Reference Data - Alphabetical


Short KIM ID Notes Description
RD_000018659700_000 Reference Data From Materials Project: {formula:LiSn4(PO4)3,spaceGroup:P-1,id:mp-765150}
RD_000028157616_000 Reference Data From Materials Project: {formula:Nb4CrSe8,spaceGroup:P6_3/mmc,id:mp-17865}
RD_000029852774_000 Reference Data From Materials Project: {formula:Y3Sb4Au3,spaceGroup:I-43d,id:mp-13654}
RD_000040069304_000 Reference Data From Materials Project: {formula:In2Te2MoO10,spaceGroup:P2_1/c,id:mp-566802}
RD_000044147564_000 Reference Data From Materials Project: {formula:NpS,spaceGroup:Fm-3m,id:mp-10109}
RD_000052068463_000 Reference Data From Materials Project: {formula:Li4MgCo3O8,spaceGroup:R-3m,id:mp-773461}
RD_000056518545_000 Reference Data From Materials Project: {formula:RbNbSiO5,spaceGroup:P2_12_12_1,id:mp-557778}
RD_000068012393_000 Reference Data From Materials Project: {formula:Li2VO2F,spaceGroup:P1,id:mp-763175}
RD_000078579809_000 Reference Data From Materials Project: {formula:ZnSeO3,spaceGroup:Pcab,id:mp-5338}
RD_000091976931_000 Reference Data From Materials Project: {formula:InPH4NO5,spaceGroup:P4_32_12,id:mp-707924}
RD_000110842856_000 Reference Data From Materials Project: {formula:NaCaAs,spaceGroup:F-43m,id:mp-961685}
RD_000114365459_000 Reference Data From Materials Project: {formula:ErSbPd,spaceGroup:F-43m,id:mp-11836}
RD_000114617500_000 Reference Data From Materials Project: {formula:RbAg5Se3,spaceGroup:P4/nbm,id:mp-29685}
RD_000114680279_000 Reference Data From Materials Project: {formula:BaSi2,spaceGroup:P4_332,id:mp-7275}
RD_000118335077_000 Reference Data From Materials Project: {formula:SrInPt,spaceGroup:Pmnb,id:mp-22284}
RD_000126358049_000 Reference Data From Materials Project: {formula:Tm2Ti2O7,spaceGroup:Fd-3m,id:mp-38418}
RD_000128907575_000 Reference Data From Materials Project: {formula:Li4V3Cu3(SbO8)2,spaceGroup:P1,id:mp-771539}
RD_000139274786_000 Reference Data From Materials Project: {formula:Dy3AlC,spaceGroup:Pm-3m,id:mp-29676}
RD_000158672399_000 Reference Data From Materials Project: {formula:La5Sn3,spaceGroup:I4/mcm,id:mp-510494}
RD_000160544572_000 Reference Data From Materials Project: {formula:La5Al3Ni2,spaceGroup:Ccmm,id:mp-569071}
RD_000169843298_000 Reference Data From Materials Project: {formula:Ce(NiSn)2,spaceGroup:I4/mmm,id:mp-22026}
RD_000180531458_000 Reference Data From Materials Project: {formula:LiNdGeO4,spaceGroup:Pcnb,id:mp-556814}
RD_000206136153_000 Reference Data From Materials Project: {formula:LiTi2O4,spaceGroup:Imma,id:mp-760594}
RD_000218151475_000 Reference Data From Materials Project: {formula:Mg2B24C,spaceGroup:P-4n2,id:mp-568556}
RD_000232938691_000 Reference Data From Materials Project: {formula:ErS,spaceGroup:Fm-3m,id:mp-1623}
RD_000275341021_000 Reference Data From Materials Project: {formula:RbPS3,spaceGroup:Immm,id:mp-556953}
RD_000280275475_000 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_258228319817_000 and ClusterEnergyAndForces_6atom_Si__TE_258228319817_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_000282761336_000 Reference Data From Materials Project: {formula:Ho2Pt2O7,spaceGroup:Fd-3m,id:mp-755635}
RD_000321787816_000 Reference Data From Materials Project: {formula:KNb4AsO13,spaceGroup:P1,id:mp-695209}
RD_000340425188_000 Reference Data From Materials Project: {formula:RbPHO3F,spaceGroup:P2_1,id:mp-677138}
RD_000348694631_000 Reference Data From Materials Project: {formula:PmYMg2,spaceGroup:Fm-3m,id:mp-862969}
RD_000353799818_000 Reference Data From Materials Project: {formula:TiP6(WO8)3,spaceGroup:R3,id:mp-772373}
RD_000362719153_000 Reference Data From Materials Project: {formula:TlSnPS4,spaceGroup:P2_1cn,id:mp-6057}
RD_000366801729_000 Reference Data From Materials Project: {formula:PaNi2Sb,spaceGroup:Fm-3m,id:mp-861992}
RD_000375223997_000 Reference Data From Materials Project: {formula:ZnS,spaceGroup:P6_3mc,id:mp-561286}
RD_000376126864_000 Reference Data From Materials Project: {formula:Fe3P,spaceGroup:I-4,id:mp-18708}
RD_000385811777_000 Reference Data From Materials Project: {formula:Ba2Ti9O20,spaceGroup:P-1,id:mp-560731}
RD_000389741439_000 Reference Data From Materials Project: {formula:SrPb3,spaceGroup:Pm-3m,id:mp-21162}
RD_000392608137_000 Reference Data From Materials Project: {formula:Na2Fe2O5,spaceGroup:Pcmn,id:mp-764855}
RD_000403940262_000 Reference Data From Materials Project: {formula:Rb3Au7,spaceGroup:Cmmm,id:mp-31144}
RD_000405592308_000 Reference Data From Materials Project: {formula:BaSr7V8(Si2O7)8,spaceGroup:Pm,id:mp-778499}
RD_000423172938_000 Reference Data From Materials Project: {formula:Na2CeO3,spaceGroup:P4/mmm,id:mp-35404}
RD_000433553348_000 Reference Data From Materials Project: {formula:TmGaO3,spaceGroup:Pbnm,id:mp-754578}
RD_000434393126_000 Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P2_1/c,id:mp-766301}
RD_000436083655_000 Reference Data From Materials Project: {formula:NaZr2CuF11,spaceGroup:P-1,id:mp-559126}
RD_000449089723_000 Reference Data From Materials Project: {formula:ThCoSn,spaceGroup:P-62m,id:mp-22339}
RD_000464324105_000 Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:Cc,id:mp-850248}
RD_000466702080_000 Reference Data From Materials Project: {formula:CsReO4,spaceGroup:Pnma,id:mp-17621}
RD_000494017323_000 Reference Data From Materials Project: {formula:BaGa4S7,spaceGroup:P2_1nm,id:mp-4309}
RD_000505689556_000 Reference Data From Materials Project: {formula:DyMnGe,spaceGroup:Pmnb,id:mp-21155}
RD_000512733981_000 Reference Data From Materials Project: {formula:Cu2S,spaceGroup:P1,id:mp-674831}
RD_000514830164_000 Reference Data From Materials Project: {formula:Ge7H18O23,spaceGroup:P1,id:mp-627418}
RD_000518519924_000 Reference Data From Materials Project: {formula:Dy2C,spaceGroup:R-3m,id:mp-12574}
RD_000528317971_000 Reference Data From Materials Project: {formula:NaMn3O6,spaceGroup:Fddd,id:mp-766558}
RD_000530596258_000 Reference Data From Materials Project: {formula:Li6Sn5(P2O7)4,spaceGroup:P-1,id:mp-765227}
RD_000553894668_000 Reference Data From Materials Project: {formula:Gd(SiPt)2,spaceGroup:P4/nmm,id:mp-637220}
RD_000554193297_000 Reference Data From Materials Project: {formula:Ba3(PS4)2,spaceGroup:P-3m1,id:mp-561443}
RD_000574896163_000 Reference Data From Materials Project: {formula:Ba4La6Mn5In5O30,spaceGroup:Cm,id:mp-744583}
RD_000591838379_000 Reference Data From Materials Project: {formula:Li4TiV3O10,spaceGroup:P-4m2,id:mp-773465}
RD_000604020639_000 Reference Data From Materials Project: {formula:Na5LiFe2P2(CO7)2,spaceGroup:P-1,id:mp-773414}
RD_000614474660_000 Reference Data From Materials Project: {formula:Li2VPCO7,spaceGroup:P2_1/m,id:mp-25639}
RD_000617899797_000 Reference Data From Materials Project: {formula:Dy3Ge5,spaceGroup:Fd2d,id:mp-505577}
RD_000622047882_000 Reference Data From Materials Project: {formula:Nb(NiP4)4,spaceGroup:C2/c,id:mp-30541}
RD_000651396656_000 Reference Data From Materials Project: {formula:CsHoS2,spaceGroup:R-3m,id:mp-505158}
RD_000685562914_000 Reference Data From Materials Project: {formula:SrCaI4,spaceGroup:Imcm,id:mp-850277}
RD_000708963480_000 Reference Data From Materials Project: {formula:Nb3Rh,spaceGroup:Pm-3n,id:mp-1545}
RD_000710709260_000 Reference Data From Materials Project: {formula:H2CO2,spaceGroup:Pna2_1,id:mp-625104}
RD_000728108240_000 Reference Data From Materials Project: {formula:MnB,spaceGroup:P4_2/ncm,id:mp-616575}
RD_000739537979_000 Reference Data From Materials Project: {formula:Li3Co(CuO2)4,spaceGroup:C2/m,id:mp-770184}
RD_000755028626_000 Reference Data From Materials Project: {formula:YB2Rh2C,spaceGroup:I4/mmm,id:mp-12737}
RD_000784548694_000 Reference Data From Materials Project: {formula:H2SeO4,spaceGroup:P2_12_12_1,id:mp-23866}
RD_000791220857_000 Reference Data From Materials Project: {formula:Li4Mn3Sb(PO4)4,spaceGroup:Pm,id:mp-767241}
RD_000807634401_000 Reference Data From Materials Project: {formula:K5As2Au,spaceGroup:P6_3/mmc,id:mp-8683}
RD_000831118119_000 Reference Data From Materials Project: {formula:Ba23U8O48,spaceGroup:Fm-3m,id:mp-530905}
RD_000865468056_000 Reference Data From Materials Project: {formula:LiSn2P3O10,spaceGroup:P2_1/c,id:mp-684493}
RD_000888900888_000 Reference Data From Materials Project: {formula:WBr5,spaceGroup:C2/m,id:mp-29554}
RD_000934886318_000 Reference Data From Materials Project: {formula:Rb2Mn(PO3)4,spaceGroup:P2_1/c,id:mp-566720}
RD_000935090802_000 Reference Data From Materials Project: {formula:Sr(SbO3)2,spaceGroup:P-31m,id:mp-9126}
RD_000959801322_000 Reference Data From Materials Project: {formula:YMgGa,spaceGroup:P-62m,id:mp-5590}
RD_000967101161_000 Reference Data From Materials Project: {formula:Sr2YAlCu2O7,spaceGroup:I2cm,id:mp-643741}
RD_000975576193_000 Reference Data From Materials Project: {formula:TaS,spaceGroup:P-6m2,id:mp-10628}
RD_001002630378_000 Reference Data From Materials Project: {formula:Na3PO4,spaceGroup:P-42_1c,id:mp-4223}
RD_001014493099_000 Reference Data From Materials Project: {formula:Sb11S18,spaceGroup:P1,id:mp-753921}
RD_001019348362_000 Reference Data From Materials Project: {formula:NdSi,spaceGroup:Pmcn,id:mp-9967}
RD_001020783396_000 Reference Data From Materials Project: {formula:LiMnP2O7,spaceGroup:P2_1/c,id:mp-777093}
RD_001035319937_000 Reference Data From Materials Project: {formula:Na2MoSeO6,spaceGroup:P2_13,id:mp-567030}
RD_001055095016_000 Reference Data From Materials Project: {formula:Re3(SeBr)7,spaceGroup:P31c,id:mp-680015}
RD_001097906703_000 Reference Data From Materials Project: {formula:AlCo3C,spaceGroup:Pm-3m,id:mp-10037}
RD_001104350877_000 Reference Data From Materials Project: {formula:LiMn2F5,spaceGroup:C2/c,id:mp-766669}
RD_001141435929_000 Reference Data From Materials Project: {formula:NpCl3,spaceGroup:P6_3/m,id:mp-23278}
RD_001165650147_000 Reference Data From Materials Project: {formula:InPd3,spaceGroup:Pm-3m,id:mp-31337}
RD_001166035520_000 Reference Data From Materials Project: {formula:Bi2TeSe2,spaceGroup:R-3m,id:mp-31406}
RD_001174962663_000 Reference Data From Materials Project: {formula:K3Li5Al6Si10(O5F)6,spaceGroup:P-1,id:mp-735910}
RD_001190026147_000 Reference Data From Materials Project: {formula:SnS2,spaceGroup:P6_3mc,id:mp-9984}
RD_001200679512_000 Reference Data From Materials Project: {formula:ReIr3,spaceGroup:P6_3/mmc,id:mp-867792}
RD_001202619291_000 Reference Data From Materials Project: {formula:Ca5Al11TlSi13O48,spaceGroup:P1,id:mp-703276}
RD_001204783035_000 Reference Data From Materials Project: {formula:YbSb,spaceGroup:Fm-3m,id:mp-1916}
RD_001214241393_000 Reference Data From Materials Project: {formula:Cr2Fe3(SiO4)3,spaceGroup:Ia-3d,id:mp-19631}
RD_001244822392_000 Reference Data From Materials Project: {formula:Sb3Au,spaceGroup:Im-3m,id:mp-29665}
RD_001254899059_000 Reference Data From Materials Project: {formula:AlCuO2,spaceGroup:P6_3/mmc,id:mp-3098}
RD_001255127406_000 Reference Data From Materials Project: {formula:CaPd2,spaceGroup:Fd-3m,id:mp-833}
RD_001261864514_000 Reference Data From Materials Project: {formula:RbNa3Mo2H18O17,spaceGroup:P6_3/m,id:mp-735488}
RD_001267122893_000 Reference Data From Materials Project: {formula:Rb2H6Pt,spaceGroup:Fm-3m,id:mp-643101}
RD_001273396431_000 Reference Data From Materials Project: {formula:Cu3N,spaceGroup:Pm-3m,id:mp-1933}
RD_001282520573_000 Reference Data From Materials Project: {formula:Na3In,spaceGroup:I4/mmm,id:mp-864758}
RD_001286427577_000 Reference Data From Materials Project: {formula:MnSiNi,spaceGroup:Pmnb,id:mp-20949}
RD_001287609946_000 Reference Data From Materials Project: {formula:Mn2OF3,spaceGroup:Pnma,id:mp-767172}
RD_001288424899_000 Reference Data From Materials Project: {formula:UTe3Pb2O11,spaceGroup:P2_1/c,id:mp-559937}
RD_001298923595_000 Reference Data From Materials Project: {formula:Ca5B3O9F,spaceGroup:Cm,id:mp-6632}
RD_001320905832_000 Reference Data From Materials Project: {formula:YAgSn,spaceGroup:P6_3mc,id:mp-5729}
RD_001343230162_000 Reference Data From Materials Project: {formula:TaO2,spaceGroup:I4_1/a,id:mp-683983}
RD_001345673474_000 Reference Data From Materials Project: {formula:Ce4In8Ni7,spaceGroup:Cmmm,id:mp-580324}
RD_001347371315_000 Reference Data From Materials Project: {formula:CdSe,spaceGroup:F-43m,id:mp-2691}
RD_001355568776_000 Reference Data From Materials Project: {formula:LiMn(PO3)3,spaceGroup:P2_12_12_1,id:mp-762698}
RD_001375749482_000 Reference Data From Materials Project: {formula:Ce3SiCuSe7,spaceGroup:P6_3,id:mp-571472}
RD_001410882635_000 Reference Data From Materials Project: {formula:Mg16Si8HO32,spaceGroup:P1,id:mp-707521}
RD_001426689225_000 Reference Data From Materials Project: {formula:Na3NiPCO7,spaceGroup:P2_1,id:mp-773241}
RD_001442404961_000 Reference Data From Materials Project: {formula:Gd(CoB)2,spaceGroup:I4/mmm,id:mp-610530}
RD_001461684546_000 Reference Data From Materials Project: {formula:Nb3CoS6,spaceGroup:P6_322,id:mp-7116}
RD_001469212122_000 Reference Data From Materials Project: {formula:ZnPH3O5,spaceGroup:P-1,id:mp-707311}
RD_001528014009_000 Reference Data From Materials Project: {formula:ErNi,spaceGroup:Pmcn,id:mp-567314}
RD_001534788029_000 Reference Data From Materials Project: {formula:Si5Pt12,spaceGroup:I4/m,id:mp-16317}
