000 computation Reference Data From Materials Project: {formula:ScIr,spaceGroup:Pm-3m,id:mp-1129}
RD_024463986244_000 computation Reference Data From Materials Project: {formula:U4Ga12Fe,spaceGroup:Im-3m,id:mp-642477}
RD_024468749119_000 computation Reference Data From Materials Project: {formula:LiFe(SiO3)2,spaceGroup:C222,id:mp-765849}
RD_024476685610_000 computation Reference Data From Materials Project: {formula:FeSnRu2,spaceGroup:Fm-3m,id:mp-636599}
RD_024479841668_000 computation Reference Data From Materials Project: {formula:Pr9O16,spaceGroup:P-1,id:mp-557002}
RD_024508636742_000 computation Reference Data From Materials Project: {formula:Ho2TiO5,spaceGroup:Cm,id:mp-530953}
RD_024517198460_000 computation Reference Data From Materials Project: {formula:UBi,spaceGroup:Fm-3m,id:mp-22886}
RD_024517400240_000 computation Reference Data From Materials Project: {formula:PuAl2,spaceGroup:Fd-3m,id:mp-21416}
RD_024523705695_000 computation Reference Data From Materials Project: {formula:RbCaF3,spaceGroup:Pm-3m,id:mp-3654}
RD_024525926439_000 computation Reference Data From Materials Project: {formula:Ba3CoSb2O9,spaceGroup:P6_3/mmc,id:mp-19337}
RD_024554207251_000 computation Reference Data From Materials Project: {formula:LiAc2Ge,spaceGroup:Fm-3m,id:mp-862667}
RD_024565766397_000 computation Reference Data From Materials Project: {formula:Ti5O8,spaceGroup:P1,id:mp-759920}
RD_024567050594_000 computation Reference Data From Materials Project: {formula:ZnS,spaceGroup:P3m1,id:mp-556392}
RD_024568241510_000 computation Reference Data From Materials Project: {formula:TiI3,spaceGroup:Pmnm,id:mp-23264}
RD_024581240860_000 computation Reference Data From Materials Project: {formula:Mn21Sn9O40,spaceGroup:I-4,id:mp-767308}
RD_024611907630_000 computation Reference Data From Materials Project: {formula:LiAg2Ge,spaceGroup:Fm-3m,id:mp-9472}
RD_024617270300_000 computation Reference Data From Materials Project: {formula:Li3Bi(BO3)2,spaceGroup:P-1,id:mp-768797}
RD_024620649663_000 computation Reference Data From Materials Project: {formula:Nb2FeO6,spaceGroup:Pnab,id:mp-645545}
RD_024621808873_000 computation Reference Data From Materials Project: {formula:Li4Ti2V3Co3O16,spaceGroup:Cm,id:mp-761998}
RD_024645471463_000 computation Reference Data From Materials Project: {formula:Ag10Te4Br3,spaceGroup:Ccm2_1,id:mp-568386}
RD_024651976265_000 computation Reference Data From Materials Project: {formula:Ga(IO3)3,spaceGroup:P6_3,id:mp-561104}
RD_024655613856_000 computation Reference Data From Materials Project: {formula:Ba3B(PO4)3,spaceGroup:Ibca,id:mp-6578}
RD_024667091777_000 computation Reference Data From Materials Project: {formula:Mn4(PO4)3,spaceGroup:Pnma,id:mp-504251}
RD_024699598292_000 computation Reference Data From Materials Project: {formula:MgCl2,spaceGroup:Pmcm,id:mp-571387}
RD_024724902312_000 computation Reference Data From Materials Project: {formula:ZnTe,spaceGroup:P6_3mc,id:mp-8884}
RD_024729556920_000 computation Reference Data From Materials Project: {formula:LiCo(CO3)2,spaceGroup:P2_1,id:mp-764978}
