An item of "reference data" is an experimental result or a high-accuracy computation (such as using density functional theory (DFT)) for a material property defined in OpenKIM for a particular system (e.g. the {111} surface energy of fcc Cu). Click for more information.
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| Reference Data | Data Method | Description |
|---|---|---|
| RD_873684459875_000 | computation | Reference Data From Materials Project: {formula:Mg4As6Rh7,spaceGroup:Im-3m,id:mp-22326} |
| RD_874403419736_000 | computation | Reference Data From Materials Project: {formula:ThAs,spaceGroup:Pm-3m,id:mp-19868} |
| RD_875455910197_000 | computation | Reference Data From Materials Project: {formula:K2LiGaAs2,spaceGroup:Ccme,id:mp-9703} |
| RD_875728729423_000 | computation | Reference Data From Materials Project: {formula:MgAgAs,spaceGroup:F-43m,id:mp-3477} |
| RD_876483263824_000 | computation | Reference Data From Materials Project: {formula:Na2SnBAsO7,spaceGroup:P2_1/m,id:mp-772625} |
| RD_876612690189_000 | computation | Reference Data From Materials Project: {formula:Mg3(AsO4)2,spaceGroup:P2_1/c,id:mp-756919} |
| RD_876956944881_000 | computation | Reference Data From Materials Project: {formula:Cr2AsC10ClO10,spaceGroup:P2_1/c,id:mp-705033} |
| RD_877205912120_000 | computation | Reference Data From Materials Project: {formula:As5Pb3S10,spaceGroup:P2_1,id:mp-647590} |
| RD_877470939987_000 | computation | Reference Data From Materials Project: {formula:Cs(FeAs)2,spaceGroup:I4/mmm,id:mp-28884} |
| RD_877958611597_000 | computation | Reference Data From Materials Project: {formula:Pr3(ZnAs3)2,spaceGroup:P2_1/m,id:mp-685957} |
| RD_877981973488_000 | computation | Reference Data From Materials Project: {formula:MnAs2S4(NF6)4,spaceGroup:P2_1/c,id:mp-622136} |
| RD_878126661646_000 | computation | Reference Data From Materials Project: {formula:Hg3AsO4,spaceGroup:P2_1/c,id:mp-556339} |
| RD_879814050399_000 | computation | Reference Data From Materials Project: {formula:K3V3(AsO7)2,spaceGroup:Pnam,id:mp-567009} |
| RD_880584346147_000 | computation | Reference Data From Materials Project: {formula:UCoAs2,spaceGroup:P4/nmm,id:mp-19786} |
| RD_880941961674_000 | computation | Reference Data From Materials Project: {formula:Ge3As4,spaceGroup:P-43m,id:mp-569600} |
| RD_881458770755_000 | computation | Reference Data From Materials Project: {formula:Eu(FeAs)2,spaceGroup:I4/mmm,id:mp-20890} |
| RD_882528951809_000 | computation | Reference Data From Materials Project: {formula:Li3AsH36(SeN3)4,spaceGroup:I-43m,id:mp-866667} |
| RD_882713427505_000 | computation | Reference Data From Materials Project: {formula:Mg(BeAs)2,spaceGroup:P-3m1,id:mp-865185} |
| RD_883139534368_000 | computation | Reference Data From Materials Project: {formula:K2Ni12As7,spaceGroup:P-6,id:mp-541810} |
| RD_883284892463_000 | computation | Reference Data From Materials Project: {formula:Ba4SiAs4,spaceGroup:P-43n,id:mp-14001} |
| RD_883977811443_000 | computation | Reference Data From Materials Project: {formula:Zn3TeAs2Pb3O14,spaceGroup:P321,id:mp-558298} |
| RD_884631799960_000 | computation | Reference Data From Materials Project: {formula:Mg7As6(HO6)4,spaceGroup:P-1,id:mp-543056} |
| RD_884787075761_000 | computation | Reference Data From Materials Project: {formula:Ba2Mn3(AsO)2,spaceGroup:I4/mmm,id:mp-18963} |
| RD_885615117772_000 | computation | Reference Data From Materials Project: {formula:AsS6N5F6,spaceGroup:C2/c,id:mp-558583} |
| RD_885782913284_000 | computation | Reference Data From Materials Project: {formula:InAsF6,spaceGroup:R-3,id:mp-22604} |
| RD_885904052718_000 | computation | Reference Data From Materials Project: {formula:Ag3(AsO4)2,spaceGroup:R3,id:mp-35320} |
| RD_886270464387_000 | computation | Reference Data From Materials Project: {formula:Sm2AsSe,spaceGroup:I4_1/amd,id:mp-38593} |
| RD_888756787974_000 | computation | Reference Data From Materials Project: {formula:BaLiAs,spaceGroup:P-6m2,id:mp-10616} |
| RD_888801362294_000 | computation | Reference Data From Materials Project: {formula:Tl2CuAsO4,spaceGroup:P2_1,id:mp-559727} |
| RD_889625733593_000 | computation | Reference Data From Materials Project: {formula:LaFeAsO,spaceGroup:P4/nmm,id:mp-24945} |
| RD_890287750876_000 | computation | Reference Data From Materials Project: {formula:PrAs,spaceGroup:Fm-3m,id:mp-10622} |