RD_001547552080_000 Reference Data From Materials Project: {formula:RbErSeCl2O3,spaceGroup:P2_1/c,id:mp-557019}
RD_001553260006_000 Reference Data From Materials Project: {formula:Li3CoSiO5,spaceGroup:P2_1nb,id:mp-763492}
RD_001556449441_000 Reference Data From Materials Project: {formula:SbICl8,spaceGroup:P4_1,id:mp-569512}
RD_001595162200_000 Reference Data From Materials Project: {formula:B3H52C16(NO)12,spaceGroup:Cmm2,id:mp-699412}
RD_001604723814_000 Reference Data From Materials Project: {formula:VCr2O4,spaceGroup:Fd-3m,id:mp-769865}
RD_001612746543_000 Reference Data From Materials Project: {formula:Li4Nb2Fe3Ni3O16,spaceGroup:Cm,id:mp-762913}
RD_001629793015_000 Reference Data From Materials Project: {formula:Li2Ni3(P2O7)2,spaceGroup:P2_1,id:mp-868419}
RD_001644618194_000 Reference Data From Materials Project: {formula:Cs2CaO2,spaceGroup:Pbcn,id:mp-753803}
RD_001662117136_000 Reference Data From Materials Project: {formula:Zr4(AlC2)3,spaceGroup:P6_3/mmc,id:mp-569326}
RD_001665107667_000 Reference Data From Materials Project: {formula:MgAlPd2,spaceGroup:Fm-3m,id:mp-865152}
RD_001696358521_000 Reference Data From Materials Project: {formula:YInAu2,spaceGroup:Fm-3m,id:mp-22493}
RD_001707706334_000 Reference Data From Materials Project: {formula:YNi5,spaceGroup:P6/mmm,id:mp-2152}
RD_001743252417_000 Reference Data From Materials Project: {formula:NaH9O5,spaceGroup:P1,id:mp-625483}
RD_001760287982_000 Reference Data From Materials Project: {formula:LiLa4FeO8,spaceGroup:Cmmm,id:mp-769842}
RD_001795413441_000 Reference Data From Materials Project: {formula:NaVSe2,spaceGroup:R-3m,id:mp-3567}
RD_001802989137_000 Reference Data From Materials Project: {formula:Sc5Sn3,spaceGroup:P6_3/mcm,id:mp-17695}
RD_001859398344_000 Reference Data From Materials Project: {formula:LiP3W2O13,spaceGroup:C2/c,id:mp-763650}
RD_001861900030_000 Reference Data From Materials Project: {formula:Er5NiPb3,spaceGroup:P6_3/mcm,id:mp-570864}
RD_001869107540_000 Reference Data From Materials Project: {formula:Li5Ni5(SbO6)2,spaceGroup:C2,id:mp-770990}
RD_001890320031_000 Reference Data From Materials Project: {formula:MgB4,spaceGroup:Pmnb,id:mp-365}
RD_001896034724_000 Reference Data From Materials Project: {formula:Ce3InC,spaceGroup:Pm-3m,id:mp-20992}
RD_001903512260_000 Reference Data From Materials Project: {formula:UH12C2S2N6O13,spaceGroup:C2/c,id:mp-722353}
RD_001904540052_000 Reference Data From Materials Project: {formula:LiV2F7,spaceGroup:C2/c,id:mp-776623}
RD_001913153716_000 Reference Data From Materials Project: {formula:CsH24Rh(SO10)2,spaceGroup:Pa3,id:mp-707209}
RD_001950720834_000 Reference Data From Materials Project: {formula:Li3FePCO7,spaceGroup:P2_1/c,id:mp-767878}
RD_001978645138_000 Reference Data From Materials Project: {formula:H12C4S3(N3Cl2)2,spaceGroup:P1,id:mp-677337}
RD_001987222657_000 Reference Data From Materials Project: {formula:SmMnO3,spaceGroup:Pbnm,id:mp-25026}
RD_001994952827_000 Reference Data From Materials Project: {formula:Li2VF4,spaceGroup:P4_122,id:mp-778060}
RD_001999387817_000 Reference Data From Materials Project: {formula:FeH9C3N7O2,spaceGroup:P2_1/c,id:mp-542702}
RD_002017263099_000 Reference Data From Materials Project: {formula:In2O3,spaceGroup:Ia3,id:mp-22598}
RD_002017937817_000 Reference Data From Materials Project: {formula:Na2FeBAsO7,spaceGroup:P2_1/m,id:mp-771805}
RD_002021878720_000 Reference Data From Materials Project: {formula:ScSiPt,spaceGroup:Pmnb,id:mp-9225}
RD_002026186999_000 Reference Data From Materials Project: {formula:Mn3Cr(PO4)4,spaceGroup:Pm,id:mp-775395}
RD_002028547584_000 Reference Data From Materials Project: {formula:Mg5(Si8Pd5)2,spaceGroup:F-43m,id:mp-634984}
RD_002039209136_000 Reference Data From Materials Project: {formula:DySe,spaceGroup:Fm-3m,id:mp-814}
RD_002040511184_000 Reference Data From Materials Project: {formula:Tm(BO2)3,spaceGroup:Pmcn,id:mp-680717}
RD_002041378487_000 Reference Data From Materials Project: {formula:LiCr3O8,spaceGroup:Pnma,id:mp-772513}
RD_002066192081_000 Reference Data From Materials Project: {formula:Cs2TeI6,spaceGroup:Fm-3m,id:mp-540957}
RD_002066966039_000 Reference Data From Materials Project: {formula:Si3As4,spaceGroup:P-43m,id:mp-570744}
RD_002067505818_000 Reference Data From Materials Project: {formula:Li6V3P8O29,spaceGroup:Cc,id:mp-773684}
RD_002086359809_000 Reference Data From Materials Project: {formula:Li2VGa3O8,spaceGroup:P1,id:mp-771679}
RD_002107959895_000 Reference Data From Materials Project: {formula:CaH12(IO7)2,spaceGroup:C2/c,id:mp-698021}
RD_002116391671_000 Reference Data From Materials Project: {formula:HfScRh2,spaceGroup:Fm-3m,id:mp-865041}
RD_002167401775_000 Reference Data From Materials Project: {formula:SrSnP,spaceGroup:P4/nmm,id:mp-8539}
RD_002168795560_000 Reference Data From Materials Project: {formula:Ca4CN4,spaceGroup:Pmnb,id:mp-5251}
RD_002196567776_000 Reference Data From Materials Project: {formula:Dy2V2O7,spaceGroup:Fd-3m,id:mp-642823}
RD_002203100153_000 Reference Data From Materials Project: {formula:PuH8(SO6)2,spaceGroup:Pcmn,id:mp-24478}
RD_002206089891_000 Reference Data From Materials Project: {formula:LiNb(PO3)4,spaceGroup:C222_1,id:mp-757142}
RD_002228216197_000 Reference Data From Materials Project: {formula:SmI3,spaceGroup:P6_3/mmc,id:mp-867893}
RD_002244318852_000 Reference Data From Materials Project: {formula:LuZnRh2,spaceGroup:Fm-3m,id:mp-865566}
RD_002248676671_000 Reference Data From Materials Project: {formula:MoAs2O7,spaceGroup:P2_1/c,id:mp-505127}
RD_002261124980_000 Reference Data From Materials Project: {formula:TlOF,spaceGroup:Cm,id:mp-685515}
RD_002307893272_000 Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571646}
RD_002311455172_000 Reference Data From Materials Project: {formula:Pr2In,spaceGroup:P6_3/mmc,id:mp-19854}
RD_002321826854_000 Reference Data From Materials Project: {formula:LiFe(PO3)3,spaceGroup:P2_12_12_1,id:mp-762491}
RD_002327912044_000 Reference Data From Materials Project: {formula:Li4MoO5,spaceGroup:I4,id:mp-699343}
RD_002334155208_000 Reference Data From Materials Project: {formula:CaU(MoO4)4,spaceGroup:P2/c,id:mp-567297}
RD_002347797500_000 Reference Data From Materials Project: {formula:TiO2,spaceGroup:Pbcn,id:mp-775938}
RD_002355740123_000 Reference Data From Materials Project: {formula:ZnH8C2N4(ClO)2,spaceGroup:P-1,id:mp-24664}
RD_002374573925_000 Reference Data From Materials Project: {formula:YMgIn,spaceGroup:P-62m,id:mp-21503}
RD_002385969038_000 Reference Data From Materials Project: {formula:YbIn4Pd,spaceGroup:Ccmm,id:mp-567404}
RD_002391101081_000 Reference Data From Materials Project: {formula:YbMgPd,spaceGroup:Pmnb,id:mp-11098}
RD_002402887982_000 Reference Data From Materials Project: {formula:NpCdPt2,spaceGroup:Fm-3m,id:mp-864787}
RD_002410507916_000 Reference Data From Materials Project: {formula:Li6Bi3P8O29,spaceGroup:Cc,id:mp-26327}
RD_002422422646_000 Reference Data From Materials Project: {formula:Ba2CaTl2(CuO4)2,spaceGroup:I4/mmm,id:mp-6885}
RD_002445716723_000 Reference Data From Materials Project: {formula:LiVP4(H2O3)6,spaceGroup:C2/c,id:mp-780505}
RD_002451251298_000 Reference Data From Materials Project: {formula:Ac2CuSn,spaceGroup:Fm-3m,id:mp-865470}
RD_002454243195_000 Reference Data From Materials Project: {formula:H8C2NCl,spaceGroup:P2_1/m,id:mp-570388}
RD_002470830884_000 Reference Data From Materials Project: {formula:DyCrO4,spaceGroup:I4_1/amd,id:mp-18754}
RD_002489924432_000 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_460626298310_000 and TriclinicPBCEnergyAndForces_bcc_2atom_Si__TE_460626298310_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_002490484495_000 Reference Data From Materials Project: {formula:H4NClO5,spaceGroup:P2_1cn,id:mp-720615}
RD_002495238061_000 Reference Data From Materials Project: {formula:Ta2Mn3O8,spaceGroup:I4_1/a,id:mp-31909}
RD_002525327375_000 Reference Data From Materials Project: {formula:K4BeP2,spaceGroup:R-3m,id:mp-9872}
RD_002528775153_000 Reference Data From Materials Project: {formula:Fe3O4,spaceGroup:R-3m,id:mp-715558}
RD_002536786498_000 Reference Data From Materials Project: {formula:Ni23Te42,spaceGroup:P-1,id:mp-684997}
RD_002541060730_000 Reference Data From Materials Project: {formula:Na4Al3Ge3BrO12,spaceGroup:P-43n,id:mp-559084}
RD_002555165917_000 Reference Data From Materials Project: {formula:CsPbF3,spaceGroup:Pm-3m,id:mp-5811}
RD_002560196055_000 Reference Data From Materials Project: {formula:CsNO2,spaceGroup:P3_121,id:mp-3288}
RD_002564852677_000 Reference Data From Materials Project: {formula:Li3MnV4O12,spaceGroup:C2,id:mp-775229}
RD_002574872053_000 Reference Data From Materials Project: {formula:P2Pb3O8,spaceGroup:P-3,id:mp-758234}
RD_002580303911_000 Reference Data From Materials Project: {formula:CaTa2O6,spaceGroup:Pm3,id:mp-554038}
RD_002606274319_000 Reference Data From Materials Project: {formula:AlVMoO7,spaceGroup:Pmcn,id:mp-25709}
RD_002628474310_000 Reference Data From Materials Project: {formula:Li2CePb,spaceGroup:Fm-3m,id:mp-865932}
RD_002630382163_000 Reference Data From Materials Project: {formula:CeBi,spaceGroup:P4/mmm,id:mp-635471}
RD_002641282800_000 Reference Data From Materials Project: {formula:LiInPt2,spaceGroup:Fm-3m,id:mp-862774}
RD_002664934845_000 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_693140200195_000 and TriclinicPBCEnergyAndForces_diamond_8atom_Si__TE_693140200195_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_002677029969_000 Reference Data From Materials Project: {formula:CsTi2Cl7,spaceGroup:P2_1/m,id:mp-505663}
RD_002681148776_000 Reference Data From Materials Project: {formula:Al8(Pb3O7)3,spaceGroup:Pa3,id:mp-13875}
RD_002707504060_000 Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-23156) because the author said they use similar DFT input parameters as the items in the Materials Project. Vancancy Diffusion Properties from DFT Calculation: He, hcp
RD_002721261854_000 Reference Data From Materials Project: {formula:Tc3Rh,spaceGroup:P6_3/mmc,id:mp-861626}
RD_002722191508_000 Reference Data From Materials Project: {formula:CaAu5,spaceGroup:F-43m,id:mp-568920}
RD_002725049091_000 Reference Data From Materials Project: {formula:Sr,spaceGroup:P6/mmm,id:mp-19858}
RD_002726789029_000 Reference Data From Materials Project: {formula:KLaCr2O8,spaceGroup:P2_1/c,id:mp-560078}
RD_002732547001_000 Reference Data From Materials Project: {formula:Er7Rh3,spaceGroup:P6_3mc,id:mp-30612}
RD_002737931066_000 Reference Data From Materials Project: {formula:Li3Ti2(PO4)3,spaceGroup:Ia-3d,id:mp-757914}
RD_002738999204_000 Reference Data From Materials Project: {formula:H4N2O3,spaceGroup:Pbnm,id:mp-625676}
RD_002746565127_000 Reference Data From Materials Project: {formula:YbTmPt2,spaceGroup:Fm-3m,id:mp-865415}
RD_002747859125_000 Reference Data From Materials Project: {formula:Sr(Ni2Sn)2,spaceGroup:I4/mcm,id:mp-18127}
RD_002758924200_000 Reference Data From Materials Project: {formula:Li2MnO2F,spaceGroup:P1,id:mp-767056}
RD_002788247228_000 Reference Data From Materials Project: {formula:Cr5S6,spaceGroup:P-31c,id:mp-1311}
RD_002806677684_000 Reference Data From Materials Project: {formula:NaPH4SO8,spaceGroup:P2_1,id:mp-757203}
RD_002818302765_000 Reference Data From Materials Project: {formula:Li3P11(H3N)17,spaceGroup:P-1,id:mp-722502}
RD_002829852185_000 Reference Data From Materials Project: {formula:Bi2SeO2,spaceGroup:I4/mmm,id:mp-552098}
RD_002841169791_000 Reference Data From Materials Project: {formula:Li5WNO4,spaceGroup:Ccm2_1,id:mp-772397}
RD_002842728195_000 Reference Data From Materials Project: {formula:ScSi2,spaceGroup:P6/mmm,id:mp-2841}
RD_002848398913_000 Reference Data From Materials Project: {formula:AlCuO2,spaceGroup:P6_3/mmc,id:mp-3098}
RD_002859734835_000 Reference Data From Materials Project: {formula:EuVO3,spaceGroup:Pm-3m,id:mp-769926}
RD_002862245411_000 Reference Data From Materials Project: {formula:Ta2SnO7,spaceGroup:C2/c,id:mp-27553}
RD_002878695517_000 Reference Data From Materials Project: {formula:Ca2Ru2O7,spaceGroup:Fd-3m,id:mp-554638}
RD_002909995885_000 Reference Data From Materials Project: {formula:TmRh2,spaceGroup:Fd-3m,id:mp-30865}
RD_002910797759_000 Reference Data From Materials Project: {formula:Mn4C15S4O15,spaceGroup:P2_1/c,id:mp-704101}
RD_002911912033_000 Reference Data From Materials Project: {formula:Li2VOF4,spaceGroup:P2_12_12_1,id:mp-766764}
RD_002914674196_000 Reference Data From Materials Project: {formula:CsSmSiS4,spaceGroup:P2_12_12_1,id:mp-561635}
RD_002953486724_000 Reference Data From Materials Project: {formula:TiSiRu2,spaceGroup:Fm-3m,id:mp-865681}
RD_002973543965_000 Reference Data From Materials Project: {formula:LiMnOF2,spaceGroup:Pn2n,id:mp-765037}
RD_003006976555_000 Reference Data From Materials Project: {formula:LiMnF3,spaceGroup:R-3c,id:mp-762903}
RD_003022804289_000 Reference Data From Materials Project: {formula:Na10CaSn12,spaceGroup:I-43m,id:mp-30252}
RD_003027838233_000 Reference Data From Materials Project: {formula:Ta21Te13,spaceGroup:P6mm,id:mp-680343}
RD_003033034758_000 Reference Data From Materials Project: {formula:V5CuO12,spaceGroup:C2,id:mp-777235}