RD_024739385093_000 computation Reference Data From Materials Project: {formula:ErAgSn,spaceGroup:P-62m,id:mp-13265}
RD_024747271173_000 computation Reference Data From Materials Project: {formula:TeO2,spaceGroup:P4_12_12,id:mp-557}
RD_024764896677_000 computation Reference Data From Materials Project: {formula:Na2TlBi,spaceGroup:Fm-3m,id:mp-864898}
RD_024771459788_000 computation Reference Data From Materials Project: {formula:HoPbAu,spaceGroup:F-43m,id:mp-30389}
RD_024840846648_000 computation Reference Data From Materials Project: {formula:Li34(YSb2)13,spaceGroup:P3m1,id:mp-530670}
RD_024860522808_000 computation Reference Data From Materials Project: {formula:ErGaPd,spaceGroup:Pmnb,id:mp-31387}
RD_024864601235_000 computation Reference Data From Materials Project: {formula:NiAs,spaceGroup:P6_3/mmc,id:mp-2347}
RD_024867648126_000 computation Reference Data From Materials Project: {formula:Co3SbO8,spaceGroup:R-3m,id:mp-765847}
RD_024878222543_000 computation Reference Data From Materials Project: {formula:Ce8Ni18P11,spaceGroup:P-6m2,id:mp-571125}
RD_024893276901_000 computation Reference Data From Materials Project: {formula:Ti3Mn2Nb(PO4)6,spaceGroup:R3,id:mp-776888}
RD_024916014458_000 computation Reference Data From Materials Project: {formula:YbLiGe,spaceGroup:P-62m,id:mp-8482}
RD_024919698065_000 computation Reference Data From Materials Project: {formula:TbSnAu2,spaceGroup:Fm-3m,id:mp-864599}
RD_024944883903_000 computation Reference Data From Materials Project: {formula:Li2MnP2O7,spaceGroup:P2_1,id:mp-777067}
RD_024952407103_000 computation Reference Data From Materials Project: {formula:Be12Cr,spaceGroup:I4/mmm,id:mp-1590}
RD_024968812208_000 computation Reference Data From Materials Project: {formula:NdMgHg2,spaceGroup:Fm-3m,id:mp-864924}
RD_024980399341_000 computation Reference Data From Materials Project: {formula:Cr(PS3)3,spaceGroup:P1,id:mp-675980}
RD_024992410276_000 computation Reference Data From Materials Project: {formula:CaAlSi,spaceGroup:P6_3/mmc,id:mp-570150}
RD_024995156720_000 computation Reference Data From Materials Project: {formula:CaGa2,spaceGroup:P6_3/mmc,id:mp-11284}
RD_024997065855_000 computation Reference Data From Materials Project: {formula:EuGe2,spaceGroup:P-3m1,id:mp-22116}
RD_025017274959_000 computation Reference Data From Materials Project: {formula:LiMnVP2(HO5)2,spaceGroup:P1,id:mp-765378}
RD_025019098140_000 computation Reference Data From Materials Project: {formula:Sc6FeSb2,spaceGroup:P-62m,id:mp-11201}
RD_025035664450_000 computation Static VASP pseudpotential GGA-PBE DFT calculation of the potential energy and atomic forces acting on a randomly perturbed 8-atom cubic diamond unit cell of silicon atoms (this should correspond to the unrelaxed configuration used in KIM Tests TriclinicPBCEnergyAndForces_diamond_8atom_Si__TE_271635016552_000 and TriclinicPBCEnergyAndForces_diamond_8atom_Si__TE_271635016552_001). A plane-wave basis with an energy cutoff of 250 eV was used. A 11 x 11 x 11 gamma-centered Monkhorst-Pack k-point mesh was used (generating a total of 666 irredundant k-points).