| RD_891149200194_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_891972207502_000 | computation | Reference Data From Materials Project: {formula:Ag2Hg7(As2I3)2,spaceGroup:Pa3,id:mp-23592} |
| RD_892123693362_000 | computation | Reference Data From Materials Project: {formula:CeAgAs2,spaceGroup:P4/nmm,id:mp-20384} |
| RD_892711163738_000 | computation | Reference Data From Materials Project: {formula:SrNi5As3,spaceGroup:Cmcm,id:mp-17396} |
| RD_893261118354_000 | computation | Reference Data From Materials Project: {formula:Ba(CrAs)2,spaceGroup:I4/mmm,id:mp-571339} |
| RD_893301226092_000 | computation | Reference Data From Materials Project: {formula:V3As2,spaceGroup:P4/m,id:mp-540701} |
| RD_894427436157_000 | computation | Reference Data From Materials Project: {formula:TlAgAs2PbS5,spaceGroup:P1,id:mp-697231} |
| RD_894470540776_000 | computation | Reference Data From Materials Project: {formula:Yb4As6Rh7,spaceGroup:Im-3m,id:mp-22062} |
| RD_895208574785_000 | computation | Reference Data From Materials Project: {formula:Zn3(AsO3)2,spaceGroup:Pcma,id:mp-27580} |
| RD_896696954826_000 | computation | Reference Data From Materials Project: {formula:YAsPt,spaceGroup:P6_3/mmc,id:mp-15695} |
| RD_897540326536_000 | computation | Reference Data From Materials Project: {formula:Hg3AsSe4I,spaceGroup:P6_3mc,id:mp-570084} |
| RD_897906591819_000 | computation | Reference Data From Materials Project: {formula:Sr(NiAs)2,spaceGroup:I4/mmm,id:mp-4316} |
| RD_898024960255_000 | computation | Reference Data From Materials Project: {formula:Sm6Fe6As6O5F,spaceGroup:P2_1/m,id:mp-697821} |
| RD_898176472377_000 | computation | Reference Data From Materials Project: {formula:Na5AsO5,spaceGroup:Pcmb,id:mp-17816} |
| RD_899029907077_000 | computation | Reference Data From Materials Project: {formula:Cs2As3,spaceGroup:Fmmm,id:mp-15557} |
| RD_899357195736_000 | computation | Reference Data From Materials Project: {formula:Na2AsH15O11,spaceGroup:P2_1/c,id:mp-24367} |
| RD_899845700859_000 | computation | Reference Data From Materials Project: {formula:AsClF8,spaceGroup:C2/c,id:mp-27926} |
| RD_899896628708_000 | computation | Reference Data From Materials Project: {formula:Sn3As4,spaceGroup:P-43m,id:mp-570377} |
| RD_900308650007_000 | computation | Reference Data From Materials Project: {formula:GdAs,spaceGroup:Fm-3m,id:mp-510374} |
| RD_900781815511_000 | computation | Reference Data From Materials Project: {formula:MnAsH2O5,spaceGroup:C2/c,id:mp-25557} |
| RD_900807915129_000 | computation | AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_901638851555_000 | computation | Reference Data From Materials Project: {formula:FeAsO4,spaceGroup:Ibmm,id:mp-19398} |
| RD_902100399786_000 | computation | Reference Data From Materials Project: {formula:HfCoAs,spaceGroup:Pmnb,id:mp-9801} |
| RD_902712659376_000 | computation | Reference Data From Materials Project: {formula:ZnSi4As2(H3C)12,spaceGroup:P-1,id:mp-570146} |
| RD_902756632299_000 | computation | Reference Data From Materials Project: {formula:CdAs2S18N12(OF2)6,spaceGroup:P-1,id:mp-557010} |
| RD_903385719707_000 | computation | Reference Data From Materials Project: {formula:ZrTiAs,spaceGroup:I4/mmm,id:mp-30147} |
| RD_903538159882_000 | computation | Reference Data From Materials Project: {formula:Ce3AsS3,spaceGroup:P2_13,id:mp-675514} |
| RD_905172402552_000 | computation | Reference Data From Materials Project: {formula:TlAs3PbS6,spaceGroup:F2dd,id:mp-647900} |
| RD_905384790509_000 | computation | Reference Data From Materials Project: {formula:Ag3AsS3,spaceGroup:R3c,id:mp-4431} |
| RD_905682202135_000 | computation | Reference Data From Materials Project: {formula:K(Cu2As)2,spaceGroup:R-3m,id:mp-8608} |
| RD_907338638470_000 | computation | Reference Data From Materials Project: {formula:Cu12As4S13,spaceGroup:I-43m,id:mp-504753} |
| RD_907991634193_000 | computation | Reference Data From Materials Project: {formula:Cd2AsO4F,spaceGroup:C2/c,id:mp-541677} |
| RD_908543467205_000 | computation | Reference Data From Materials Project: {formula:Hg3AsClO4,spaceGroup:P2_13,id:mp-23644} |
| RD_908923101297_000 | computation | Reference Data From Materials Project: {formula:NiAs,spaceGroup:Ccm2_1,id:mp-590} |