RD_003034049381_000 Reference Data From Materials Project: {formula:Li2Fe(PO3)4,spaceGroup:C2/c,id:mp-31817}
RD_003034191671_000 Reference Data From Materials Project: {formula:V2CuO6,spaceGroup:P-1,id:mp-741706}
RD_003047352851_000 Reference Data From Materials Project: {formula:In2Se,spaceGroup:Pmnn,id:mp-627397}
RD_003067805137_000 Reference Data From Materials Project: {formula:Y2AgIr,spaceGroup:Fm-3m,id:mp-866160}
RD_003093772529_000 Reference Data From Materials Project: {formula:Sm13Cd58,spaceGroup:P6_3/mmc,id:mp-582240}
RD_003119119098_000 Reference Data From Materials Project: {formula:Mn12O5F19,spaceGroup:P1,id:mp-763233}
RD_003131786006_000 Reference Data From Materials Project: {formula:V2OF5,spaceGroup:C2,id:mp-777328}
RD_003149302843_000 Reference Data From Materials Project: {formula:Li3In2(PO4)3,spaceGroup:R-3,id:mp-6425}
RD_003150260207_000 Reference Data From Materials Project: {formula:Li3V4(OF3)3,spaceGroup:P1,id:mp-779822}
RD_003159408183_000 Reference Data From Materials Project: {formula:Cu4Te5(ClO3)4,spaceGroup:P4/n,id:mp-558364}
RD_003195876352_000 Reference Data From Materials Project: {formula:Na5Ni2P2(CO7)2,spaceGroup:P1,id:mp-769459}
RD_003213221617_000 Reference Data From Materials Project: {formula:CrP4,spaceGroup:C2/c,id:mp-7302}
RD_003226250701_000 Reference Data From Materials Project: {formula:ZnH18Ru2Br7N6,spaceGroup:P2_1/m,id:mp-707342}
RD_003248531568_000 Reference Data From Materials Project: {formula:Li3Fe5O12,spaceGroup:P1,id:mp-763871}
RD_003255986103_000 Reference Data From Materials Project: {formula:BaTi7O14,spaceGroup:P-1,id:mp-757266}
RD_003264330660_000 Reference Data From Materials Project: {formula:CeBi,spaceGroup:Fm-3m,id:mp-23285}
RD_003269611647_000 Reference Data From Materials Project: {formula:Li2(NiO2)3,spaceGroup:P-1,id:mp-762915}
RD_003282360004_000 Reference Data From Materials Project: {formula:MoP4C5S3O5,spaceGroup:P2_1/c,id:mp-643086}
RD_003301208724_000 Reference Data From Materials Project: {formula:Pr2O3,spaceGroup:Ia3,id:mp-16705}
RD_003327303293_000 Reference Data From Materials Project: {formula:CaHoRh2,spaceGroup:Fm-3m,id:mp-866283}
RD_003331353944_000 Reference Data From Materials Project: {formula:C2IO,spaceGroup:P4_32_12,id:mp-652200}
RD_003336517404_000 Reference Data From Materials Project: {formula:UTa2O8,spaceGroup:P-31m,id:mp-27862}
RD_003361044740_000 Reference Data From Materials Project: {formula:Rb9Fe2Se7,spaceGroup:P2_13,id:mp-14892}
RD_003368091713_000 Reference Data From Materials Project: {formula:NaZr2(AsO4)3,spaceGroup:R-3c,id:mp-553912}
RD_003370055136_000 Reference Data From Materials Project: {formula:MgSn4Ru,spaceGroup:I4/mcm,id:mp-20202}
RD_003385662304_000 Reference Data From Materials Project: {formula:CoO2,spaceGroup:Cm2e,id:mp-849598}
RD_003388661606_000 Reference Data From Materials Project: {formula:Fe10O11F9,spaceGroup:Pm,id:mp-779094}
RD_003424744632_000 Reference Data From Materials Project: {formula:ZnH12N4(ClO4)2,spaceGroup:F-43m,id:mp-23998}
RD_003426299960_000 Reference Data From Materials Project: {formula:Li2Mn(SiO3)2,spaceGroup:C2/c,id:mp-767686}
RD_003429335967_000 Reference Data From Materials Project: {formula:LiCo2P3O10,spaceGroup:P2_1/m,id:mp-25660}
RD_003453968666_000 Reference Data From Materials Project: {formula:Ba2UMnO6,spaceGroup:Fm-3m,id:mp-25003}
RD_003470555776_000 Reference Data From Materials Project: {formula:Li3MnF7,spaceGroup:R3m,id:mp-765198}
RD_003473435259_000 Reference Data From Materials Project: {formula:Li9Mn7(PO4)12,spaceGroup:P1,id:mp-778041}
RD_003493449027_000 Reference Data From Materials Project: {formula:Ho2SiSeO4,spaceGroup:Pbcm,id:mp-18584}
RD_003518013980_000 Reference Data From Materials Project: {formula:LiV4OF11,spaceGroup:P1,id:mp-777196}
RD_003520649587_000 Reference Data From Materials Project: {formula:Li6V2C4SO16,spaceGroup:Fd3,id:mp-777141}
RD_003523206863_000 Reference Data From Materials Project: {formula:Li5MnO4,spaceGroup:Cc2e,id:mp-775467}
RD_003530890162_000 Reference Data From Materials Project: {formula:LaTm(Ge2Ir)2,spaceGroup:Immm,id:mp-16965}
RD_003558190668_000 Reference Data From Materials Project: {formula:Li5(CoO3)2,spaceGroup:P1,id:mp-763696}
RD_003559773592_000 Reference Data From Materials Project: {formula:Al12Re,spaceGroup:Im3,id:mp-1648}
RD_003562971396_000 Reference Data From Materials Project: {formula:Li3Cu3(PO4)2,spaceGroup:P1,id:mp-754308}
RD_003565568501_000 Reference Data From Materials Project: {formula:LaFe12O19,spaceGroup:Ccmm,id:mp-642036}
RD_003582143216_000 Reference Data From Materials Project: {formula:Ba2TmNbO6,spaceGroup:Fm-3m,id:mp-12642}
RD_003584178122_000 Reference Data From Materials Project: {formula:Na2TlSb,spaceGroup:Fm-3m,id:mp-866132}
RD_003610132953_000 Reference Data From Materials Project: {formula:V2S2O11,spaceGroup:P2_1/c,id:mp-504870}
RD_003610949526_000 Reference Data From Materials Project: {formula:Sr2CuF6,spaceGroup:P-4b2,id:mp-540812}
RD_003635718234_000 Reference Data From Materials Project: {formula:HoAsO4,spaceGroup:P2_1/c,id:mp-777787}
RD_003646976943_000 Reference Data From Materials Project: {formula:Pb2O3,spaceGroup:Pm2_1n,id:mp-754071}
RD_003647145737_000 Reference Data From Materials Project: {formula:Pu2Mg,spaceGroup:Fm-3m,id:mp-21152}
RD_003685631634_000 Reference Data From Materials Project: {formula:PrB2Rh2C,spaceGroup:I4/mmm,id:mp-568924}
RD_003713837322_000 Reference Data From Materials Project: {formula:Ca,spaceGroup:Pm-3m,id:mp-10683}
RD_003717120276_000 Reference Data From Materials Project: {formula:LaCuSn,spaceGroup:P6_3/mmc,id:mp-20024}
RD_003726214838_000 Reference Data From Materials Project: {formula:La2MoO6,spaceGroup:P2_1/c,id:mp-25581}
RD_003769641588_000 Reference Data From Materials Project: {formula:Na3Ga3(TeO6)2,spaceGroup:Ia-3d,id:mp-556143}
RD_003797872422_000 Reference Data From Materials Project: {formula:PtI4,spaceGroup:Pbca,id:mp-669496}
RD_003815169846_000 Reference Data From Materials Project: {formula:Sc2Al,spaceGroup:P6_3/mmc,id:mp-11220}
RD_003818983087_000 Reference Data From Materials Project: {formula:CoF3,spaceGroup:Pm-3m,id:mp-559435}
RD_003824011132_000 Reference Data From Materials Project: {formula:Ta5Ga3,spaceGroup:P6_3/mcm,id:mp-30668}
RD_003828059942_000 Reference Data From Materials Project: {formula:SrCuH4(CO2)4,spaceGroup:P2/c,id:mp-600520}
RD_003830130297_000 Reference Data From Materials Project: {formula:Nd(FeGe)2,spaceGroup:I4/mmm,id:mp-20785}
RD_003834488667_000 Reference Data From Materials Project: {formula:Na2CrAsCO7,spaceGroup:P2_1/m,id:mp-771511}
RD_003874813810_000 Reference Data From Materials Project: {formula:Li2Mn3ZnO8,spaceGroup:P2_13,id:mp-704943}
RD_003876511961_000 Reference Data From Materials Project: {formula:BaLa2Cl8,spaceGroup:C2/m,id:mp-771973}
RD_003879553410_000 Reference Data From Materials Project: {formula:LiVBO3,spaceGroup:P-6,id:mp-769817}
RD_003887982984_000 Reference Data From Materials Project: {formula:B4C,spaceGroup:R-3m,id:mp-696746}
RD_003896467133_000 Reference Data From Materials Project: {formula:Na6NiO4,spaceGroup:P4_2/nmc,id:mp-763977}
RD_003925423483_000 Reference Data From Materials Project: {formula:SbN3(O3F)3,spaceGroup:Cmc2_1,id:mp-769338}
RD_003931483108_000 Reference Data From Materials Project: {formula:Ho(SiPt)2,spaceGroup:P4/nmm,id:mp-16377}
RD_003972473941_000 Reference Data From Materials Project: {formula:USbTe,spaceGroup:P4/nmm,id:mp-7935}
RD_003987768802_000 Reference Data From Materials Project: {formula:Li10Mn5Fe3O16,spaceGroup:P1,id:mp-765033}
RD_003996710185_000 Reference Data From Materials Project: {formula:LuNi5,spaceGroup:P6/mmm,id:mp-11491}
RD_004018856157_000 Reference Data From Materials Project: {formula:Ag2O,spaceGroup:P-3m1,id:mp-7711}
RD_004021200524_000 Experimental data collected from reference material at the University of Minnesota.
RD_004047913976_000 Reference Data From Materials Project: {formula:NdB6,spaceGroup:Pm-3m,id:mp-1929}
RD_004052075998_000 Reference Data From Materials Project: {formula:Rb2RhF6,spaceGroup:P-3m1,id:mp-22214}
RD_004059637869_000 Reference Data From Materials Project: {formula:PrNiSn,spaceGroup:P-62m,id:mp-22376}
RD_004065962086_000 Reference Data From Materials Project: {formula:Cu,spaceGroup:Fm-3m,id:mp-30}
RD_004068687783_000 Reference Data From Materials Project: {formula:Cs2TlVF6,spaceGroup:Fm-3m,id:mp-557533}
RD_004071442355_000 Reference Data From Materials Project: {formula:RbUN3O11,spaceGroup:R-3c,id:mp-6330}
RD_004105917129_000 Reference Data From Materials Project: {formula:GdCuGe,spaceGroup:P6_3mc,id:mp-13212}
RD_004108963216_000 Reference Data From Materials Project: {formula:Nb5Sb4,spaceGroup:I4/m,id:mp-274}
RD_004115282505_000 Reference Data From Materials Project: {formula:EuZnSn,spaceGroup:Pmnb,id:mp-11040}
RD_004157834798_000 Reference Data From Materials Project: {formula:Ba2YIrO6,spaceGroup:Fm-3m,id:mp-15888}
RD_004163235328_000 Reference Data From Materials Project: {formula:LiSnPO4,spaceGroup:P31c,id:mp-26725}
RD_004183151224_000 Reference Data From Materials Project: {formula:NiSn2H12(OF)6,spaceGroup:P-1,id:mp-735541}
RD_004183222229_000 Reference Data From Materials Project: {formula:CSe2S2N2(OF)3,spaceGroup:P2_1/c,id:mp-555329}
RD_004185803441_000 Reference Data From Materials Project: {formula:C,spaceGroup:P6/mmm,id:mp-568806}
RD_004198247575_000 Reference Data From Materials Project: {formula:Li2Co3SnO8,spaceGroup:P4_332,id:mp-762214}
RD_004249728889_000 Reference Data From Materials Project: {formula:Zn3(AsO4)2,spaceGroup:P2_1/c,id:mp-15483}
RD_004283165316_000 Reference Data From Materials Project: {formula:HfGaCo2,spaceGroup:Fm-3m,id:mp-3576}
RD_004290722042_000 Reference Data From Materials Project: {formula:NdH12S2NO12,spaceGroup:P2_1/c,id:mp-605694}
RD_004298718550_000 Reference Data From Materials Project: {formula:CaRh2,spaceGroup:Fd-3m,id:mp-571262}
RD_004307041044_000 Reference Data From Materials Project: {formula:Ag4Te(NO3)2,spaceGroup:P2_13,id:mp-618375}
RD_004328341062_000 Reference Data From Materials Project: {formula:EuH3Pd,spaceGroup:Pm-3m,id:mp-644246}
RD_004399064003_000 Reference Data From Materials Project: {formula:TbNiSn,spaceGroup:Pmnb,id:mp-22299}
RD_004429814673_000 Reference Data From Materials Project: {formula:Zn(AuF4)2,spaceGroup:P2_1/c,id:mp-17512}
RD_004439537909_000 Reference Data From Materials Project: {formula:H9CSO7F3,spaceGroup:P2_1/c,id:mp-720860}
RD_004441164441_000 Reference Data From Materials Project: {formula:LiNi(PO3)3,spaceGroup:P-6c2,id:mp-868442}
RD_004475287450_000 Reference Data From Materials Project: {formula:CsBeF3,spaceGroup:Pnma,id:mp-12262}
RD_004475304627_000 Reference Data From Materials Project: {formula:Sr(MnSb)2,spaceGroup:P-3m1,id:mp-2968}
RD_004475928917_000 Reference Data From Materials Project: {formula:TiBe2Ir,spaceGroup:Fm-3m,id:mp-866139}
RD_004485806969_000 Reference Data From Materials Project: {formula:ScBIr3,spaceGroup:Pm-3m,id:mp-10113}
RD_004497902485_000 Reference Data From Materials Project: {formula:Sr2CoCO3F5,spaceGroup:P2_1/c,id:mp-775735}
RD_004500800270_000 Reference Data From Materials Project: {formula:NiMoP,spaceGroup:P-62m,id:mp-7632}
RD_004548087981_000 Reference Data From Materials Project: {formula:TbMgHg2,spaceGroup:Fm-3m,id:mp-867234}
RD_004596475513_000 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_066954718002_000 and TriclinicPBCEnergyAndForces_diamond_8atom_Si__TE_066954718002_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_004610536019_000 Reference Data From Materials Project: {formula:Cr4Cu3Te8,spaceGroup:Imm2,id:mp-675546}
RD_004612856705_000 Reference Data From Materials Project: {formula:Pr2S3,spaceGroup:I-42d,id:mp-32692}
RD_004623226798_000 Reference Data From Materials Project: {formula:LiNbFeO4,spaceGroup:P4_322,id:mp-771803}
RD_004630106631_000 Reference Data From Materials Project: {formula:Li2MnF4,spaceGroup:Pna2_1,id:mp-763088}
RD_004630641199_000 Reference Data From Materials Project: {formula:Cu(BiO2)2,spaceGroup:P4/ncc,id:mp-505042}
RD_004632570595_000 Reference Data From Materials Project: {formula:Li(MoO2)2,spaceGroup:Imcm,id:mp-636380}
RD_004647628835_000 Reference Data From Materials Project: {formula:MnZnO3,spaceGroup:Pnma,id:mp-772528}
RD_004661538242_000 Reference Data From Materials Project: {formula:Ti3AlN,spaceGroup:Pm-3m,id:mp-10675}
RD_004668221009_000 Reference Data From Materials Project: {formula:CsNiCl3,spaceGroup:P6_3/mmc,id:mp-22950}
RD_004693096172_000 Reference Data From Materials Project: {formula:TiAlCu2,spaceGroup:Fm-3m,id:mp-4771}
RD_004693678503_000 Reference Data From Materials Project: {formula:CaH12(IO6)2,spaceGroup:F2dd,id:mp-758253}
RD_004696173348_000 Reference Data From Materials Project: {formula:V2CrFe,spaceGroup:Fm-3m,id:mp-865490}
RD_004700127617_000 Reference Data From Materials Project: {formula:TaSbO4,spaceGroup:Pnan,id:mp-647226}
RD_004708018241_000 Reference Data From Materials Project: {formula:K2Be(Si2O5)2,spaceGroup:P2_1/c,id:mp-557802}
RD_004726883998_000 Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:Pm-3m,id:mp-504715}