RD_025037524001_000 computation Reference Data From Materials Project: {formula:ZrAgB,spaceGroup:F-43m,id:mp-961701}
RD_025058660255_000 computation Reference Data From Materials Project: {formula:Li2UBr6,spaceGroup:C2,id:mp-676450}
RD_025068052062_000 computation Reference Data From Materials Project: {formula:UH2Se2O9,spaceGroup:C2/c,id:mp-696467}
RD_025080181262_000 computation Reference Data From Materials Project: {formula:Eu2BaMn2O7,spaceGroup:Cmcm,id:mp-579071}
RD_025097368553_000 computation Reference Data From Materials Project: {formula:Ba2LaI7,spaceGroup:C2/c,id:mp-755770}
RD_025109071916_000 computation Reference Data From Materials Project: {formula:AlPt3,spaceGroup:Pm-3m,id:mp-188}
RD_025113135636_000 computation Reference Data From Materials Project: {formula:Li2VCrO4,spaceGroup:P2/c,id:mp-768055}
RD_025123407334_000 computation Reference Data From Materials Project: {formula:LiMnNbO4,spaceGroup:Imma,id:mp-769557}
RD_025127356634_000 computation Reference Data From Materials Project: {formula:Na2Zn2O3,spaceGroup:P4_32_12,id:mp-554845}
RD_025133006749_000 computation Reference Data From Materials Project: {formula:BaSm2ZnO5,spaceGroup:Pmcn,id:mp-6452}
RD_025137195728_000 computation Reference Data From Materials Project: {formula:ZnS,spaceGroup:P3m1,id:mp-556000}
RD_025153424028_000 computation Reference Data From Materials Project: {formula:MgCl2,spaceGroup:P-4m2,id:mp-570922}
RD_025217555612_000 computation Reference Data From Materials Project: {formula:Rb2Cd3Te4,spaceGroup:C2/c,id:mp-29901}
RD_025239277926_000 computation Reference Data From Materials Project: {formula:AgGeO3,spaceGroup:P2_12_12,id:mp-779706}
RD_025255803556_000 computation Reference Data From Materials Project: {formula:Li3Cr2NiO6,spaceGroup:C2/m,id:mp-771842}
RD_025264704669_000 computation Reference Data From Materials Project: {formula:Li4Ti3Fe2Ni3O16,spaceGroup:Cm,id:mp-763932}
RD_025277438271_000 computation Reference Data From Materials Project: {formula:BNF8,spaceGroup:P-42_1m,id:mp-4674}
RD_025280771456_000 computation Reference Data From Materials Project: {formula:CaCrF5,spaceGroup:C2/c,id:mp-556748}
RD_025301806412_000 experiment Experimental data collected from reference material at the University of Minnesota.
RD_025302727425_000 computation Reference Data From Materials Project: {formula:CsCoH18N6(ClO2)4,spaceGroup:Cm,id:mp-705517}
RD_025307440712_000 computation Reference Data From Materials Project: {formula:Li5V3P8O29,spaceGroup:P1,id:mp-765169}
RD_025339834642_000 computation Reference Data From Materials Project: {formula:Cu3BiSe2ClO8,spaceGroup:Pmnm,id:mp-505104}
RD_025339896845_000 computation Reference Data From Materials Project: {formula:Mg41Al67,spaceGroup:Pm-3m,id:mp-568106}
RD_025372867265_000 computation Reference Data From Materials Project: {formula:Li4Cr2Fe3Sn3O16,spaceGroup:Cm,id:mp-777903}
RD_025373796898_000 computation Reference Data From Materials Project: {formula:SmF3,spaceGroup:Pbnm,id:mp-7384}
RD_025376651201_000 computation Reference Data From Materials Project: {formula:Ti3Fe2Cu(PO4)6,spaceGroup:R3,id:mp-777685}
RD_025393746399_000 computation Reference Data From Materials Project: {formula:RbSb,spaceGroup:P2_12_12_1,id:mp-7444}
RD_025399888067_000 computation Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-850410}
RD_025410100553_000 computation Reference Data From Materials Project: {formula:FeH10N2OF5,spaceGroup:Pnab,id:mp-25753}