| RD_909675848042_000 | computation | Reference Data From Materials Project: {formula:Sr(AsO3)2,spaceGroup:P-31m,id:mp-754118} |
| RD_910322019802_000 | computation | Reference Data From Materials Project: {formula:PuAs,spaceGroup:Pm-3m,id:mp-20773} |
| RD_910571081200_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_911150351584_000 | computation | Reference Data From Materials Project: {formula:Zn3As2,spaceGroup:Pn-3m,id:mp-7845} |
| RD_912029405073_000 | computation | Reference Data From Materials Project: {formula:Mn7SbAsO12,spaceGroup:Imcm,id:mp-699691} |
| RD_912436416557_000 | computation | Reference Data From Materials Project: {formula:Ba3(LiAs)4,spaceGroup:Immm,id:mp-15753} |
| RD_913081510315_000 | computation | Reference Data From Materials Project: {formula:TiAs2H4O9,spaceGroup:P2_1/c,id:mp-541860} |
| RD_913317117342_000 | computation | Reference Data From Materials Project: {formula:Zn3As2(HO)16,spaceGroup:C2/m,id:mp-541761} |
| RD_913757885705_000 | computation | Reference Data From Materials Project: {formula:CoAs,spaceGroup:Pmnb,id:mp-583} |
| RD_913838817499_000 | computation | Reference Data From Materials Project: {formula:Li3As7,spaceGroup:Pcab,id:mp-680395} |
| RD_914065145826_000 | computation | Reference Data From Materials Project: {formula:NaAsH4O5,spaceGroup:P2_12_12_1,id:mp-559005} |
| RD_914733640426_000 | computation | Reference Data From Materials Project: {formula:In4As3Se,spaceGroup:I-42m,id:mp-685956} |
| RD_914937282602_000 | computation | Reference Data From Materials Project: {formula:Li2FeAsCO7,spaceGroup:P2_1/m,id:mp-771469} |
| RD_915437351728_000 | computation | Reference Data From Materials Project: {formula:MgAs2(XeF5)4,spaceGroup:P2_12_12_1,id:mp-555546} |
| RD_915584426190_000 | computation | Reference Data From Materials Project: {formula:AsCl5,spaceGroup:Pnmm,id:mp-30106} |
| RD_915637985950_000 | computation | Reference Data From Materials Project: {formula:TeAs(SeF3)2,spaceGroup:P2_12_12_1,id:mp-667447} |
| RD_916804131293_000 | computation | Reference Data From Materials Project: {formula:NiAs2S6(NF3)6,spaceGroup:P2_1/c,id:mp-566281} |
| RD_917336883054_000 | computation | Reference Data From Materials Project: {formula:ThAs,spaceGroup:Pm-3m,id:mp-19868} |
| RD_917842094645_000 | computation | Reference Data From Materials Project: {formula:K9(NbAs3)2,spaceGroup:Pc,id:mp-676737} |
| RD_917866983855_000 | computation | Reference Data From Materials Project: {formula:TbAs,spaceGroup:Fm-3m,id:mp-2640} |
| RD_918235329058_000 | computation | Reference Data From Materials Project: {formula:GdAsO4,spaceGroup:P4/nbm,id:mp-753976} |
| RD_918664542647_000 | computation | Reference Data From Materials Project: {formula:Sn3As4,spaceGroup:P-43m,id:mp-570377} |
| RD_918929096232_000 | computation | Reference Data From Materials Project: {formula:AsXe2F9,spaceGroup:P1,id:mp-637062} |
| RD_919961465542_000 | computation | Reference Data From Materials Project: {formula:NiAs3H3OF18,spaceGroup:Pbnm,id:mp-604978} |
| RD_920481330257_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_920580083875_000 | computation | Reference Data From Materials Project: {formula:Ba3As14,spaceGroup:P2_1/c,id:mp-524} |
| RD_920796462482_000 | computation | Reference Data From Materials Project: {formula:KLi2As,spaceGroup:Pmnm,id:mp-28994} |
| RD_921646997967_000 | computation | Reference Data From Materials Project: {formula:RbSnAsO5,spaceGroup:Pc2_1n,id:mp-15108} |
| RD_922205861894_000 | computation | Reference Data From Materials Project: {formula:CuAsPbS3,spaceGroup:Pmn2_1,id:mp-628643} |
| RD_922272665960_000 | computation | Reference Data From Materials Project: {formula:Er2Ni12As7,spaceGroup:P-6,id:mp-542718} |
| RD_922369644250_000 | computation | Reference Data From Materials Project: {formula:NpAs,spaceGroup:Fm-3m,id:mp-2186} |
| RD_922437964499_000 | computation | Reference Data From Materials Project: {formula:SrCoAs2O7,spaceGroup:P2_1/c,id:mp-24888} |
| RD_923371405981_000 | computation | Reference Data From Materials Project: {formula:Pa3As4,spaceGroup:I-43d,id:mp-2622} |
| RD_923900160419_000 | computation | Reference Data From Materials Project: {formula:As3Pb5ClO9,spaceGroup:P6_3,id:mp-649619} |
| RD_924333825751_000 | computation | Reference Data From Materials Project: {formula:Ca(NiAs)2,spaceGroup:I4/mmm,id:mp-4744} |