RD_004746978253_000 Reference Data From Materials Project: {formula:LiVF5,spaceGroup:Pn2_1a,id:mp-767672}
RD_004760770954_000 Reference Data From Materials Project: {formula:Be4Si2H2O9,spaceGroup:Cmc2_1,id:mp-707304}
RD_004803403596_000 Reference Data From Materials Project: {formula:NdSi2Rh3,spaceGroup:P6/mmm,id:mp-29742}
RD_004810430194_000 Reference Data From Materials Project: {formula:Ba2SrUO6,spaceGroup:P2_1/c,id:mp-14552}
RD_004813213344_000 Reference Data From Materials Project: {formula:NbCu(PO4)2,spaceGroup:P2_1/m,id:mp-774802}
RD_004824272982_000 Reference Data From Materials Project: {formula:CeSiIr,spaceGroup:P2_13,id:mp-21441}
RD_004831257249_000 Reference Data From Materials Project: {formula:CrFe2O5,spaceGroup:C2/c,id:mp-769927}
RD_004839216800_000 Reference Data From Materials Project: {formula:LaCuTeO,spaceGroup:P4/nmm,id:mp-546790}
RD_004870590420_000 Reference Data From Materials Project: {formula:Cs4Sn23,spaceGroup:Pm-3n,id:mp-2496}
RD_004898837392_000 Reference Data From Materials Project: {formula:PmAl3,spaceGroup:P6_3/mmc,id:mp-862980}
RD_004918467874_000 Reference Data From Materials Project: {formula:V8C7,spaceGroup:P4_332,id:mp-542730}
RD_004920925059_000 Reference Data From Materials Project: {formula:LiCu2P,spaceGroup:P-3m1,id:mp-22716}
RD_004928876195_000 Reference Data From Materials Project: {formula:Ca2Sb2S5,spaceGroup:P2_1/c,id:mp-29284}
RD_004935788934_000 Reference Data From Materials Project: {formula:Co(BiO3)2,spaceGroup:P4_2/mnm,id:mp-769756}
RD_004943769038_000 Reference Data From Materials Project: {formula:Yb4Mn2Sn5,spaceGroup:C2/m,id:mp-567248}
RD_004951726842_000 Reference Data From Materials Project: {formula:KCa2Be2Al(Si2O5)6,spaceGroup:Ccc2,id:mp-693620}
RD_004960466473_000 Reference Data From Materials Project: {formula:TaO2,spaceGroup:I4_1/a,id:mp-510}
RD_004975584388_000 Reference Data From Materials Project: {formula:Ba3WO6,spaceGroup:P1,id:mp-697853}
RD_004976191961_000 Reference Data From Materials Project: {formula:PbCN2,spaceGroup:Pmnb,id:mp-19727}
RD_004995630761_000 Reference Data From Materials Project: {formula:LaPb6BrO7,spaceGroup:Ccmm,id:mp-560665}
RD_005020329468_000 Reference Data From Materials Project: {formula:Sr4Ru3O10,spaceGroup:Ccme,id:mp-680680}
RD_005022550115_000 Reference Data From Materials Project: {formula:Na2SiBiCO7,spaceGroup:P2_1/m,id:mp-771168}
RD_005031943954_000 Reference Data From Materials Project: {formula:Li7NiOF7,spaceGroup:Cm,id:mp-766721}
RD_005044761690_000 Reference Data From Materials Project: {formula:CsK2CoO2,spaceGroup:I4/mmm,id:mp-554962}
RD_005057914788_000 Reference Data From Materials Project: {formula:MnOF,spaceGroup:Pm,id:mp-779958}
RD_005089908206_000 Reference Data From Materials Project: {formula:NiCN2,spaceGroup:P6_3/mmc,id:mp-567262}
RD_005092627236_000 Reference Data From Materials Project: {formula:Dy2Ge2O7,spaceGroup:Fd-3m,id:mp-754646}
RD_005097200336_000 Reference Data From Materials Project: {formula:Nd4Os6O19,spaceGroup:I23,id:mp-541640}
RD_005101070313_000 Reference Data From Materials Project: {formula:LiAlSi2H2O7,spaceGroup:P1,id:mp-24104}
RD_005102048954_000 Reference Data From Materials Project: {formula:Sr(H8O5)2,spaceGroup:P1,id:mp-626271}
RD_005108076044_000 Reference Data From Materials Project: {formula:K3(FeS2)2,spaceGroup:Pnma,id:mp-541447}
RD_005128787566_000 Reference Data From Materials Project: {formula:K3Na4Si3BF22,spaceGroup:Im2m,id:mp-581403}
RD_005156380613_000 Reference Data From Materials Project: {formula:Rb4CO4,spaceGroup:P2_1,id:mp-556527}
RD_005159003804_000 Reference Data From Materials Project: {formula:CsAg3Se2,spaceGroup:C2/m,id:mp-16234}
RD_005183635852_000 Reference Data From Materials Project: {formula:ZnO,spaceGroup:Pm-3m,id:mp-13161}
RD_005196868914_000 Reference Data From Materials Project: {formula:LiVCrP2(O4F)2,spaceGroup:P1,id:mp-868574}
RD_005198418673_000 Reference Data From Materials Project: {formula:NbCu3Se4,spaceGroup:P-43m,id:mp-4043}
RD_005203214389_000 Reference Data From Materials Project: {formula:Mo2(PO4)3,spaceGroup:P-1,id:mp-32094}
RD_005205438812_000 Reference Data From Materials Project: {formula:CrIr3,spaceGroup:Pm-3m,id:mp-12083}
RD_005221857857_000 Reference Data From Materials Project: {formula:FeS4N4Cl3,spaceGroup:P2_1/c,id:mp-557085}
RD_005226647375_000 Reference Data From Materials Project: {formula:Y7C3I6O,spaceGroup:Pmcm,id:mp-554027}
RD_005226974456_000 Reference Data From Materials Project: {formula:TlAuF6,spaceGroup:P4_12_12,id:mp-30308}
RD_005236924874_000 Reference Data From Materials Project: {formula:LiBi6B3O14,spaceGroup:P2_1/c,id:mp-778009}
RD_005237258980_000 Reference Data From Materials Project: {formula:Tb2CaO4,spaceGroup:Fd-3m,id:mp-755044}
RD_005245607262_000 Reference Data From Materials Project: {formula:Nd3S2Br5,spaceGroup:Pbnm,id:mp-28297}
RD_005246307384_000 Reference Data From Materials Project: {formula:YbCo(BO2)5,spaceGroup:P2_1/c,id:mp-651008}
RD_005251650311_000 Reference Data From Materials Project: {formula:Li4V3Co3(WO8)2,spaceGroup:Cm,id:mp-763152}
RD_005255398578_000 Reference Data From Materials Project: {formula:CdHgO2,spaceGroup:C2/m,id:mp-9146}
RD_005263008523_000 Reference Data From Materials Project: {formula:LiVF3,spaceGroup:C2/c,id:mp-777676}
RD_005277696404_000 Reference Data From Materials Project: {formula:Er2TiO5,spaceGroup:Pnam,id:mp-774567}
RD_005311572651_000 Reference Data From Materials Project: {formula:Pm2NiRu,spaceGroup:Fm-3m,id:mp-863717}
RD_005328542434_000 Reference Data From Materials Project: {formula:Tb5Sb3,spaceGroup:P6_3/mcm,id:mp-16230}
RD_005329947786_000 Reference Data From Materials Project: {formula:LiNbCuO4,spaceGroup:P4_322,id:mp-774473}
RD_005341348104_000 Reference Data From Materials Project: {formula:Ba3InRu2O9,spaceGroup:P6_3/mmc,id:mp-22352}
RD_005351982861_000 Reference Data From Materials Project: {formula:GaP(H2O3)2,spaceGroup:Pbca,id:mp-541857}
RD_005354019575_000 Reference Data From Materials Project: {formula:Th3Co3Sb4,spaceGroup:I-43d,id:mp-22708}
RD_005367465596_000 Reference Data From Materials Project: {formula:Sr4As2O,spaceGroup:I4/mmm,id:mp-8299}
RD_005374249650_000 Reference Data From Materials Project: {formula:LiZn2Pd,spaceGroup:Fm-3m,id:mp-867250}
RD_005382971985_000 Reference Data From Materials Project: {formula:TiCo2Sn,spaceGroup:Fm-3m,id:mp-21467}
RD_005404401621_000 Reference Data From Materials Project: {formula:Li5V3P8O29,spaceGroup:P1,id:mp-765084}
RD_005425056013_000 Reference Data From Materials Project: {formula:Ti,spaceGroup:Fm-3m,id:mp-6985}
RD_005431677413_000 Reference Data From Materials Project: {formula:Li2V(PO4)2,spaceGroup:P-3,id:mp-763559}
RD_005442481932_000 Reference Data From Materials Project: {formula:Er2Zr2O7,spaceGroup:Fd-3m,id:mp-756545}
RD_005445116316_000 Reference Data From Materials Project: {formula:Li7Mn5O12,spaceGroup:C2,id:mp-771616}
RD_005454579040_000 Reference Data From Materials Project: {formula:Nd2WO6,spaceGroup:P2_12_12_1,id:mp-25180}
RD_005504334311_000 Reference Data From Materials Project: {formula:MoH12N3O5F3,spaceGroup:P2_12_12_1,id:mp-743954}
RD_005518722347_000 Reference Data From Materials Project: {formula:Na6Fe2B4AsO16,spaceGroup:Fd3,id:mp-770768}
RD_005521514605_000 Reference Data From Materials Project: {formula:Sr3AlO4F,spaceGroup:I4/mcm,id:mp-15736}
RD_005527365869_000 Reference Data From Materials Project: {formula:Rb2Hg(CN)4,spaceGroup:R-3c,id:mp-619486}
RD_005533772743_000 Reference Data From Materials Project: {formula:Ta2CrNO5,spaceGroup:Pc,id:mp-849938}
RD_005534908271_000 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_648378160617_000 and ClusterEnergyAndForces_4atom_Si__TE_648378160617_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_005540434581_000 Reference Data From Materials Project: {formula:HoCuPbSe3,spaceGroup:Pmnb,id:mp-6244}
RD_005557514720_000 Reference Data From Materials Project: {formula:Si(Bi3O5)4,spaceGroup:I23,id:mp-23492}
RD_005614731190_000 Reference Data From Materials Project: {formula:LiBi2(SO4)3,spaceGroup:R-3c,id:mp-759534}
RD_005628252229_000 Reference Data From Materials Project: {formula:ReCl4,spaceGroup:P2/c,id:mp-27340}
RD_005637358361_000 Reference Data From Materials Project: {formula:Mn3ZnC,spaceGroup:Pm-3m,id:mp-672229}
RD_005657118686_000 Reference Data From Materials Project: {formula:Rb2CrCl4,spaceGroup:I4/mmm,id:mp-570910}
RD_005678274591_000 Reference Data From Materials Project: {formula:ScInAg2,spaceGroup:Fm-3m,id:mp-30347}
RD_005705617954_000 Reference Data From Materials Project: {formula:MgV2O6,spaceGroup:C2/m,id:mp-504510}
RD_005712142648_000 Experimental data collected from reference material at the University of Minnesota.
RD_005726908828_000 Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:P2_1/c,id:mp-768736}
RD_005730437034_000 Reference Data From Materials Project: {formula:NaLiCu(PO3)3,spaceGroup:P2_12_12_1,id:mp-775900}
RD_005731400743_000 Reference Data From Materials Project: {formula:Lu2CCl2,spaceGroup:R-3m,id:mp-573376}
RD_005739314486_000 Reference Data From Materials Project: {formula:TbNbO4,spaceGroup:P2_1/c,id:mp-756852}
RD_005747941126_000 Reference Data From Materials Project: {formula:CoSe2,spaceGroup:Pa3,id:mp-22309}
RD_005755915721_000 Reference Data From Materials Project: {formula:ZrNiGe,spaceGroup:F-43m,id:mp-961662}
RD_005769040488_000 Reference Data From Materials Project: {formula:Li(SiNi)6,spaceGroup:P6/mmm,id:mp-15950}
RD_005785483288_000 Reference Data From Materials Project: {formula:Pr2InGe2,spaceGroup:P4/mbm,id:mp-20715}
RD_005788590318_000 Reference Data From Materials Project: {formula:NbFeSb,spaceGroup:F-43m,id:mp-9437}
RD_005791953218_000 Reference Data From Materials Project: {formula:Mg6Ni16Ge7,spaceGroup:Fm-3m,id:mp-21725}
RD_005808233355_000 Reference Data From Materials Project: {formula:K6Si2CuO8,spaceGroup:P-1,id:mp-560675}
RD_005814721139_000 Reference Data From Materials Project: {formula:PtCl3,spaceGroup:R-3,id:mp-31134}
RD_005847819890_000 Reference Data From Materials Project: {formula:ScHO2,spaceGroup:P6_3/mmc,id:mp-755318}
RD_005853176927_000 Reference Data From Materials Project: {formula:LiFePO4,spaceGroup:C2/c,id:mp-761464}
RD_005860764053_000 Reference Data From Materials Project: {formula:BeO,spaceGroup:Fm-3m,id:mp-1794}
RD_005874056474_000 Reference Data From Materials Project: {formula:MnGaIr2,spaceGroup:Fm-3m,id:mp-865088}
RD_005891658704_000 Reference Data From Materials Project: {formula:Cr3HO8,spaceGroup:P2_1/m,id:mp-602355}
RD_005926850382_000 Reference Data From Materials Project: {formula:Ti5Nb2O14,spaceGroup:Cmmm,id:mp-758324}
RD_005935009292_000 Reference Data From Materials Project: {formula:CaNdZn2,spaceGroup:Fm-3m,id:mp-866220}
RD_005945856215_000 Reference Data From Materials Project: {formula:KErHSe2O9,spaceGroup:P-1,id:mp-722310}
RD_005945872528_000 Reference Data From Materials Project: {formula:Ca2In4Au3,spaceGroup:Pmcn,id:mp-630875}
RD_005967287148_000 Reference Data From Materials Project: {formula:SrH6C4O7,spaceGroup:C2/c,id:mp-690824}
RD_005980946279_000 Reference Data From Materials Project: {formula:Y3TaO7,spaceGroup:C222_1,id:mp-11321}
RD_006005228987_000 Reference Data From Materials Project: {formula:Li3V2(O2F)2,spaceGroup:C2/m,id:mp-764389}
RD_006051229762_000 Reference Data From Materials Project: {formula:Nb2Tl5S4Cl9,spaceGroup:Immm,id:mp-555900}
RD_006076179541_000 Reference Data From Materials Project: {formula:Fe2OF3,spaceGroup:C2,id:mp-763039}
RD_006088265849_000 Reference Data From Materials Project: {formula:Ce3(CuGe)4,spaceGroup:Immm,id:mp-22623}
RD_006093301276_000 Reference Data From Materials Project: {formula:La3MnAlS7,spaceGroup:P6_3,id:mp-866692}
RD_006094052100_000 Reference Data From Materials Project: {formula:Ba3NbFe3(SiO7)2,spaceGroup:P321,id:mp-565953}
RD_006108027766_000 Reference Data From Materials Project: {formula:LiAl2Ir,spaceGroup:Fm-3m,id:mp-11512}
RD_006111905725_000 Experimental data collected from reference material at the University of Minnesota. Original source needs to be checked to verify ensemble and error values.
RD_006115067962_000 Reference Data From Materials Project: {formula:Cr3O,spaceGroup:Pm-3n,id:mp-24897}
RD_006121627612_000 Reference Data From Materials Project: {formula:SrNbO3,spaceGroup:Pm-3m,id:mp-7006}
RD_006126277492_000 Reference Data From Materials Project: {formula:ErCuS2,spaceGroup:P2_12_12_1,id:mp-559826}
RD_006140277581_000 Reference Data From Materials Project: {formula:Zr2Fe,spaceGroup:Fd-3m,id:mp-17682}
RD_006141494775_000 Reference Data From Materials Project: {formula:K2Ge4O9,spaceGroup:P-3c1,id:mp-560875}
RD_006164265842_000 Reference Data From Materials Project: {formula:DyMnO3,spaceGroup:P6_3cm,id:mp-562154}
RD_006173113685_000 Reference Data From Materials Project: {formula:Lu2Ge2O7,spaceGroup:P4_12_12,id:mp-8346}
RD_006186609505_000 Reference Data From Materials Project: {formula:GaGeRu2,spaceGroup:Fm-3m,id:mp-865895}
RD_006189163361_000 Reference Data From Materials Project: {formula:PrInCu2,spaceGroup:Fm-3m,id:mp-21148}
RD_006190279334_000 Experimental data collected from reference material at the University of Minnesota. Only specified "high-pressure" form.