RD_025421565332_000 computation Reference Data From Materials Project: {formula:K(CuSe)2,spaceGroup:I4/mmm,id:mp-567657}
RD_025435244649_000 computation Reference Data From Materials Project: {formula:K2NaNiF6,spaceGroup:Fm-3m,id:mp-556757}
RD_025445321320_000 computation Reference Data From Materials Project: {formula:Th3P4,spaceGroup:I-43d,id:mp-1347}
RD_025448423659_000 computation Reference Data From Materials Project: {formula:NaTl2MoF6,spaceGroup:Fm-3m,id:mp-555970}
RD_025488137741_000 computation Reference Data From Materials Project: {formula:K3HRhC5N5O,spaceGroup:P-1,id:mp-697108}
RD_025506854455_000 computation Reference Data From Materials Project: {formula:Dy3BWO9,spaceGroup:P6_3,id:mp-645246}
RD_025509034902_000 computation Reference Data From Materials Project: {formula:In4Au9,spaceGroup:P-43m,id:mp-680545}
RD_025525135629_000 computation Reference Data From Materials Project: {formula:P2H12BrN7,spaceGroup:P-1,id:mp-758953}
RD_025541946568_000 computation Reference Data From Materials Project: {formula:KNa2Zn3(PO4)3,spaceGroup:P6_3,id:mp-14536}
RD_025547277707_000 computation Reference Data From Materials Project: {formula:In2NiS4,spaceGroup:Imcm,id:mp-674493}
RD_025554990218_000 computation Reference Data From Materials Project: {formula:Bi4(B2O5)3,spaceGroup:C2/c,id:mp-768923}
RD_025579411356_000 computation Reference Data From Materials Project: {formula:ZrBeSi,spaceGroup:P6_3/mmc,id:mp-10200}
RD_025585444743_000 computation Reference Data From Materials Project: {formula:K2Be3Zn2F12,spaceGroup:P2_13,id:mp-6372}
RD_025587791337_000 computation Reference Data From Materials Project: {formula:Pm2CoIr,spaceGroup:Fm-3m,id:mp-863660}
RD_025594279628_000 computation Reference Data From Materials Project: {formula:Li2Cr3Ni(SO4)6,spaceGroup:P1,id:mp-772687}
RD_025597078217_000 computation Reference Data From Materials Project: {formula:Ho2SO2,spaceGroup:P6_3/mmc,id:mp-756922}
RD_025605378590_000 computation Reference Data From Materials Project: {formula:Rb5FeO4,spaceGroup:Pbca,id:mp-770329}
RD_025607412345_000 computation Reference Data From Materials Project: {formula:LiFeP2O7,spaceGroup:Cc,id:mp-694534}
RD_025614203984_000 computation Reference Data From Materials Project: {formula:Yb11GaSb9,spaceGroup:Ic2a,id:mp-569811}
RD_025634066196_000 computation Reference Data From Materials Project: {formula:Cu2S,spaceGroup:Fm-3m,id:mp-12087}
RD_025636040922_000 computation Reference Data From Materials Project: {formula:Li8VNi3(PO4)6,spaceGroup:R3,id:mp-765328}
RD_025637916550_000 computation Reference Data From Materials Project: {formula:KLa(PS3)2,spaceGroup:P2_1/c,id:mp-560649}
RD_025665934964_000 computation Reference Data From Materials Project: {formula:LiFe2F5,spaceGroup:Pnnm,id:mp-776815}
RD_025666028766_000 computation Reference Data From Materials Project: {formula:Li3La5Ti6Nb2O26,spaceGroup:P2/c,id:mp-774524}
RD_025670127505_000 computation Reference Data From Materials Project: {formula:KSiPCO7,spaceGroup:P2_1,id:mp-772843}
RD_025690382017_000 computation Reference Data From Materials Project: {formula:MgCu2,spaceGroup:Fd-3m,id:mp-1038}
RD_025716375899_000 computation Reference Data From Materials Project: {formula:Fe6O7F6,spaceGroup:C2/m,id:mp-779899}
RD_025725916939_000 computation Reference Data From Materials Project: {formula:GdFe2,spaceGroup:Fd-3m,id:mp-20089}