| RD_924990278911_000 | computation | Reference Data From Materials Project: {formula:As2Se3,spaceGroup:P2_1/c,id:mp-909} |
| RD_924998076663_000 | computation | Reference Data From Materials Project: {formula:Sr(AsS2)2,spaceGroup:P1,id:mp-36577} |
| RD_925320023900_000 | computation | Reference Data From Materials Project: {formula:LiVAsCO7,spaceGroup:P2_1,id:mp-771935} |
| RD_925659488091_000 | computation | Reference Data From Materials Project: {formula:SrAgAs,spaceGroup:P6_3/mmc,id:mp-6954} |
| RD_925820739269_000 | computation | Reference Data From Materials Project: {formula:Cs3GeAsSe5,spaceGroup:P2_1/c,id:mp-582708} |
| RD_926037982737_000 | computation | Reference Data From Materials Project: {formula:Ho2NiAs2,spaceGroup:P6_3/mmc,id:mp-8787} |
| RD_926040980299_000 | computation | Reference Data From Materials Project: {formula:AsF5,spaceGroup:P6_3/mmc,id:mp-8723} |
| RD_926592606722_000 | computation | Reference Data From Materials Project: {formula:KCu4(AsO4)3,spaceGroup:C2/c,id:mp-21578} |
| RD_926785090014_000 | computation | Reference Data From Materials Project: {formula:Ba3(SiAs2)2,spaceGroup:C2/c,id:mp-11692} |
| RD_926823737077_000 | computation | Reference Data From Materials Project: {formula:FeAs2O7,spaceGroup:C2,id:mp-25524} |
| RD_927276546234_000 | computation | Reference Data From Materials Project: {formula:V3As,spaceGroup:Pm-3n,id:mp-292} |
| RD_927478959199_000 | computation | Reference Data From Materials Project: {formula:CeAsS,spaceGroup:P4/nmm,id:mp-5908} |
| RD_927526333327_000 | computation | Reference Data From Materials Project: {formula:Ni(AsO3)2,spaceGroup:P-31m,id:mp-19384} |
| RD_927727220443_000 | computation | Reference Data From Materials Project: {formula:Ni3(AsO4)2,spaceGroup:Cmce,id:mp-541143} |
| RD_928021864635_000 | computation | Reference Data From Materials Project: {formula:Cr5As3,spaceGroup:Pcmn,id:mp-505539} |
| RD_928620657768_000 | computation | Reference Data From Materials Project: {formula:As2Pb(XeF6)3,spaceGroup:C2/m,id:mp-557799} |
| RD_928966198956_000 | computation | Reference Data From Materials Project: {formula:BaV(AsO4)2,spaceGroup:P2_1/c,id:mp-566358} |
| RD_929130028956_000 | computation | Reference Data From Materials Project: {formula:MnAs,spaceGroup:P6_3/mmc,id:mp-610} |
| RD_929153812294_000 | computation | Reference Data From Materials Project: {formula:LiTiAsO5,spaceGroup:Pmcn,id:mp-6113} |
| RD_929203742947_000 | computation | Reference Data From Materials Project: {formula:GdAsO4,spaceGroup:I4_1/amd,id:mp-776200} |
| RD_929537693063_000 | computation | Reference Data From Materials Project: {formula:Li2NdAs2,spaceGroup:P-3m1,id:mp-7779} |
| RD_930210029951_000 | computation | Reference Data From Materials Project: {formula:AsC3N3F8,spaceGroup:C2/c,id:mp-558853} |
| RD_930214151372_000 | computation | Reference Data From Materials Project: {formula:LiGaAs2O7,spaceGroup:C2,id:mp-545346} |
| RD_931275363542_000 | computation | Reference Data From Materials Project: {formula:Na3Sb3(AsO7)2,spaceGroup:P2_1/c,id:mp-556577} |
| RD_931725988275_000 | computation | Reference Data From Materials Project: {formula:Cu7As6(PbO12)2,spaceGroup:P-1,id:mp-554606} |
| RD_931984745947_000 | computation | Reference Data From Materials Project: {formula:CuAs2S8N8(OF7)4,spaceGroup:I4_1/a,id:mp-559978} |
| RD_932348163286_000 | computation | Reference Data From Materials Project: {formula:Rb5Ta(TlAs2)2,spaceGroup:Pcmn,id:mp-570566} |
| RD_932635166230_000 | computation | Reference Data From Materials Project: {formula:Sr2AsAu,spaceGroup:Fm-3m,id:mp-867192} |
| RD_933337301384_000 | computation | Reference Data From Materials Project: {formula:GeAsSe,spaceGroup:Pnna,id:mp-29249} |
| RD_933826940592_000 | computation | Reference Data From Materials Project: {formula:KZnAs,spaceGroup:P-6m2,id:mp-15687} |
| RD_933888754548_000 | computation | Reference Data From Materials Project: {formula:Tl8Sb21As19(PbS17)4,spaceGroup:P1,id:mp-581586} |
| RD_934212876631_000 | computation | Reference Data From Materials Project: {formula:As,spaceGroup:Pm-3m,id:mp-10} |
| RD_934500564587_000 | computation | Reference Data From Materials Project: {formula:Tc2As3,spaceGroup:P-1,id:mp-8886} |
| RD_934549416474_000 | computation | Reference Data From Materials Project: {formula:Ba(MgAs)2,spaceGroup:P-3m1,id:mp-8280} |