RD_006213157559_000 Reference Data From Materials Project: {formula:LiCuPO4,spaceGroup:P6_1,id:mp-759776}
RD_006224225288_000 Reference Data From Materials Project: {formula:H6SN2,spaceGroup:P2_1/c,id:mp-604209}
RD_006249647749_000 Reference Data From Materials Project: {formula:BaTm2F8,spaceGroup:C2/m,id:mp-7693}
RD_006253665308_000 Reference Data From Materials Project: {formula:HgH10N2Cl4O,spaceGroup:Pbam,id:mp-780171}
RD_006257873260_000 Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764453}
RD_006278636387_000 Reference Data From Materials Project: {formula:LiCdPO4,spaceGroup:Pcmn,id:mp-9018}
RD_006294611012_000 Reference Data From Materials Project: {formula:Na2V3O7,spaceGroup:P-3,id:mp-567133}
RD_006300426868_000 Reference Data From Materials Project: {formula:AlPO4,spaceGroup:P6_3mc,id:mp-545974}
RD_006303625273_000 Reference Data From Materials Project: {formula:Sb7Mo3,spaceGroup:Im-3m,id:mp-1521}
RD_006311978263_000 Reference Data From Materials Project: {formula:Lu2IrRh,spaceGroup:Fm-3m,id:mp-865623}
RD_006341341956_000 Reference Data From Materials Project: {formula:Sm3S4,spaceGroup:I-43d,id:mp-673636}
RD_006342624848_000 Reference Data From Materials Project: {formula:Sb16Te3,spaceGroup:R-3m,id:mp-640862}
RD_006349063173_000 Reference Data From Materials Project: {formula:Mn6O5F7,spaceGroup:P1,id:mp-849517}
RD_006356324017_000 Reference Data From Materials Project: {formula:ZrO2,spaceGroup:Pc2_1b,id:mp-556605}
RD_006360528946_000 Reference Data From Materials Project: {formula:Li2BSbO4,spaceGroup:P2_1/c,id:mp-770654}
RD_006363907226_000 Reference Data From Materials Project: {formula:Li6MnFe3(PO4)6,spaceGroup:P1,id:mp-771062}
RD_006374114533_000 Reference Data From Materials Project: {formula:Cr4OF11,spaceGroup:C2,id:mp-773764}
RD_006396173374_000 Reference Data From Materials Project: {formula:SINOF2,spaceGroup:P2_1/c,id:mp-561001}
RD_006405352074_000 Reference Data From Materials Project: {formula:ErU2S3O2,spaceGroup:I4/mmm,id:mp-552802}
RD_006416695327_000 Reference Data From Materials Project: {formula:Ba(SmTe2)2,spaceGroup:Pmnb,id:mp-17786}
RD_006438706636_000 Reference Data From Materials Project: {formula:K6Cd4Sn3Se13,spaceGroup:R3m,id:mp-6296}
RD_006453448619_000 Reference Data From Materials Project: {formula:K3ScSi2O7,spaceGroup:P6_3/mmc,id:mp-557577}
RD_006461019030_000 Reference Data From Materials Project: {formula:Li2MnOF3,spaceGroup:C2/m,id:mp-766805}
RD_006482465793_000 Reference Data From Materials Project: {formula:ScFeO3,spaceGroup:P6_3/mmc,id:mp-769970}
RD_006507517002_000 Reference Data From Materials Project: {formula:Li2FePCO7,spaceGroup:P-1,id:mp-769972}
RD_006523257452_000 Reference Data From Materials Project: {formula:TlZnSClO4,spaceGroup:P2_1/c,id:mp-23146}
RD_006527490476_000 Reference Data From Materials Project: {formula:TiMn7(PO4)12,spaceGroup:P1,id:mp-778073}
RD_006569158945_000 Reference Data From Materials Project: {formula:V2Sb(PO4)3,spaceGroup:R-3c,id:mp-773573}
RD_006573401120_000 Reference Data From Materials Project: {formula:Zr7N2O11,spaceGroup:P1,id:mp-675751}
RD_006595318097_000 Reference Data From Materials Project: {formula:U2Mn12P7,spaceGroup:P-6,id:mp-17988}
RD_006605364684_000 Reference Data From Materials Project: {formula:KMo2Cl7O2,spaceGroup:C2/c,id:mp-565509}
RD_006607183467_000 Reference Data From Materials Project: {formula:Rb2O,spaceGroup:R-3m,id:mp-753746}
RD_006617111351_000 Reference Data From Materials Project: {formula:Li(YSi)2,spaceGroup:P4/mbm,id:mp-7350}
RD_006636892025_000 Reference Data From Materials Project: {formula:CaCu,spaceGroup:P2_1/m,id:mp-30471}
RD_006637997659_000 Reference Data From Materials Project: {formula:Si3Ru2,spaceGroup:P-4c2,id:mp-20191}
RD_006643237423_000 Reference Data From Materials Project: {formula:MgB2,spaceGroup:P6/mmm,id:mp-763}
RD_006692886099_000 Reference Data From Materials Project: {formula:Nd3S3N,spaceGroup:Pmnb,id:mp-554001}
RD_006696127725_000 Reference Data From Materials Project: {formula:Te8Ir3,spaceGroup:P-1,id:mp-32682}
RD_006720169482_000 Reference Data From Materials Project: {formula:LiMn2F6,spaceGroup:P321,id:mp-767252}
RD_006738205503_000 Reference Data From Materials Project: {formula:Nd23Cd4Rh7,spaceGroup:P6_3mc,id:mp-567916}
RD_006747870650_000 Reference Data From Materials Project: {formula:TiGeRu2,spaceGroup:Fm-3m,id:mp-865640}
RD_006764455439_000 Reference Data From Materials Project: {formula:Na2O2,spaceGroup:P-62m,id:mp-2340}
RD_006775061133_000 Reference Data From Materials Project: {formula:Na3Sr(BO2)5,spaceGroup:P-1,id:mp-6775}
RD_006803337041_000 Reference Data From Materials Project: {formula:TiSnPt,spaceGroup:F-43m,id:mp-30847}
RD_006808099226_000 Reference Data From Materials Project: {formula:Li2Co3NiO8,spaceGroup:P4_332,id:mp-762296}
RD_006810410989_000 Reference Data From Materials Project: {formula:SiPd3,spaceGroup:Pbnm,id:mp-20622}
RD_006832545474_000 Reference Data From Materials Project: {formula:PuGa3,spaceGroup:R-3m,id:mp-22327}
RD_006846137999_000 Reference Data From Materials Project: {formula:LiCo5O5F,spaceGroup:P3m1,id:mp-764225}
RD_006846584632_000 Reference Data From Materials Project: {formula:Gd3Y5O12,spaceGroup:P1,id:mp-757331}
RD_006852375659_000 Reference Data From Materials Project: {formula:UTl4C3O11,spaceGroup:C2/c,id:mp-18136}
RD_006857385341_000 Reference Data From Materials Project: {formula:P2O5,spaceGroup:P1,id:mp-689684}
RD_006858470875_000 Reference Data From Materials Project: {formula:HoB2C,spaceGroup:P4_2/mbc,id:mp-15603}
RD_006888590076_000 Reference Data From Materials Project: {formula:Zn8Cu5,spaceGroup:I-43m,id:mp-1368}
RD_006910171661_000 Reference Data From Materials Project: {formula:LiY2Os,spaceGroup:Fm-3m,id:mp-862719}
RD_006910670418_000 Reference Data From Materials Project: {formula:LiFeP3H8O13,spaceGroup:P-1,id:mp-853255}
RD_006916689352_000 Reference Data From Materials Project: {formula:TbLiO2,spaceGroup:Pmcn,id:mp-7137}
RD_006933675938_000 Reference Data From Materials Project: {formula:Ba2Sc2O5,spaceGroup:Pcmn,id:mp-770936}
RD_006947842085_000 Reference Data From Materials Project: {formula:Tl2Te3,spaceGroup:C2/c,id:mp-29711}
RD_006954177881_000 Reference Data From Materials Project: {formula:Sb2ClF17,spaceGroup:P2_1/c,id:mp-559349}
RD_006958534426_000 Reference Data From Materials Project: {formula:Ba(CdP)2,spaceGroup:P-3m1,id:mp-8279}
RD_006972926714_000 Reference Data From Materials Project: {formula:H4CSN2,spaceGroup:Pbnm,id:mp-23930}
RD_006980200349_000 Reference Data From Materials Project: {formula:Cr2(PO4)3,spaceGroup:R-3c,id:mp-540211}
RD_006988268705_000 Reference Data From Materials Project: {formula:BaSiO3,spaceGroup:P6_3/mmc,id:mp-18407}
RD_006994296540_000 Reference Data From Materials Project: {formula:MgTlAs(H6O5)2,spaceGroup:Pnm2_1,id:mp-556009}
RD_007024096205_000 Reference Data From Materials Project: {formula:VPbClO3,spaceGroup:Pmcn,id:mp-566304}
RD_007029786559_000 Reference Data From Materials Project: {formula:Al10V,spaceGroup:Fd-3m,id:mp-16722}
RD_007037358009_000 Reference Data From Materials Project: {formula:SrCrPd2,spaceGroup:F-43m,id:mp-631494}
RD_007041448181_000 Reference Data From Materials Project: {formula:TaH20C6N3Cl4,spaceGroup:P2_1/c,id:mp-571507}
RD_007062542662_000 Reference Data From Materials Project: {formula:Ba2BiRuO6,spaceGroup:P6_3/mmc,id:mp-561147}
RD_007066440876_000 Reference Data From Materials Project: {formula:Li3VCr3O8,spaceGroup:P1,id:mp-769583}
RD_007079145038_000 Reference Data From Materials Project: {formula:HgO,spaceGroup:Fm-3m,id:mp-545619}
RD_007093747232_000 Reference Data From Materials Project: {formula:La2Rh7,spaceGroup:P6_3/mmc,id:mp-568375}
RD_007115515133_000 Reference Data From Materials Project: {formula:Ca2RuO4,spaceGroup:Pbca,id:mp-21466}
RD_007189031868_000 Reference Data From Materials Project: {formula:NdZn(BO2)5,spaceGroup:P2_1/c,id:mp-15519}
RD_007193110873_000 Reference Data From Materials Project: {formula:BaLa4Cu5O12,spaceGroup:P4/m,id:mp-558557}
RD_007195564501_000 Reference Data From Materials Project: {formula:BH7N2,spaceGroup:Pbna,id:mp-27612}
RD_007211691751_000 Reference Data From Materials Project: {formula:Li9V3P8O29,spaceGroup:P1,id:mp-765422}
RD_007235464324_000 Reference Data From Materials Project: {formula:Ca2Ta2O6F,spaceGroup:Fd-3m,id:mp-14560}
RD_007261801073_000 Reference Data From Materials Project: {formula:Li2Pt,spaceGroup:P6/mmm,id:mp-2170}
RD_007266928737_000 Reference Data From Materials Project: {formula:Ti3O,spaceGroup:P6_3/mcm,id:mp-554032}
RD_007269282400_000 Reference Data From Materials Project: {formula:Li2MnO2F,spaceGroup:P1,id:mp-767044}
RD_007280376814_000 Reference Data From Materials Project: {formula:TiP2O7,spaceGroup:P2_1,id:mp-26630}
RD_007289039665_000 Reference Data From Materials Project: {formula:Gd3S3N,spaceGroup:Pmnb,id:mp-647096}
RD_007290574795_000 Experimental data collected from reference material at the University of Minnesota. Internal Reference: Inorganic Crystal Structure Database; Temp reported as Room Temp; Pressure assumed to be standard;
RD_007307543377_000 Reference Data From Materials Project: {formula:AlAs3(SeCl)4,spaceGroup:C2/c,id:mp-567734}
RD_007314664425_000 Reference Data From Materials Project: {formula:Cs3Rb,spaceGroup:P6_3/mmc,id:mp-862689}
RD_007316791875_000 Reference Data From Materials Project: {formula:La3AgGeS7,spaceGroup:P6_3,id:mp-617632}
RD_007346183473_000 Reference Data From Materials Project: {formula:AcCdRh2,spaceGroup:Fm-3m,id:mp-861880}
RD_007349845336_000 Reference Data From Materials Project: {formula:LaNiSb,spaceGroup:P6_3/mmc,id:mp-9235}
RD_007371167904_000 Reference Data From Materials Project: {formula:Li6Hf2O7,spaceGroup:P2_1/c,id:mp-770805}
RD_007380027044_000 Reference Data From Materials Project: {formula:NaH3SO5,spaceGroup:Cc,id:mp-696347}
RD_007380242016_000 Reference Data From Materials Project: {formula:Cr2AgBiO8,spaceGroup:I-4,id:mp-565669}
RD_007389270740_000 Reference Data From Materials Project: {formula:ZrH,spaceGroup:I-4m2,id:mp-632219}
RD_007408514443_000 Reference Data From Materials Project: {formula:B5H8NO12,spaceGroup:C2/c,id:mp-721584}
RD_007439961815_000 Reference Data From Materials Project: {formula:ZrSiCuP,spaceGroup:P4/nmm,id:mp-20588}
RD_007446596059_000 Reference Data From Materials Project: {formula:Li7Mn4O12,spaceGroup:P1,id:mp-764763}
RD_007448101636_000 Reference Data From Materials Project: {formula:NdAlO3,spaceGroup:Pm-3m,id:mp-14254}
RD_007460899689_000 Reference Data From Materials Project: {formula:Li,spaceGroup:P4_132,id:mp-604313}
RD_007466656068_000 Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-849410}
RD_007473213401_000 Reference Data From Materials Project: {formula:CaPt5,spaceGroup:P6/mmm,id:mp-30481}
RD_007480721532_000 Reference Data From Materials Project: {formula:Th(SiNi)2,spaceGroup:I4/mmm,id:mp-5682}
RD_007487015900_000 Reference Data From Materials Project: {formula:NaNbO2F,spaceGroup:Pbnm,id:mp-557590}
RD_007499975806_000 Reference Data From Materials Project: {formula:KMnRu,spaceGroup:F-43m,id:mp-631254}
RD_007504840626_000 Reference Data From Materials Project: {formula:Sc6Si11Ni18,spaceGroup:Immm,id:mp-570147}
RD_007520991798_000 Reference Data From Materials Project: {formula:KSrCO3F,spaceGroup:P-6m2,id:mp-865427}
RD_007533349300_000 Reference Data From Materials Project: {formula:V6F13,spaceGroup:P-1,id:mp-767323}
RD_007553446592_000 Reference Data From Materials Project: {formula:Li6Fe5WO12,spaceGroup:Cm,id:mp-764894}
RD_007556142183_000 Reference Data From Materials Project: {formula:SmCo3B2,spaceGroup:P6/mmm,id:mp-5410}
RD_007574475460_000 Reference Data From Materials Project: {formula:Yb2TlPb,spaceGroup:Fm-3m,id:mp-864741}
RD_007578923835_000 Reference Data From Materials Project: {formula:Te6MoBr3,spaceGroup:P-1,id:mp-622262}
RD_007582584779_000 Reference Data From Materials Project: {formula:Al(HO)3,spaceGroup:P1,id:mp-626502}
RD_007608843012_000 Reference Data From Materials Project: {formula:Mn9(FeO6)4,spaceGroup:Cm,id:mp-769622}
RD_007631198090_000 Reference Data From Materials Project: {formula:Tm5(Ge5Rh2)2,spaceGroup:P4/mbm,id:mp-21810}
RD_007637387566_000 Reference Data From Materials Project: {formula:FeB2,spaceGroup:P6/mmm,id:mp-569376}
RD_007652750716_000 Reference Data From Materials Project: {formula:FeIr3,spaceGroup:Pm-3m,id:mp-10596}
RD_007657533303_000 Reference Data From Materials Project: {formula:Nd(CoP)2,spaceGroup:I4/mmm,id:mp-5622}
RD_007659895544_000 Reference Data From Materials Project: {formula:HoMg2,spaceGroup:P6_3/mmc,id:mp-13499}
RD_007679471441_000 Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-850434}
RD_007680420961_000 Reference Data From Materials Project: {formula:SnO2,spaceGroup:Fm-3m,id:mp-12979}
RD_007690014982_000 Reference Data From Materials Project: {formula:FeP2O7,spaceGroup:P2_1,id:mp-25526}
RD_007735722386_000 Reference Data From Materials Project: {formula:La4Ti3O12,spaceGroup:R-3,id:mp-3249}
RD_007766685679_000 Reference Data From Materials Project: {formula:InTe,spaceGroup:Fm-3m,id:mp-2597}
RD_007787847093_000 Reference Data From Materials Project: {formula:VCdAgO4,spaceGroup:Pcmn,id:mp-562207}
RD_007792659036_000 Reference Data From Materials Project: {formula:Cd(FeO2)2,spaceGroup:P3m1,id:mp-705824}
RD_007795080747_000 Reference Data From Materials Project: {formula:LiNiP2O7,spaceGroup:C2/c,id:mp-32374}
RD_007807007361_000 Reference Data From Materials Project: {formula:MnSb3(PO4)4,spaceGroup:Pm,id:mp-774091}
RD_007842614926_000 Reference Data From Materials Project: {formula:USnPt,spaceGroup:F-43m,id:mp-30848}
RD_007853836431_000 Reference Data From Materials Project: {formula:Li2TiO3,spaceGroup:P-1,id:mp-760017}
RD_007877447877_000 Reference Data From Materials Project: {formula:BaCrP2O7,spaceGroup:P-1,id:mp-19110}
RD_007883590071_000 Reference Data From Materials Project: {formula:Ca3SiO5,spaceGroup:R3m,id:mp-554141}
RD_007887393528_000 Reference Data From Materials Project: {formula:Na4TiSe4,spaceGroup:C2/c,id:mp-505798}
RD_007896365846_000 Reference Data From Materials Project: {formula:UGePt,spaceGroup:Imm2,id:mp-22065}
RD_007897310920_000 Reference Data From Materials Project: {formula:RbClO4,spaceGroup:F-43m,id:mp-550759}