RD_025728531516_000 computation Reference Data From Materials Project: {formula:Ti3Mn3(SbO8)2,spaceGroup:P1,id:mp-763292}
RD_025729853645_000 computation Reference Data From Materials Project: {formula:LiCr(SO4)2,spaceGroup:P1,id:mp-868649}
RD_025758552666_000 computation Reference Data From Materials Project: {formula:Ti3Al2NiN,spaceGroup:Fd-3m,id:mp-542028}
RD_025775101847_000 computation Reference Data From Materials Project: {formula:Ta2TiO6,spaceGroup:C2/m,id:mp-753676}
RD_025781877038_000 computation Reference Data From Materials Project: {formula:KNO3,spaceGroup:Pmcn,id:mp-9475}
RD_025792326226_000 computation Reference Data From Materials Project: {formula:Li3Ti4MnO12,spaceGroup:P1,id:mp-771928}
RD_025813601443_000 computation Reference Data From Materials Project: {formula:HoTl3,spaceGroup:Pm-3m,id:mp-2013}
RD_025815966806_000 computation Reference Data From Materials Project: {formula:LiSn(PO3)3,spaceGroup:P-1,id:mp-504211}
RD_025816600877_000 computation Reference Data From Materials Project: {formula:Ti3SnH,spaceGroup:Pm-3m,id:mp-644483}
RD_025869001682_000 computation Reference Data From Materials Project: {formula:BaSr3I8,spaceGroup:I4/mmm,id:mp-754736}
RD_025879128654_000 computation Reference Data From Materials Project: {formula:HgHClO4,spaceGroup:Pcmb,id:mp-24294}
RD_025888852170_000 computation Reference Data From Materials Project: {formula:BaSb2F12,spaceGroup:P1,id:mp-554765}
RD_025889030767_000 computation Reference Data From Materials Project: {formula:BS2,spaceGroup:P2_1/c,id:mp-540668}
RD_025890333125_000 computation Reference Data From Materials Project: {formula:Lu6WO12,spaceGroup:R-3,id:mp-773285}
RD_025890840443_000 computation Reference Data From Materials Project: {formula:TbFe2,spaceGroup:Fd-3m,id:mp-589}
RD_025904490100_000 computation Reference Data From Materials Project: {formula:Ti3AlN,spaceGroup:Pm-3m,id:mp-10675}
RD_025919434324_000 computation Reference Data From Materials Project: {formula:LaCuSe2,spaceGroup:P2_1/c,id:mp-11790}
RD_025926599708_000 computation Reference Data From Materials Project: {formula:ZrTe3O8,spaceGroup:Ia3,id:mp-4759}
RD_025938008778_000 computation Reference Data From Materials Project: {formula:TiBrO,spaceGroup:P1,id:mp-667198}
RD_025948295289_000 computation Reference Data From Materials Project: {formula:Co6O5F7,spaceGroup:P1,id:mp-764168}
RD_025962163013_000 computation Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:Immm,id:mp-568050}
RD_025978086610_000 computation Reference Data From Materials Project: {formula:ZrCuF6,spaceGroup:R-3,id:mp-8096}
RD_025989922713_000 computation Reference Data From Materials Project: {formula:Li6Fe3Cu(PO4)6,spaceGroup:P1,id:mp-769476}
RD_025990298186_000 computation Reference Data From Materials Project: {formula:LaMg2H7,spaceGroup:P4_12_12,id:mp-703316}
RD_026017922538_000 computation Reference Data From Materials Project: {formula:TbAlPd,spaceGroup:P-62m,id:mp-3197}
RD_026022369730_000 computation Reference Data From Materials Project: {formula:SmSi3Rh5,spaceGroup:P6_3/m,id:mp-21780}
RD_026033358710_000 computation Reference Data From Materials Project: {formula:Ag7(PbO3)3,spaceGroup:C2/m,id:mp-757612}
RD_026095633669_000 computation Reference Data From Materials Project: {formula:Mn4Be3Si3SO12,spaceGroup:P-43n,id:mp-19314}
RD_026096049618_000 computation Reference Data From Materials Project: {formula:Li7Mn11O24,spaceGroup:P-1,id:mp-34461}