| RD_934604261169_000 | computation | Reference Data From Materials Project: {formula:CsTiAsO5,spaceGroup:Pc2_1n,id:mp-541956} |
| RD_934705885198_000 | computation | Reference Data From Materials Project: {formula:K3Bi(AsSe2)6,spaceGroup:P-3,id:mp-865961} |
| RD_934776224192_000 | computation | Reference Data From Materials Project: {formula:NiAs,spaceGroup:P6_3/mmc,id:mp-2346} |
| RD_936222809147_000 | computation | Reference Data From Materials Project: {formula:ZrAs,spaceGroup:P6_3/mmc,id:mp-1682} |
| RD_936319220825_000 | computation | Reference Data From Materials Project: {formula:La(AsPd)2,spaceGroup:I4/mmm,id:mp-571434} |
| RD_937535131922_000 | computation | Reference Data From Materials Project: {formula:BaBAsO5,spaceGroup:P3_121,id:mp-9784} |
| RD_937816038842_000 | computation | Reference Data From Materials Project: {formula:Li3Cr2(AsO4)3,spaceGroup:Ia-3d,id:mp-779404} |
| RD_937833351625_000 | computation | Reference Data From Materials Project: {formula:MnAs,spaceGroup:P6_3/mmc,id:mp-610} |
| RD_937942704747_000 | computation | Reference Data From Materials Project: {formula:Gd5(AsO6)2,spaceGroup:C2/m,id:mp-757215} |
| RD_938874356308_000 | computation | Reference Data From Materials Project: {formula:CuAs,spaceGroup:P6_3/mmc,id:mp-12070} |
| RD_941433856502_000 | computation | Reference Data From Materials Project: {formula:Ba3As2H14S8O7,spaceGroup:P2_1/c,id:mp-722774} |
| RD_942294972582_000 | computation | Reference Data From Materials Project: {formula:As2O3,spaceGroup:Fd-3m,id:mp-2184} |
| RD_942679786744_000 | computation | Reference Data From Materials Project: {formula:NaZnAsO4,spaceGroup:P2_1/c,id:mp-14901} |
| RD_942949800289_000 | computation | Reference Data From Materials Project: {formula:Ge2As2O7,spaceGroup:P-1,id:mp-768524} |
| RD_943026085274_000 | computation | Reference Data From Materials Project: {formula:Ce(AsPd)2,spaceGroup:I4/mmm,id:mp-567375} |
| RD_943213157202_000 | computation | Reference Data From Materials Project: {formula:Yb2Cu4As3,spaceGroup:P-62m,id:mp-16668} |
| RD_944729205336_000 | computation | Reference Data From Materials Project: {formula:CrHg6As4Br7,spaceGroup:Pa3,id:mp-567329} |
| RD_944746566412_000 | computation | Reference Data From Materials Project: {formula:AlAs,spaceGroup:F-43m,id:mp-2172} |
| RD_945247751297_000 | computation | Reference Data From Materials Project: {formula:NdAsSe,spaceGroup:Cmce,id:mp-690674} |
| RD_945283228006_000 | computation | Reference Data From Materials Project: {formula:InHg6As4Cl7,spaceGroup:Pa3,id:mp-571341} |
| RD_945630268302_000 | computation | Reference Data From Materials Project: {formula:UAs,spaceGroup:Pm-3m,id:mp-21087} |
| RD_945758219711_000 | computation | AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_946062928537_000 | computation | Reference Data From Materials Project: {formula:Cs2As8S13,spaceGroup:Pcan,id:mp-650280} |
| RD_947223651626_000 | computation | Reference Data From Materials Project: {formula:CaAsPt,spaceGroup:I4_1md,id:mp-28340} |
| RD_947298990611_000 | computation | Reference Data From Materials Project: {formula:Te7As5I,spaceGroup:Cm,id:mp-541032} |
| RD_948612359583_000 | computation | AsGa in AFLOW crystal prototype AB_oP2_25_a_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_948748142327_000 | computation | Reference Data From Materials Project: {formula:CdAs2S2(OF3)4,spaceGroup:F2dd,id:mp-558288} |
| RD_948779519628_000 | computation | Reference Data From Materials Project: {formula:KScAs2(HO4)2,spaceGroup:C2/c,id:mp-695800} |
| RD_949502955164_000 | computation | Reference Data From Materials Project: {formula:MnTl2As2S5,spaceGroup:Ccme,id:mp-557979} |
| RD_950516376745_000 | computation | Reference Data From Materials Project: {formula:AsSeBr,spaceGroup:F-43m,id:mp-631257} |
| RD_950644273227_000 | computation | Reference Data From Materials Project: {formula:LaSiAs3,spaceGroup:Pcab,id:mp-648984} |
| RD_951575130576_000 | computation | AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_951728766825_000 | computation | Reference Data From Materials Project: {formula:SnHg6(As2Br3)2,spaceGroup:P2_13,id:mp-567185} |
| RD_952917209804_000 | computation | Reference Data From Materials Project: {formula:Na3NbAs2O9,spaceGroup:P2_1/c,id:mp-565593} |