RD_007905305725_000 Reference Data From Materials Project: {formula:Li3V(BO3)2,spaceGroup:P-1,id:mp-868642}
RD_007915855016_000 Reference Data From Materials Project: {formula:Li2CdSiO4,spaceGroup:Pcmn,id:mp-557293}
RD_007915865632_000 Reference Data From Materials Project: {formula:HoPbAu,spaceGroup:F-43m,id:mp-30389}
RD_007928370729_000 Reference Data From Materials Project: {formula:TiH8C4NO10,spaceGroup:P6_422,id:mp-557562}
RD_007954218687_000 Reference Data From Materials Project: {formula:Sc(CoSi)2,spaceGroup:I4/mmm,id:mp-4131}
RD_007960378338_000 Reference Data From Materials Project: {formula:Sc2AgHg,spaceGroup:Fm-3m,id:mp-862702}
RD_007969655156_000 Reference Data From Materials Project: {formula:RbK2BiSe3,spaceGroup:P2_13,id:mp-621964}
RD_007970657427_000 Reference Data From Materials Project: {formula:Rb2SrP2O7,spaceGroup:C2/c,id:mp-14354}
RD_007975002903_000 Reference Data From Materials Project: {formula:Ti2Fe4O9,spaceGroup:P1,id:mp-691136}
RD_007984608673_000 Reference Data From Materials Project: {formula:SrMn2Si,spaceGroup:F-43m,id:mp-631376}
RD_007991198402_000 Reference Data From Materials Project: {formula:Sr5U5O18,spaceGroup:P-1,id:mp-675076}
RD_008007490149_000 Reference Data From Materials Project: {formula:Li4H6Ru,spaceGroup:R-3c,id:mp-642847}
RD_008018938700_000 Reference Data From Materials Project: {formula:MgV2(CuO4)2,spaceGroup:P2_1/c,id:mp-566620}
RD_008050801854_000 Reference Data From Materials Project: {formula:LiMnP2(HO4)2,spaceGroup:P22_12_1,id:mp-781687}
RD_008060385494_000 Reference Data From Materials Project: {formula:LaInHg2,spaceGroup:Fm-3m,id:mp-867979}
RD_008070217623_000 Reference Data From Materials Project: {formula:Li2B4H4O9,spaceGroup:P-1,id:mp-604459}
RD_008074406260_000 Reference Data From Materials Project: {formula:Sr2FeClO3,spaceGroup:P4/nmm,id:mp-630641}
RD_008094477195_000 Reference Data From Materials Project: {formula:CaF2,spaceGroup:Pmnb,id:mp-10464}
RD_008103032953_000 Reference Data From Materials Project: {formula:ErAl9(Fe2Si3)2,spaceGroup:P4_2/nmc,id:mp-569739}
RD_008113218677_000 Reference Data From Materials Project: {formula:KNaP2H2O7,spaceGroup:P-1,id:mp-504943}
RD_008156970208_000 Reference Data From Materials Project: {formula:BePH4NO4,spaceGroup:P2_1cn,id:mp-24473}
RD_008172830828_000 Reference Data From Materials Project: {formula:Li3RuO4,spaceGroup:P2/c,id:mp-37692}
RD_008176066925_000 Reference Data From Materials Project: {formula:Sr2IrO4,spaceGroup:P1,id:mp-677396}
RD_008179202376_000 Reference Data From Materials Project: {formula:Cr2Ag2O7,spaceGroup:P-1,id:mp-627414}
RD_008186037883_000 Reference Data From Materials Project: {formula:VPt,spaceGroup:P4/mmm,id:mp-2678}
RD_008189414580_000 Reference Data From Materials Project: {formula:Os3C10(BrO5)2,spaceGroup:Cc,id:mp-680415}
RD_008190994485_000 Reference Data From Materials Project: {formula:B4Rh5,spaceGroup:P6_3/mmc,id:mp-567926}
RD_008195998920_000 Reference Data From Materials Project: {formula:VPO5,spaceGroup:P2_1/c,id:mp-767483}
RD_008220215819_000 Reference Data From Materials Project: {formula:Rb2Cd(PSe3)2,spaceGroup:P2_1/c,id:mp-541897}
RD_008236529323_000 Reference Data From Materials Project: {formula:Eu2Zr2O7,spaceGroup:Fd-3m,id:mp-685944}
RD_008245740032_000 Reference Data From Materials Project: {formula:Cs2CrCl4,spaceGroup:I4/mmm,id:mp-28497}
RD_008251824203_000 Reference Data From Materials Project: {formula:Np,spaceGroup:Pmcn,id:mp-11534}
RD_008259736485_000 Reference Data From Materials Project: {formula:Nb2Tl5S4Br9,spaceGroup:Immm,id:mp-558099}
RD_008264471937_000 Reference Data From Materials Project: {formula:LaCoTe,spaceGroup:F-43m,id:mp-961695}
RD_008285466337_000 Reference Data From Materials Project: {formula:Ca3TlN,spaceGroup:Pm-3m,id:mp-10554}
RD_008295895993_000 Reference Data From Materials Project: {formula:Gd2TeO2,spaceGroup:I4/mmm,id:mp-16035}
RD_008297322485_000 Reference Data From Materials Project: {formula:Na4CuP6(H4O11)2,spaceGroup:P-1,id:mp-707247}
RD_008329773242_000 Reference Data From Materials Project: {formula:Li2FeP2O7,spaceGroup:P-42_1m,id:mp-765934}
RD_008334993855_000 Reference Data From Materials Project: {formula:SiO2,spaceGroup:Cmmm,id:mp-560998}
RD_008353025148_000 Reference Data From Materials Project: {formula:Tb,spaceGroup:Fm-3m,id:mp-7163}
RD_008361619588_000 Reference Data From Materials Project: {formula:AlPd,spaceGroup:P2_13,id:mp-7189}
RD_008369339404_000 Reference Data From Materials Project: {formula:Ti3Cr3(SbO8)2,spaceGroup:P1,id:mp-770891}
RD_008375264463_000 Reference Data From Materials Project: {formula:LiV5F11,spaceGroup:P2_1/c,id:mp-765380}
RD_008381545852_000 Reference Data From Materials Project: {formula:Na8TiO6,spaceGroup:P6_3cm,id:mp-764647}
RD_008398031087_000 Reference Data From Materials Project: {formula:Sb2Se3,spaceGroup:Pmcn,id:mp-672706}
RD_008418458517_000 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_850385542888_000 and ClusterEnergyAndForces_6atom_Si__TE_850385542888_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_008423244091_000 Reference Data From Materials Project: {formula:KSbO2,spaceGroup:C2/c,id:mp-10417}
RD_008424095183_000 Reference Data From Materials Project: {formula:Ge2Pt3,spaceGroup:Cmcm,id:mp-20576}
RD_008425786147_000 Reference Data From Materials Project: {formula:Na26Cd141,spaceGroup:P6/mmm,id:mp-680434}
RD_008437003860_000 Reference Data From Materials Project: {formula:SiO2,spaceGroup:Pm-3n,id:mp-639512}
RD_008443450058_000 Reference Data From Materials Project: {formula:K6CdO4,spaceGroup:P6_3mc,id:mp-17161}
RD_008463005570_000 Reference Data From Materials Project: {formula:NdMg2Cu9,spaceGroup:P6_3/mmc,id:mp-13221}
RD_008469057396_000 Reference Data From Materials Project: {formula:La5AgS8,spaceGroup:I-4,id:mp-37478}
RD_008473610939_000 Reference Data From Materials Project: {formula:ScCoTe,spaceGroup:F-43m,id:mp-961678}
RD_008477402426_000 Reference Data From Materials Project: {formula:SiO2,spaceGroup:P1,id:mp-557004}
RD_008498000107_000 Reference Data From Materials Project: {formula:V3Sb(PO4)4,spaceGroup:Pm,id:mp-774131}
RD_008518137507_000 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_632487195837_000 and ClusterEnergyAndForces_3atom_Si__TE_632487195837_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_008525604184_000 Reference Data From Materials Project: {formula:PbCl2,spaceGroup:P2_1/c,id:mp-619071}
RD_008536820430_000 Reference Data From Materials Project: {formula:Na3Bi,spaceGroup:P6_3/mmc,id:mp-27838}
RD_008538808623_000 Reference Data From Materials Project: {formula:ZrU9O20,spaceGroup:P-1,id:mp-766289}
RD_008541136939_000 Reference Data From Materials Project: {formula:LiNi2(PO4)2,spaceGroup:Pc,id:mp-768319}
RD_008547850196_000 Reference Data From Materials Project: {formula:CuPH6NO5,spaceGroup:P2_1/c,id:mp-733866}
RD_008564584393_000 Reference Data From Materials Project: {formula:LiMn2F7,spaceGroup:P2/c,id:mp-765384}
RD_008590652518_000 Reference Data From Materials Project: {formula:Li4Fe5Cu3O16,spaceGroup:Cm,id:mp-771929}
RD_008595597643_000 Reference Data From Materials Project: {formula:TbNiGe,spaceGroup:Pmnb,id:mp-21424}
RD_008623118374_000 Reference Data From Materials Project: {formula:ErRh,spaceGroup:Pm-3m,id:mp-2381}
RD_008627903651_000 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_471170872203_000 and ClusterEnergyAndForces_6atom_Si__TE_471170872203_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_008667896109_000 Reference Data From Materials Project: {formula:Rb3Sb,spaceGroup:P6_3/mmc,id:mp-16319}
RD_008677795446_000 Reference Data From Materials Project: {formula:TmIr,spaceGroup:Pm-3m,id:mp-11483}
RD_008679648064_000 Reference Data From Materials Project: {formula:NaTaO3,spaceGroup:Ccmm,id:mp-4699}
RD_008692483675_000 Reference Data From Materials Project: {formula:Eu,spaceGroup:Fm-3m,id:mp-623532}
RD_008706562958_000 Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-102) because the author said they use similar DFT input parameters as the items in the Materials Project. Vancancy Diffusion Properties from DFT Calculation: Co, fcc
RD_008758834961_000 Reference Data From Materials Project: {formula:YbNiB4,spaceGroup:Pmcb,id:mp-21181}
RD_008759522287_000 Reference Data From Materials Project: {formula:CsLiH4SO5,spaceGroup:Cm,id:mp-755891}
RD_008775818467_000 Reference Data From Materials Project: {formula:MgBeAl4O8,spaceGroup:P6_3mc,id:mp-554364}
RD_008780359367_000 Reference Data From Materials Project: {formula:LuInAu2,spaceGroup:Fm-3m,id:mp-30393}
RD_008787067850_000 Reference Data From Materials Project: {formula:NbSe2,spaceGroup:P-6m2,id:mp-643063}
RD_008801756228_000 Reference Data From Materials Project: {formula:BaCN2,spaceGroup:R-3c,id:mp-28898}
RD_008841302148_000 Reference Data From Materials Project: {formula:RbCuF3,spaceGroup:Pm-3m,id:mp-554601}
RD_008843431427_000 Reference Data From Materials Project: {formula:Sr2SnS3F2,spaceGroup:Pnam,id:mp-17676}
RD_008876287318_000 Reference Data From Materials Project: {formula:LiCo7O7F,spaceGroup:P3m1,id:mp-764039}
RD_008909534564_000 Reference Data From Materials Project: {formula:LiIn2Rh,spaceGroup:Fm-3m,id:mp-13396}
RD_008910261698_000 Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571593}
RD_008923688826_000 Reference Data From Materials Project: {formula:Na3AlP2,spaceGroup:Imcb,id:mp-5122}
RD_008930149672_000 Reference Data From Materials Project: {formula:Li2Mn3(SiO4)2,spaceGroup:P1,id:mp-850240}
RD_008932274660_000 Reference Data From Materials Project: {formula:Y3Se4,spaceGroup:C2/m,id:mp-32727}
RD_009008680875_000 Reference Data From Materials Project: {formula:CeMgGa,spaceGroup:P-62m,id:mp-21375}
RD_009031508016_000 Reference Data From Materials Project: {formula:Ba4Ge20Au3,spaceGroup:Pm-3n,id:mp-21839}
RD_009037160345_000 Reference Data From Materials Project: {formula:PtO2,spaceGroup:P-3m1,id:mp-617}
RD_009043207217_000 Reference Data From Materials Project: {formula:Mn3(OF2)2,spaceGroup:P4_2/mnm,id:mp-850148}
RD_009056026705_000 Reference Data From Materials Project: {formula:CsUCrO6,spaceGroup:P2_1/c,id:mp-697804}
RD_009056604373_000 Reference Data From Materials Project: {formula:Li4V2Co3Sn3O16,spaceGroup:Cm,id:mp-778338}
RD_009073043102_000 Reference Data From Materials Project: {formula:CsCeSiSe4,spaceGroup:P2_12_12_1,id:mp-573969}
RD_009085138910_000 Reference Data From Materials Project: {formula:Li3Mn4O8,spaceGroup:C2/m,id:mp-769728}
RD_009110230782_000 Reference Data From Materials Project: {formula:Li2NiP2O7,spaceGroup:C2/c,id:mp-585297}
RD_009112219965_000 Reference Data From Materials Project: {formula:Ti2Bi2O7,spaceGroup:Fd-3m,id:mp-559482}
RD_009123401781_000 Reference Data From Materials Project: {formula:Al2SiO5,spaceGroup:Cmcm,id:mp-9516}
RD_009142371833_000 Reference Data From Materials Project: {formula:LiCr4(PO4)3,spaceGroup:Pnma,id:mp-780337}
RD_009149812631_000 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_165463712608_000 and ClusterEnergyAndForces_6atom_Si__TE_165463712608_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_009153272626_000 Reference Data From Materials Project: {formula:ZnO,spaceGroup:Fm-3m,id:mp-2229}
RD_009153335086_000 Reference Data From Materials Project: {formula:CuSnRh2,spaceGroup:Fm-3m,id:mp-30595}
RD_009174551241_000 Reference Data From Materials Project: {formula:BeF2,spaceGroup:I-43m,id:mp-561543}
RD_009180864861_000 Reference Data From Materials Project: {formula:Cu2HgI4,spaceGroup:I-42m,id:mp-23353}
RD_009208292726_000 Reference Data From Materials Project: {formula:Dy(Ni2P)2,spaceGroup:P4_2/mnm,id:mp-866032}
RD_009224519654_000 Reference Data From Materials Project: {formula:Ba5(Ga3O7)2,spaceGroup:Cmc2_1,id:mp-771208}
RD_009240873060_000 Reference Data From Materials Project: {formula:FeSeBr7,spaceGroup:Pc,id:mp-607953}
RD_009255016051_000 Reference Data From Materials Project: {formula:Fe10O11F9,spaceGroup:P1,id:mp-773541}
RD_009265710777_000 Reference Data From Materials Project: {formula:KV(CuS2)2,spaceGroup:Cc2m,id:mp-6376}
RD_009285424251_000 Reference Data From Materials Project: {formula:ErTaO4,spaceGroup:C2/c,id:mp-5503}
RD_009297077484_000 Reference Data From Materials Project: {formula:Na4Co2O5,spaceGroup:P2_1/c,id:mp-779871}
RD_009315640634_000 Reference Data From Materials Project: {formula:SiO2,spaceGroup:C2,id:mp-556662}
RD_009324514707_000 Reference Data From Materials Project: {formula:Mn6OF11,spaceGroup:C2mm,id:mp-779244}
RD_009360310589_000 Reference Data From Materials Project: {formula:CsTiF4,spaceGroup:P4/nmm,id:mp-504701}
RD_009382964122_000 Reference Data From Materials Project: {formula:Mg(CoGe)6,spaceGroup:P6/mmm,id:mp-12398}
RD_009411003886_000 Reference Data From Materials Project: {formula:Li4B2O5,spaceGroup:C2/c,id:mp-768884}
RD_009424384841_000 Reference Data From Materials Project: {formula:Li6CoCl8,spaceGroup:Fm-3m,id:mp-505391}
RD_009451718620_000 Reference Data From Materials Project: {formula:Nd2Fe14B,spaceGroup:P4_2/mnm,id:mp-616958}
RD_009454922046_000 Reference Data From Materials Project: {formula:Lu2TeO6,spaceGroup:P4_2/mnm,id:mp-756389}
RD_009457114346_000 Reference Data From Materials Project: {formula:Nb3Co2Si,spaceGroup:Fd-3m,id:mp-505627}
RD_009482189613_000 Reference Data From Materials Project: {formula:Li3V3(PO4)4,spaceGroup:P1,id:mp-763523}
RD_009511465618_000 Reference Data From Materials Project: {formula:K3CO3F,spaceGroup:R-3c,id:mp-8773}
RD_009511547861_000 Reference Data From Materials Project: {formula:CoWO4,spaceGroup:P2/c,id:mp-19092}
RD_009543654382_000 Reference Data From Materials Project: {formula:Dy5Ti5O17,spaceGroup:Pmn2_1,id:mp-778274}
RD_009546554769_000 Reference Data From Materials Project: {formula:Sr5Ta4O15,spaceGroup:P-3m1,id:mp-769297}
RD_009551852420_000 Reference Data From Materials Project: {formula:TmSnAu,spaceGroup:P6_3mc,id:mp-16741}
RD_009561224502_000 Reference Data From Materials Project: {formula:LiMnPO4,spaceGroup:P6_3,id:mp-868420}
RD_009564302111_000 Reference Data From Materials Project: {formula:Gd2Zr2O7,spaceGroup:Pnmb,id:mp-35735}
RD_009564523740_000 Experimental data collected from reference material at the University of Minnesota.
RD_009577742404_000 Reference Data From Materials Project: {formula:Er3CrB7,spaceGroup:Cmcm,id:mp-14503}
RD_009579918559_000 Reference Data From Materials Project: {formula:TaPO5,spaceGroup:P2_1/m,id:mp-541740}
RD_009581727976_000 Reference Data From Materials Project: {formula:Li13(FeO6)2,spaceGroup:P1,id:mp-763678}
RD_009606606567_000 Reference Data From Materials Project: {formula:Yb2(ZnGe)3,spaceGroup:C2/m,id:mp-569434}
RD_009611148687_000 Reference Data From Materials Project: {formula:AlAgB,spaceGroup:F-43m,id:mp-631568}
RD_009637071783_000 Reference Data From Materials Project: {formula:Sc2AlSi2,spaceGroup:P4/mbm,id:mp-10676}
RD_009642483681_000 Reference Data From Materials Project: {formula:La7Ni3,spaceGroup:P6_3mc,id:mp-573855}
RD_009649419248_000 Reference Data From Materials Project: {formula:YBi,spaceGroup:Fm-3m,id:mp-23241}
RD_009659536478_000 Reference Data From Materials Project: {formula:Rb3AuO,spaceGroup:Pm-3m,id:mp-4405}
RD_009661435216_000 Reference Data From Materials Project: {formula:U2Fe2Sn,spaceGroup:P4/mbm,id:mp-21357}
RD_009668142089_000 Reference Data From Materials Project: {formula:NaSm(PS3)2,spaceGroup:P2_1/c,id:mp-561232}
RD_009675615217_000 Reference Data From Materials Project: {formula:KBiF4,spaceGroup:Fd-3m,id:mp-581857}
RD_009678156948_000 Reference Data From Materials Project: {formula:NdCoO3,spaceGroup:Pnam,id:mp-24882}
RD_009686474097_000 Reference Data From Materials Project: {formula:Dy2S3,spaceGroup:I-42d,id:mp-32826}
RD_009694642714_000 Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764483}
RD_009705617064_000 Reference Data From Materials Project: {formula:Y2SO2,spaceGroup:P-3m1,id:mp-12894}
RD_009715441318_000 Reference Data From Materials Project: {formula:Nd2In,spaceGroup:P6_3/mmc,id:mp-21295}
RD_009724712736_000 Reference Data From Materials Project: {formula:TiBe,spaceGroup:Pm-3m,id:mp-11279}
RD_009738345833_000 Reference Data From Materials Project: {formula:BaIrO3,spaceGroup:C2/m,id:mp-542897}
RD_009745528410_000 Reference Data From Materials Project: {formula:CaGa2,spaceGroup:P6_3/mmc,id:mp-11284}
RD_009752500020_000 Reference Data From Materials Project: {formula:Sm2B5,spaceGroup:P2_1/c,id:mp-570421}
RD_009754626219_000 Reference Data From Materials Project: {formula:Li2V3CuO8,spaceGroup:Cc,id:mp-776749}
RD_009787518381_000 Reference Data From Materials Project: {formula:Pb,spaceGroup:Im-3m,id:mp-22692}
RD_009823710961_000 Reference Data From Materials Project: {formula:ThRu3C,spaceGroup:Pm-3m,id:mp-22394}
RD_009835853383_000 Reference Data From Materials Project: {formula:Sb(PO3)5,spaceGroup:P2_1/c,id:mp-684537}
RD_009853028014_000 Reference Data From Materials Project: {formula:RbLi7(NiO3)2,spaceGroup:C2/m,id:mp-769676}
RD_009853740754_000 Reference Data From Materials Project: {formula:LiVF4,spaceGroup:I-4m2,id:mp-766953}
RD_009856147399_000 Reference Data From Materials Project: {formula:Li3Sb,spaceGroup:Fm-3m,id:mp-2074}
RD_009867261605_000 Reference Data From Materials Project: {formula:NaVF3,spaceGroup:Pm-3m,id:mp-555391}
RD_009876247484_000 Reference Data From Materials Project: {formula:RbAl(SO10)2,spaceGroup:Pa3,id:mp-795584}
RD_009899871131_000 Reference Data From Materials Project: {formula:Dy5C2I9,spaceGroup:P2_1/c,id:mp-570607}
RD_009907538514_000 Reference Data From Materials Project: {formula:LiSc2Pt,spaceGroup:Fm-3m,id:mp-865444}
RD_009910369490_000 Reference Data From Materials Project: {formula:LiMnPO4,spaceGroup:Pcmn,id:mp-18997}
RD_009912060496_000 Reference Data From Materials Project: {formula:La2Ti3O9,spaceGroup:I23,id:mp-754191}
RD_009916540785_000 Reference Data From Materials Project: {formula:LiFeF3,spaceGroup:Cc,id:mp-764358}
RD_009920024007_000 Reference Data From Materials Project: {formula:BaLa2Br8,spaceGroup:P2/c,id:mp-771981}
RD_009923981401_000 Reference Data From Materials Project: {formula:Cu3N,spaceGroup:Pm-3m,id:mp-13480}
RD_009926741779_000 Reference Data From Materials Project: {formula:CdTeMoO6,spaceGroup:P-42_1m,id:mp-565932}
RD_009944225712_000 Reference Data From Materials Project: {formula:La3CuSnS7,spaceGroup:P6_3,id:mp-510566}
RD_009948493473_000 Reference Data From Materials Project: {formula:Ge2Te5As2,spaceGroup:P-3m1,id:mp-14791}
RD_009960967005_000 Reference Data From Materials Project: {formula:CuSeO3,spaceGroup:P-1,id:mp-560049}
RD_009972762303_000 Reference Data From Materials Project: {formula:NaAcAu2,spaceGroup:Fm-3m,id:mp-864803}
RD_009996662568_000 Reference Data From Materials Project: {formula:LiMo2(PO4)3,spaceGroup:C2/m,id:mp-32081}
RD_010001486295_000 Reference Data From Materials Project: {formula:LiSb(TeO4)3,spaceGroup:P2,id:mp-761825}
RD_010017750733_000 Reference Data From Materials Project: {formula:TmSnRh,spaceGroup:P-62m,id:mp-11974}
RD_010017828023_000 Reference Data From Materials Project: {formula:Nd(SiPt)2,spaceGroup:I4/mmm,id:mp-20950}
RD_010066141099_000 Reference Data From Materials Project: {formula:Fe5(O4F)2,spaceGroup:P1,id:mp-775445}
RD_010077831295_000 Reference Data From Materials Project: {formula:NaV(GeO3)2,spaceGroup:C2/c,id:mp-565634}
RD_010086093825_000 Reference Data From Materials Project: {formula:SiC,spaceGroup:P3m1,id:mp-568735}
RD_010143326858_000 Reference Data From Materials Project: {formula:ZnSe,spaceGroup:F-43m,id:mp-1190}
RD_010158662824_000 Reference Data From Materials Project: {formula:Cs7Au5O2,spaceGroup:Immm,id:mp-510075}
RD_010158679080_000 Reference Data From Materials Project: {formula:InP2H4NO8,spaceGroup:P2_1/c,id:mp-698151}
RD_010163104385_000 Reference Data From Materials Project: {formula:Mo(PO4)2,spaceGroup:P2_12_12_1,id:mp-32056}
RD_010163360050_000 Reference Data From Materials Project: {formula:NaMgPb2,spaceGroup:Fm-3m,id:mp-865107}
RD_010189589403_000 Reference Data From Materials Project: {formula:K2Pr4Cl9O2,spaceGroup:P2_1/m,id:mp-558801}
RD_010223664106_000 Reference Data From Materials Project: {formula:Co21O40,spaceGroup:I-4,id:mp-851287}
RD_010229039113_000 Reference Data From Materials Project: {formula:Rb2Cr2O7,spaceGroup:C2/c,id:mp-19658}
RD_010237178850_000 Reference Data From Materials Project: {formula:MgAg,spaceGroup:Pm-3m,id:mp-2696}
RD_010252043089_000 Reference Data From Materials Project: {formula:CoB12H28(NO15)2,spaceGroup:P-1,id:mp-735475}
RD_010254174370_000 Reference Data From Materials Project: {formula:Gd3Al5O12,spaceGroup:Ia-3d,id:mp-14133}
RD_010266913262_000 Reference Data From Materials Project: {formula:YbSiAg,spaceGroup:P-62m,id:mp-16241}
RD_010289932500_000 Reference Data From Materials Project: {formula:TiNiSn,spaceGroup:F-43m,id:mp-924130}
RD_010302793241_000 Reference Data From Materials Project: {formula:HfSb2,spaceGroup:Pmnn,id:mp-2180}
RD_010310192170_000 Reference Data From Materials Project: {formula:FeCoH18(NCl)6,spaceGroup:Pa3,id:mp-24447}
RD_010337553401_000 Reference Data From Materials Project: {formula:AcMg,spaceGroup:Pm-3m,id:mp-866286}
RD_010389997213_000 Reference Data From Materials Project: {formula:CdSnO3,spaceGroup:Pbnm,id:mp-849371}
RD_010390381071_000 Reference Data From Materials Project: {formula:LiMnF3,spaceGroup:Pnma,id:mp-777702}
RD_010418395342_000 Reference Data From Materials Project: {formula:ScCu,spaceGroup:Pm-3m,id:mp-1169}
RD_010431354403_000 Reference Data From Materials Project: {formula:Sr5(SnP3)2,spaceGroup:Pmcb,id:mp-18458}
RD_010435049455_000 Reference Data From Materials Project: {formula:SnF2,spaceGroup:C2/c,id:mp-2843}
RD_010489641209_000 Reference Data From Materials Project: {formula:Co3Se4,spaceGroup:C2/m,id:mp-11800}
RD_010491938326_000 Reference Data From Materials Project: {formula:TiF3,spaceGroup:C2/m,id:mp-634867}
RD_010492603632_000 Reference Data From Materials Project: {formula:Ag15P4S16Cl3,spaceGroup:I-43d,id:mp-560328}
RD_010492688148_000 Reference Data From Materials Project: {formula:SmAsPd,spaceGroup:P6_3mc,id:mp-8951}
RD_010520468227_000 Reference Data From Materials Project: {formula:Nb6Tl3SBr17,spaceGroup:C2/c,id:mp-680340}
RD_010553411676_000 Reference Data From Materials Project: {formula:K2S,spaceGroup:P6_3/mmc,id:mp-559278}
RD_010563603079_000 Reference Data From Materials Project: {formula:NaPH3NO3,spaceGroup:P6_3,id:mp-632684}
RD_010572063051_000 Reference Data From Materials Project: {formula:GaCuSe2,spaceGroup:I-42d,id:mp-4840}
RD_010583615301_000 Reference Data From Materials Project: {formula:SnAu,spaceGroup:P6_3/mmc,id:mp-1775}
RD_010596318367_000 Reference Data From Materials Project: {formula:Er2Tc2O7,spaceGroup:Fd-3m,id:mp-557806}
RD_010627199993_000 Reference Data From Materials Project: {formula:SrLiLa7Fe3O16,spaceGroup:P4mm,id:mp-779957}
RD_010632835607_000 Reference Data From Materials Project: {formula:Lu2B4O9,spaceGroup:P-1,id:mp-772781}
RD_010647580217_000 Reference Data From Materials Project: {formula:LiTiP2O7,spaceGroup:P1,id:mp-757797}
RD_010667644415_000 Reference Data From Materials Project: {formula:Sm3MnAlS7,spaceGroup:P6_3,id:mp-867965}
RD_010679050496_000 Reference Data From Materials Project: {formula:Li4Fe3Ni3(WO8)2,spaceGroup:Cm,id:mp-772358}
RD_010689042003_000 Reference Data From Materials Project: {formula:Li4Co3O3F4,spaceGroup:I4/mmm,id:mp-763954}
RD_010745597281_000 Reference Data From Materials Project: {formula:Tl2SnCl6,spaceGroup:Fm-3m,id:mp-27832}
RD_010753947544_000 Reference Data From Materials Project: {formula:Li3Mn3(PO4)4,spaceGroup:P-1,id:mp-780548}
RD_010778381937_000 Reference Data From Materials Project: {formula:Pu2Co17,spaceGroup:P6_3/mmc,id:mp-568820}
RD_010792026029_000 Reference Data From Materials Project: {formula:U4Si6Tc7,spaceGroup:Im-3m,id:mp-20471}
RD_010796726918_000 Reference Data From Materials Project: {formula:HoGeAu,spaceGroup:F-43m,id:mp-13308}
RD_010808609718_000 Reference Data From Materials Project: {formula:Ca3Fe2(SiO4)3,spaceGroup:Ia-3d,id:mp-19535}
RD_010812526584_000 Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-8635) because the author said they use similar DFT input parameters as the items in the Materials Project. Vancancy Diffusion Properties from DFT Calculation: Zr, fcc
RD_010836980992_000 Reference Data From Materials Project: {formula:Li3Bi(PO4)2,spaceGroup:C2/m,id:mp-760655}
RD_010844659481_000 Experimental data collected from reference material at the University of Minnesota.
RD_010871825583_000 Reference Data From Materials Project: {formula:CsTm2Cu3Se5,spaceGroup:Cmcm,id:mp-581749}
RD_010873429509_000 Reference Data From Materials Project: {formula:Tm8Ga3Co,spaceGroup:P6_3mc,id:mp-540856}
RD_010902625574_000 Reference Data From Materials Project: {formula:Co(ReO4)2,spaceGroup:P-3m1,id:mp-31516}
RD_010939331945_000 Reference Data From Materials Project: {formula:Y14(InRh)3,spaceGroup:P4_2/nmc,id:mp-646110}
RD_010947090794_000 Reference Data From Materials Project: {formula:RbUAgS3,spaceGroup:Cmcm,id:mp-13350}
RD_010958530305_000 Reference Data From Materials Project: {formula:K3VSO3,spaceGroup:P2_1/m,id:mp-565879}
RD_010965065983_000 Reference Data From Materials Project: {formula:Li24Ti11CrO36,spaceGroup:P1,id:mp-779361}
RD_010965985021_000 Reference Data From Materials Project: {formula:NdAgAs2,spaceGroup:P4/nmm,id:mp-10816}
RD_010993673133_000 Reference Data From Materials Project: {formula:NaCe4I7N2,spaceGroup:Pc2_1n,id:mp-646565}
RD_011020308252_000 Reference Data From Materials Project: {formula:Co3(P2O7)2,spaceGroup:P-1,id:mp-767437}
RD_011037824528_000 Reference Data From Materials Project: {formula:Gd2Zr2O7,spaceGroup:Fd-3m,id:mp-510605}
RD_011056136124_000 Reference Data From Materials Project: {formula:Pm2LiSi,spaceGroup:Fm-3m,id:mp-863697}
RD_011060520927_000 Reference Data From Materials Project: {formula:Na3PH22(SO4)3,spaceGroup:Pna2_1,id:mp-761853}
RD_011060806617_000 Reference Data From Materials Project: {formula:Sc2AgAu,spaceGroup:Fm-3m,id:mp-862703}
RD_011069220762_000 Reference Data From Materials Project: {formula:Pr5O9,spaceGroup:P2_1/c,id:mp-559956}
RD_011077822179_000 Reference Data From Materials Project: {formula:Fe19Co5O32,spaceGroup:C2/m,id:mp-762884}
RD_011083199093_000 Reference Data From Materials Project: {formula:As2Ir,spaceGroup:P2_1/c,id:mp-15649}
RD_011093350245_000 Reference Data From Materials Project: {formula:FeCu2H21(O5F4)2,spaceGroup:P1,id:mp-40573}
RD_011110713854_000 Reference Data From Materials Project: {formula:Mo4P7O24,spaceGroup:P-1,id:mp-32099}
RD_011115455506_000 Reference Data From Materials Project: {formula:Li4TiCr5O12,spaceGroup:P-1,id:mp-765301}
RD_011117504842_000 Reference Data From Materials Project: {formula:K6Ge2O7,spaceGroup:Pc,id:mp-5116}
RD_011131703368_000 Reference Data From Materials Project: {formula:Li3Ni3SbO8,spaceGroup:R-3m,id:mp-772577}
RD_011143059993_000 Reference Data From Materials Project: {formula:K3Na3TeP6(HO4)6,spaceGroup:C2/c,id:mp-707985}
RD_011143875072_000 Reference Data From Materials Project: {formula:Li3Mn4(PO4)6,spaceGroup:P1,id:mp-767970}
RD_011165643897_000 Reference Data From Materials Project: {formula:K2WO4,spaceGroup:P2_1/c,id:mp-772367}
RD_011166216053_000 Reference Data From Materials Project: {formula:CrO2,spaceGroup:Pmnn,id:mp-715488}
RD_011168004754_000 Reference Data From Materials Project: {formula:V3(O2F)2,spaceGroup:P1,id:mp-763026}
RD_011191797163_000 Reference Data From Materials Project: {formula:Na4Si23,spaceGroup:Pm-3n,id:mp-186}
RD_011192665235_000 Reference Data From Materials Project: {formula:Li2Si4(NiO4)3,spaceGroup:Pnma,id:mp-850495}
RD_011199295802_000 Reference Data From Materials Project: {formula:V6O7F5,spaceGroup:P1,id:mp-778750}
RD_011204016099_000 Reference Data From Materials Project: {formula:TmBRh3,spaceGroup:Pm-3m,id:mp-5438}
RD_011212966275_000 Reference Data From Materials Project: {formula:Li6CrNiP2(CO7)2,spaceGroup:Pm,id:mp-767290}
RD_011217356474_000 Reference Data From Materials Project: {formula:ZrO,spaceGroup:Fm-3m,id:mp-10197}
RD_011227102877_000 Reference Data From Materials Project: {formula:Ta6Fe16Si7,spaceGroup:Fm-3m,id:mp-542996}