| RD_953839379290_000 | computation | Reference Data From Materials Project: {formula:Mn(AsO3)2,spaceGroup:P-31m,id:mp-19409} |
| RD_953912487334_000 | computation | Reference Data From Materials Project: {formula:Ge4Te7As2,spaceGroup:R-3m,id:mp-568730} |
| RD_954225119839_000 | computation | Reference Data From Materials Project: {formula:LaZnAsO,spaceGroup:P4/nmm,id:mp-549589} |
| RD_954391389985_000 | computation | Reference Data From Materials Project: {formula:AsCS3N2F11,spaceGroup:P-1,id:mp-555986} |
| RD_954991882285_000 | computation | Reference Data From Materials Project: {formula:Ti3As,spaceGroup:Pm-3n,id:mp-12071} |
| RD_955157776204_000 | computation | Reference Data From Materials Project: {formula:Fe4As5O13,spaceGroup:P-1,id:mp-505012} |
| RD_956075548770_000 | computation | Reference Data From Materials Project: {formula:Hg3AsBrO4,spaceGroup:P2_13,id:mp-558945} |
| RD_956845905272_000 | computation | Reference Data From Materials Project: {formula:Er5Zr3(Ni4As3)4,spaceGroup:P-62m,id:mp-569804} |
| RD_958848805971_000 | computation | Reference Data From Materials Project: {formula:Li2NdAs2,spaceGroup:P-3m1,id:mp-7779} |
| RD_959777712416_000 | computation | Reference Data From Materials Project: {formula:TiAs,spaceGroup:P6_3/mmc,id:mp-1822} |
| RD_960145834635_000 | computation | Reference Data From Materials Project: {formula:As2PdO6,spaceGroup:P-31m,id:mp-6915} |
| RD_960271865104_000 | computation | Reference Data From Materials Project: {formula:Gd3As5O12,spaceGroup:I-43m,id:mp-768273} |
| RD_960462441511_000 | computation | Reference Data From Materials Project: {formula:GdAs2Pd3,spaceGroup:C2/m,id:mp-662714} |
| RD_961725070631_000 | computation | Reference Data From Materials Project: {formula:Hg6MoAs4Cl7,spaceGroup:Pa3,id:mp-568757} |
| RD_962216720816_000 | computation | Reference Data From Materials Project: {formula:Cu4As2O9,spaceGroup:P-1,id:mp-559159} |
| RD_962462420472_000 | computation | Reference Data From Materials Project: {formula:EuRbAsS3,spaceGroup:P2_1/c,id:mp-646129} |
| RD_962700485280_000 | computation | Reference Data From Materials Project: {formula:FeAs,spaceGroup:Pmnb,id:mp-427} |
| RD_963057323589_000 | computation | Reference Data From Materials Project: {formula:AgHg2AsO4,spaceGroup:Pmcb,id:mp-558188} |
| RD_963592632706_000 | computation | Reference Data From Materials Project: {formula:LiMgAs,spaceGroup:F-43m,id:mp-12558} |
| RD_963658819452_000 | computation | Reference Data From Materials Project: {formula:SbAsO4,spaceGroup:P2_1/m,id:mp-7784} |
| RD_963961365298_000 | computation | Reference Data From Materials Project: {formula:NaMoAsO6,spaceGroup:Pc2_1b,id:mp-622602} |
| RD_964258702643_000 | computation | Reference Data From Materials Project: {formula:Na6Zn3As4H6O19,spaceGroup:P2_13,id:mp-758925} |
| RD_964382766649_000 | computation | Reference Data From Materials Project: {formula:YAs,spaceGroup:Fm-3m,id:mp-933} |
| RD_964390832255_000 | computation | Reference Data From Materials Project: {formula:AsIF12,spaceGroup:Pa3,id:mp-555340} |
| RD_965174980804_000 | computation | Reference Data From Materials Project: {formula:Yb2Ni12As7,spaceGroup:P-6,id:mp-865923} |
| RD_965619216182_000 | computation | Reference Data From Materials Project: {formula:CaAs3,spaceGroup:P-1,id:mp-1900} |
| RD_965920678254_000 | computation | Reference Data From Materials Project: {formula:Na6Co2As(CO4)4,spaceGroup:Fd3,id:mp-771495} |
| RD_966236322202_000 | computation | Reference Data From Materials Project: {formula:Nd(NiAs)2,spaceGroup:P4/nmm,id:mp-20836} |
| RD_966283748937_000 | computation | Reference Data From Materials Project: {formula:Ba(AsPd)2,spaceGroup:P4/mmm,id:mp-8237} |
| RD_966366106422_000 | computation | Reference Data From Materials Project: {formula:Gd3AsO7,spaceGroup:Pnma,id:mp-768254} |
| RD_966809737189_000 | computation | Reference Data From Materials Project: {formula:ZrAsRu,spaceGroup:P-62m,id:mp-8221} |
| RD_967385962499_000 | computation | Reference Data From Materials Project: {formula:Rb2LiAsO4,spaceGroup:Cmc2_1,id:mp-14363} |
| RD_968442951099_000 | computation | Reference Data From Materials Project: {formula:La(ZnAs)3,spaceGroup:Pnma,id:mp-866648} |
| RD_968860028630_000 | computation | Reference Data From Materials Project: {formula:VAsRh,spaceGroup:Pmnb,id:mp-20395} |