RD_011238808074_000 Reference Data From Materials Project: {formula:Mn5Pb(SO4)6,spaceGroup:P-3,id:mp-579561}
RD_011255944207_000 Reference Data From Materials Project: {formula:YbZnSn,spaceGroup:P6_3mc,id:mp-11831}
RD_011257510138_000 Reference Data From Materials Project: {formula:Fe3(OF)2,spaceGroup:P2_1/c,id:mp-767081}
RD_011264855501_000 Reference Data From Materials Project: {formula:Sr2CoReO6,spaceGroup:I4/m,id:mp-31515}
RD_011265377106_000 Reference Data From Materials Project: {formula:Pr30Ti24Se58I8O25,spaceGroup:Fm-3m,id:mp-556938}
RD_011278422140_000 Reference Data From Materials Project: {formula:PmAg3,spaceGroup:Fm-3m,id:mp-862878}
RD_011287080702_000 Reference Data From Materials Project: {formula:TbGa3,spaceGroup:P6_3/mmc,id:mp-867246}
RD_011320766307_000 Reference Data From Materials Project: {formula:LiBi(PO3)4,spaceGroup:P2_1/c,id:mp-673023}
RD_011326349246_000 Reference Data From Materials Project: {formula:NaH3O2,spaceGroup:P2_1/c,id:mp-625391}
RD_011328531424_000 Reference Data From Materials Project: {formula:KNaThF6,spaceGroup:P-3,id:mp-556741}
RD_011335564536_000 Reference Data From Materials Project: {formula:SmAlSi,spaceGroup:I4_1md,id:mp-12804}
RD_011336755224_000 Reference Data From Materials Project: {formula:Li2Co(SiO3)2,spaceGroup:C2/c,id:mp-763389}
RD_011401106942_000 Reference Data From Materials Project: {formula:Th(PS3)2,spaceGroup:P4_2/m,id:mp-14249}
RD_011408536759_000 Reference Data From Materials Project: {formula:Li2Ti3ZnO8,spaceGroup:P2_13,id:mp-774797}
RD_011412271837_000 Reference Data From Materials Project: {formula:Nd2MgAl,spaceGroup:Fm-3m,id:mp-864610}
RD_011422812287_000 Reference Data From Materials Project: {formula:ZnCdPt2,spaceGroup:P4/mmm,id:mp-30493}
RD_011425959527_000 Reference Data From Materials Project: {formula:NbSe2,spaceGroup:P-3m1,id:mp-10228}
RD_011465753748_000 Reference Data From Materials Project: {formula:Gd2CdO4,spaceGroup:Fd-3m,id:mp-754093}
RD_011471119783_000 Reference Data From Materials Project: {formula:CsU2O6,spaceGroup:Fd-3m,id:mp-7322}
RD_011479142910_000 Reference Data From Materials Project: {formula:Sr,spaceGroup:P6_3/mmc,id:mp-139}
RD_011499502590_000 Reference Data From Materials Project: {formula:Li2Cr3FeO8,spaceGroup:R3m,id:mp-775079}
RD_011531989876_000 Experimental data collected from reference material at the University of Minnesota. Internal Reference: Inorganic Crystal Structure Database; Temp reported as Room Temp; Pressure assumed to be standard;
RD_011538776481_000 Reference Data From Materials Project: {formula:K2SrCu(NO2)6,spaceGroup:Fmmm,id:mp-12161}
RD_011550880603_000 Reference Data From Materials Project: {formula:ReH8(NCl3)2,spaceGroup:Fm-3m,id:mp-632724}
RD_011556249479_000 Reference Data From Materials Project: {formula:PrBS3,spaceGroup:Pna2_1,id:mp-862754}
RD_011573888461_000 Reference Data From Materials Project: {formula:FeSiGe,spaceGroup:Cmce,id:mp-640075}
RD_011575620128_000 Reference Data From Materials Project: {formula:Ce3Nd2O9,spaceGroup:I-4m2,id:mp-676077}
RD_011585829107_000 Reference Data From Materials Project: {formula:UH14(NO2)4,spaceGroup:Pbca,id:mp-721180}
RD_011586153133_000 Reference Data From Materials Project: {formula:Ba2Zn(BO2)6,spaceGroup:P-1,id:mp-558680}
RD_011586188930_000 Reference Data From Materials Project: {formula:ErNi2,spaceGroup:Fd-3m,id:mp-1939}
RD_011590241883_000 Reference Data From Materials Project: {formula:VPO5,spaceGroup:P4_2/mbc,id:mp-581161}
RD_011628596075_000 Reference Data From Materials Project: {formula:Sc5Cl8,spaceGroup:C2/m,id:mp-542449}
RD_011629374083_000 Reference Data From Materials Project: {formula:InCu6ClO8,spaceGroup:Fm-3m,id:mp-616501}
RD_011647789488_000 Reference Data From Materials Project: {formula:Fe2C8SO10,spaceGroup:P2_1/c,id:mp-647840}
RD_011658325594_000 Reference Data From Materials Project: {formula:Be,spaceGroup:P6_3/mmc,id:mp-87}
RD_011684623295_000 Reference Data From Materials Project: {formula:YbKO2,spaceGroup:R-3m,id:mp-755010}
RD_011686662620_000 Reference Data From Materials Project: {formula:Mn7C3,spaceGroup:Pnma,id:mp-21256}
RD_011711057695_000 Reference Data From Materials Project: {formula:Eu(ReO4)2,spaceGroup:P-3,id:mp-754760}
RD_011717562004_000 Reference Data From Materials Project: {formula:LiGd(PO3)4,spaceGroup:C2/c,id:mp-6248}
RD_011720632072_000 Reference Data From Materials Project: {formula:SiP3H29C10BrN,spaceGroup:P2_1/c,id:mp-24830}
RD_011724339182_000 Reference Data From Materials Project: {formula:VFeH2O5,spaceGroup:P-1,id:mp-25533}
RD_011729236918_000 Reference Data From Materials Project: {formula:Cr4Co3(PO4)6,spaceGroup:P-1,id:mp-24893}
RD_011732091052_000 Reference Data From Materials Project: {formula:TeIr,spaceGroup:P6_3/mmc,id:mp-10187}
RD_011740492827_000 Reference Data From Materials Project: {formula:Rb17Fe5O16,spaceGroup:Cm,id:mp-770295}
RD_011759553399_000 Reference Data From Materials Project: {formula:Mn7Sn(PO4)12,spaceGroup:P1,id:mp-778765}
RD_011789855288_000 Reference Data From Materials Project: {formula:BBr3,spaceGroup:P6_3/m,id:mp-23225}
RD_011810484347_000 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_160162914153_000 and ClusterEnergyAndForces_4atom_Si__TE_160162914153_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_011812782306_000 Reference Data From Materials Project: {formula:MnFeCo(PO4)3,spaceGroup:Pm,id:mp-763446}
RD_011856640509_000 Reference Data From Materials Project: {formula:Y2Si4CN6,spaceGroup:P2_1/c,id:mp-6353}
RD_011861136144_000 Reference Data From Materials Project: {formula:LiMnP2O7,spaceGroup:P2_1/m,id:mp-540068}
RD_011866159517_000 Reference Data From Materials Project: {formula:Pr(ReO4)2,spaceGroup:P-3,id:mp-754632}
RD_011878634108_000 Reference Data From Materials Project: {formula:YBr2,spaceGroup:P4_2/mnm,id:mp-865534}
RD_011879678193_000 Reference Data From Materials Project: {formula:Ca4Al6SO16,spaceGroup:I-43m,id:mp-14150}
RD_011889861308_000 Reference Data From Materials Project: {formula:Hg(AsO3)2,spaceGroup:P-31m,id:mp-3810}
RD_011894428717_000 Reference Data From Materials Project: {formula:Li3FePCO7,spaceGroup:P-1,id:mp-769944}
RD_011918882717_000 Reference Data From Materials Project: {formula:KTlO,spaceGroup:C2/m,id:mp-27716}
RD_011942366296_000 Reference Data From Materials Project: {formula:NiCO3,spaceGroup:R-3c,id:mp-19147}
RD_011963997961_000 Reference Data From Materials Project: {formula:Ti2ZnRe,spaceGroup:Fm-3m,id:mp-866183}
RD_011964698713_000 Reference Data From Materials Project: {formula:V3(O2F)2,spaceGroup:P1,id:mp-780828}
RD_011977460845_000 Reference Data From Materials Project: {formula:MnTlH2OF4,spaceGroup:C2/c,id:mp-743564}
RD_011979196849_000 Reference Data From Materials Project: {formula:Y4Ga2O9,spaceGroup:P2_1/c,id:mp-769409}
RD_011983163847_000 Reference Data From Materials Project: {formula:LiFeO3,spaceGroup:C2/m,id:mp-763700}
RD_011991969816_000 Reference Data From Materials Project: {formula:K2ReCl5O,spaceGroup:Pcmn,id:mp-556347}
RD_012001596120_000 Reference Data From Materials Project: {formula:Er3CrS6,spaceGroup:Pmnn,id:mp-18420}
RD_012004422678_000 Reference Data From Materials Project: {formula:ZnS,spaceGroup:P3m1,id:mp-557308}
RD_012019207581_000 Reference Data From Materials Project: {formula:TlCu5Se3,spaceGroup:P4_2/mnm,id:mp-541923}
RD_012019809411_000 Reference Data From Materials Project: {formula:La3C2I3,spaceGroup:C222_1,id:mp-569686}
RD_012037227745_000 Reference Data From Materials Project: {formula:Dy5NiPb3,spaceGroup:P6_3/mcm,id:mp-640372}
RD_012072662828_000 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_235416817122_000 and ClusterEnergyAndForces_4atom_Si__TE_235416817122_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_012089527086_000 Reference Data From Materials Project: {formula:Y4InIr,spaceGroup:F-43m,id:mp-672679}
RD_012099067759_000 Reference Data From Materials Project: {formula:NiP2(H4O5)2,spaceGroup:P2_1/c,id:mp-542954}
RD_012113615872_000 Reference Data From Materials Project: {formula:CoSb3,spaceGroup:Im3,id:mp-1317}
RD_012122896132_000 Reference Data From Materials Project: {formula:Y3DyO6,spaceGroup:C2,id:mp-757197}
RD_012125452185_000 Reference Data From Materials Project: {formula:Ba,spaceGroup:P6/mmm,id:mp-605790}
RD_012134677096_000 Reference Data From Materials Project: {formula:Nb4Ni2C,spaceGroup:Fd-3m,id:mp-864841}
RD_012138590020_000 Reference Data From Materials Project: {formula:Na2SiF6,spaceGroup:P321,id:mp-3775}
RD_012148271660_000 Reference Data From Materials Project: {formula:Zn(InS2)2,spaceGroup:P3m1,id:mp-22253}
RD_012157299271_000 Reference Data From Materials Project: {formula:DyRh,spaceGroup:Pm-3m,id:mp-232}
RD_012164003479_000 Reference Data From Materials Project: {formula:BeSiRh2,spaceGroup:Fm-3m,id:mp-867767}
RD_012176452946_000 Reference Data From Materials Project: {formula:Co3P4O15,spaceGroup:Pn2_1a,id:mp-850473}
RD_012184791832_000 Reference Data From Materials Project: {formula:LiCuO2,spaceGroup:P3m1,id:mp-754912}
RD_012210754947_000 Reference Data From Materials Project: {formula:Li6MnV3(PO4)6,spaceGroup:P1,id:mp-764585}
RD_012211163568_000 Reference Data From Materials Project: {formula:MnCd6O8,spaceGroup:Fm-3m,id:mp-761295}
RD_012213834672_000 Reference Data From Materials Project: {formula:Ho2CF2,spaceGroup:P-3m1,id:mp-9006}
RD_012222088616_000 Reference Data From Materials Project: {formula:Sr2PbO4,spaceGroup:Pmcb,id:mp-20944}
RD_012233906265_000 Reference Data From Materials Project: {formula:H4CN2O,spaceGroup:P4_12_12,id:mp-720526}
RD_012278835967_000 Reference Data From Materials Project: {formula:Li5FeS4,spaceGroup:Pmmn,id:mp-756173}
RD_012286372936_000 Reference Data From Materials Project: {formula:Li10Mn3F16,spaceGroup:R-3m,id:mp-778351}
RD_012326527300_000 Reference Data From Materials Project: {formula:LiNdTiO4,spaceGroup:P4/nmm,id:mp-10520}
RD_012339085409_000 Reference Data From Materials Project: {formula:NaSe,spaceGroup:P6_3/mmc,id:mp-15668}
RD_012373279500_000 Reference Data From Materials Project: {formula:Ho2C,spaceGroup:R-3m,id:mp-1640}
RD_012374316604_000 Reference Data From Materials Project: {formula:RuC,spaceGroup:P-6m2,id:mp-10030}
RD_012378722789_000 Reference Data From Materials Project: {formula:LuPO4,spaceGroup:I4_1/a,id:mp-555586}
RD_012378939458_000 Reference Data From Materials Project: {formula:Co3Cu3(TeO8)2,spaceGroup:P1,id:mp-761933}
RD_012403750445_000 Reference Data From Materials Project: {formula:Zr(MoO4)2,spaceGroup:Pmn2_1,id:mp-636731}
RD_012408541930_000 Reference Data From Materials Project: {formula:Na5Mn2P2(CO7)2,spaceGroup:P-1,id:mp-769536}
RD_012462039016_000 Reference Data From Materials Project: {formula:TiCo2,spaceGroup:Fd-3m,id:mp-695}
RD_012462802763_000 Reference Data From Materials Project: {formula:KLiSb(PO4)2,spaceGroup:P1,id:mp-761143}
RD_012464009151_000 Reference Data From Materials Project: {formula:ScVRu2,spaceGroup:Fm-3m,id:mp-867137}
RD_012471489659_000 Reference Data From Materials Project: {formula:Na3Li3Fe2P2(CO7)2,spaceGroup:P1,id:mp-771447}
RD_012474462214_000 Reference Data From Materials Project: {formula:Li4TiV4Cr4O18,spaceGroup:Pb2_1m,id:mp-767927}
RD_012476989993_000 Reference Data From Materials Project: {formula:Zr2N2O,spaceGroup:Cm,id:mp-775863}
RD_012497798629_000 Reference Data From Materials Project: {formula:Li3(NiO2)4,spaceGroup:P-1,id:mp-764850}
RD_012499844742_000 Reference Data From Materials Project: {formula:NbN,spaceGroup:P6_3/mmc,id:mp-15799}
RD_012506804399_000 Reference Data From Materials Project: {formula:Ba2Si3Ag,spaceGroup:Fddd,id:mp-9867}
RD_012516510306_000 Reference Data From Materials Project: {formula:TiH2SO6,spaceGroup:P2_12_12_1,id:mp-505139}
RD_012523216395_000 Reference Data From Materials Project: {formula:Yb11(U2S11)2,spaceGroup:C2/m,id:mp-683986}
RD_012524487409_000 Reference Data From Materials Project: {formula:Na2ThF6,spaceGroup:P321,id:mp-4829}
RD_012594664202_000 Reference Data From Materials Project: {formula:DyBe13,spaceGroup:Fm-3c,id:mp-31189}
RD_012595732685_000 Reference Data From Materials Project: {formula:Li2V2Si4O11,spaceGroup:P-1,id:mp-761443}
RD_012602119201_000 Reference Data From Materials Project: {formula:Li2MnV(P2O7)2,spaceGroup:P2_1,id:mp-779885}
RD_012664532809_000 Reference Data From Materials Project: {formula:USnPt,spaceGroup:F-43m,id:mp-30848}
RD_012679002170_000 Reference Data From Materials Project: {formula:LiTi2O4,spaceGroup:P2/m,id:mp-675334}
RD_012683993701_000 Reference Data From Materials Project: {formula:NaCeTl2,spaceGroup:Fm-3m,id:mp-865089}
RD_012687706371_000 Reference Data From Materials Project: {formula:CsAuBr3,spaceGroup:I4/mmm,id:mp-569548}
RD_012690116675_000 Reference Data From Materials Project: {formula:Ba2Fe6O11,spaceGroup:Pnmn,id:mp-652683}
RD_012691163624_000 Reference Data From Materials Project: {formula:TaF5,spaceGroup:C2/m,id:mp-561197}
RD_012695975158_000 Reference Data From Materials Project: {formula:V4(OF3)3,spaceGroup:P1,id:mp-779370}
RD_012696443413_000 Reference Data From Materials Project: {formula:IO2,spaceGroup:P2_1/c,id:mp-23170}
RD_012701204484_000 Reference Data From Materials Project: {formula:Sr16V12O39,spaceGroup:P1,id:mp-761824}
RD_012704727235_000 Reference Data From Materials Project: {formula:CuI,spaceGroup:P6_3mc,id:mp-569346}
RD_012709743654_000 Reference Data From Materials Project: {formula:ScInPt,spaceGroup:P-62m,id:mp-31297}
RD_012723460582_000 Reference Data From Materials Project: {formula:ScCuSn,spaceGroup:P6_3mc,id:mp-13203}
RD_012723689149_000 Reference Data From Materials Project: {formula:Sr(SiCu)2,spaceGroup:I4/mmm,id:mp-7877}
RD_012736648758_000 Reference Data From Materials Project: {formula:ScO,spaceGroup:Fm-3m,id:mp-644481}
RD_012779407868_000 Reference Data From Materials Project: {formula:Li3VCr2O6,spaceGroup:C2/m,id:mp-770041}
RD_012779760934_000 Reference Data From Materials Project: {formula:FeSb,spaceGroup:P6_3/mmc,id:mp-2619}