| RD_969373343658_000 | computation | Reference Data From Materials Project: {formula:TeAs,spaceGroup:Fm-3m,id:mp-10051} |
| RD_969457272599_000 | computation | Reference Data From Materials Project: {formula:RbScAsO4F,spaceGroup:Pc2_1n,id:mp-15865} |
| RD_970534465670_000 | computation | Reference Data From Materials Project: {formula:Ti3As,spaceGroup:Pm-3n,id:mp-12071} |
| RD_971447101963_000 | computation | Reference Data From Materials Project: {formula:NaCrAsCO7,spaceGroup:P2_1,id:mp-773138} |
| RD_971788457973_000 | computation | Reference Data From Materials Project: {formula:Ba(AsRh)2,spaceGroup:I4/mmm,id:mp-568113} |
| RD_972346013557_000 | computation | Reference Data From Materials Project: {formula:MnCuAs,spaceGroup:Pmnb,id:mp-20107} |
| RD_973479622663_000 | computation | Reference Data From Materials Project: {formula:K5CuAs2,spaceGroup:P6_3/mmc,id:mp-14623} |
| RD_973858557590_000 | computation | Reference Data From Materials Project: {formula:MoAs,spaceGroup:Pmnb,id:mp-9998} |
| RD_974155753162_000 | computation | Reference Data From Materials Project: {formula:AsH3C(SF2)3,spaceGroup:P-1,id:mp-759958} |
| RD_974464030497_000 | computation | Reference Data From Materials Project: {formula:Cu3As2H2PbO10,spaceGroup:C2/c,id:mp-721072} |
| RD_974636236645_000 | computation | Reference Data From Materials Project: {formula:Hg4As2O7,spaceGroup:Pbnm,id:mp-30929} |
| RD_974893212158_000 | computation | Reference Data From Materials Project: {formula:NiAsSe,spaceGroup:P2_13,id:mp-10846} |
| RD_975455552175_000 | computation | Reference Data From Materials Project: {formula:Zn3TeAs2Pb3O14,spaceGroup:P321,id:mp-558298} |
| RD_975506723966_000 | computation | Reference Data From Materials Project: {formula:TlCoAs2,spaceGroup:Fm-3m,id:mp-631563} |
| RD_977710385104_000 | computation | Reference Data From Materials Project: {formula:Sr2As,spaceGroup:I4/mmm,id:mp-15697} |
| RD_977811293983_000 | computation | Reference Data From Materials Project: {formula:BAs,spaceGroup:F-43m,id:mp-10044} |
| RD_979342472491_000 | computation | Reference Data From Materials Project: {formula:Na6Mn2B4AsO16,spaceGroup:Fd3,id:mp-770785} |
| RD_979444796334_000 | computation | Reference Data From Materials Project: {formula:AsPdS,spaceGroup:P2_13,id:mp-10848} |
| RD_979757574206_000 | computation | Reference Data From Materials Project: {formula:Na6Bi2As(CO4)4,spaceGroup:Fd3,id:mp-769265} |
| RD_980923196809_000 | computation | Reference Data From Materials Project: {formula:La(CoAs)2,spaceGroup:I4/mmm,id:mp-569674} |
| RD_982145475801_000 | computation | Reference Data From Materials Project: {formula:Te2As2Se8S(OF6)2,spaceGroup:P2_1/c,id:mp-557236} |
| RD_983195687230_000 | computation | Reference Data From Materials Project: {formula:LaAsO4,spaceGroup:P2_1/c,id:mp-4917} |
| RD_983277008191_000 | computation | Reference Data From Materials Project: {formula:AsPd3Pb2,spaceGroup:Ccm2_1,id:mp-20257} |
| RD_983339031893_000 | computation | Reference Data From Materials Project: {formula:SrNd5Fe6(AsO)6,spaceGroup:P-1,id:mp-694989} |
| RD_984198456736_000 | computation | Reference Data From Materials Project: {formula:Li3AsO4,spaceGroup:P2_1nm,id:mp-9197} |
| RD_985179129959_000 | computation | Reference Data From Materials Project: {formula:Ni17(As3O16)2,spaceGroup:P2/m,id:mp-764249} |
| RD_985777817984_000 | computation | Reference Data From Materials Project: {formula:TiAs,spaceGroup:P6_3/mmc,id:mp-568908} |
| RD_986198318680_000 | computation | Reference Data From Materials Project: {formula:AsRh,spaceGroup:Pmnb,id:mp-22079} |
| RD_987830860750_000 | computation | Reference Data From Materials Project: {formula:Na4Bi2As(CO4)4,spaceGroup:Fddd,id:mp-769047} |
| RD_988569418904_000 | computation | Reference Data From Materials Project: {formula:UAs,spaceGroup:Fm-3m,id:mp-2104} |
| RD_988658568800_000 | computation | Reference Data From Materials Project: {formula:Cs12Nb(In2As3)3,spaceGroup:P-1,id:mp-582185} |
| RD_988710972655_000 | computation | Reference Data From Materials Project: {formula:Cu3AsS3,spaceGroup:I-43m,id:mp-504884} |
| RD_989223053955_000 | computation | Reference Data From Materials Project: {formula:La3AsI3,spaceGroup:I4_132,id:mp-29997} |
| RD_989336226855_000 | computation | Reference Data From Materials Project: {formula:Ge3(Te3As)2,spaceGroup:R-3m,id:mp-541312} |
| RD_989428739882_000 | computation | Reference Data From Materials Project: {formula:Na3Fe2(AsO4)3,spaceGroup:Ia-3d,id:mp-566314} |
| RD_990202677027_000 | computation | Reference Data From Materials Project: {formula:Rb2As2Pt,spaceGroup:Cmcm,id:mp-13445} |
| RD_990887099908_000 | computation | Reference Data From Materials Project: {formula:HfAs,spaceGroup:P6_3/mmc,id:mp-9954} |
| RD_991105262276_000 | computation | Reference Data From Materials Project: {formula:MnFeAs,spaceGroup:P-62m,id:mp-4238} |
| RD_991592205503_000 | computation | Reference Data From Materials Project: {formula:Li3FeBAsO7,spaceGroup:P2_1/m,id:mp-771423} |
| RD_991698000458_000 | computation | Reference Data From Materials Project: {formula:CuAs2PbO7,spaceGroup:P2_1/c,id:mp-21560} |
| RD_991972437118_000 | computation | Reference Data From Materials Project: {formula:RbAsSe2,spaceGroup:C2/c,id:mp-28562} |
| RD_992246597784_000 | computation | Reference Data From Materials Project: {formula:As3Ir,spaceGroup:Im3,id:mp-540912} |
| RD_993562422469_000 | computation | Reference Data From Materials Project: {formula:Sr(AsO3)2,spaceGroup:P-31m,id:mp-754118} |
| RD_994002042636_000 | computation | Reference Data From Materials Project: {formula:Na2SbAsCO7,spaceGroup:P2_1/m,id:mp-771166} |
| RD_994386212944_000 | computation | Reference Data From Materials Project: {formula:Na(SnAs)2,spaceGroup:R-3m,id:mp-9378} |
| RD_994730571508_000 | computation | Reference Data From Materials Project: {formula:Sr5As3H,spaceGroup:P6_3/mcm,id:mp-24338} |
| RD_995158453892_000 | computation | Reference Data From Materials Project: {formula:K4Cu3As4(HO8)2,spaceGroup:P2_1/c,id:mp-707485} |
| RD_995329348903_000 | computation | Reference Data From Materials Project: {formula:Cs3Nb2AsSe11,spaceGroup:Cc,id:mp-683903} |
| RD_995330292014_000 | computation | AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_996185490218_000 | computation | AsGa in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_997516630028_000 | computation | Reference Data From Materials Project: {formula:NpAs,spaceGroup:Pm-3m,id:mp-20895} |
| RD_998230944965_000 | computation | Reference Data From Materials Project: {formula:KAg3As2S5,spaceGroup:Pcmn,id:mp-561304} |
| RD_998324332812_000 | computation | Reference Data From Materials Project: {formula:AsSe3(NF3)2,spaceGroup:P-1,id:mp-556763} |
| RD_998351841007_000 | computation | Reference Data From Materials Project: {formula:GaAs,spaceGroup:F-43m,id:mp-2534} |
| RD_998489329996_000 | computation | Reference Data From Materials Project: {formula:K5Ag2(AsSe3)3,spaceGroup:Pnma,id:mp-570836} |
| RD_998994472355_000 | computation | Reference Data From Materials Project: {formula:SbAsF8,spaceGroup:P2_1/m,id:mp-27317} |
| RD_999416980608_000 | computation | As in AFLOW crystal prototype A_hR2_166_c (alpha-As). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| Reference Data | Data Method | Description |
|---|---|---|
| RD_000029852774_000 | computation | Reference Data From Materials Project: {formula:Y3Sb4Au3,spaceGroup:I-43d,id:mp-13654} |
| RD_000403940262_000 | computation | Reference Data From Materials Project: {formula:Rb3Au7,spaceGroup:Cmmm,id:mp-31144} |
| RD_000807634401_000 | computation | Reference Data From Materials Project: {formula:K5As2Au,spaceGroup:P6_3/mmc,id:mp-8683} |
| RD_001244822392_000 | computation | Reference Data From Materials Project: {formula:Sb3Au,spaceGroup:Im-3m,id:mp-29665} |
| RD_001696358521_000 | computation | Reference Data From Materials Project: {formula:YInAu2,spaceGroup:Fm-3m,id:mp-22493} |
| RD_002722191508_000 | computation | Reference Data From Materials Project: {formula:CaAu5,spaceGroup:F-43m,id:mp-568920} |
| RD_004429814673_000 | computation | Reference Data From Materials Project: {formula:Zn(AuF4)2,spaceGroup:P2_1/c,id:mp-17512} |
| RD_005226974456_000 | computation | Reference Data From Materials Project: {formula:TlAuF6,spaceGroup:P4_12_12,id:mp-30308} |
| RD_005945872528_000 | computation | Reference Data From Materials Project: {formula:Ca2In4Au3,spaceGroup:Pmcn,id:mp-630875} |
| RD_007915865632_000 | computation | Reference Data From Materials Project: {formula:HoPbAu,spaceGroup:F-43m,id:mp-30389} |
| RD_008780359367_000 | computation | Reference Data From Materials Project: {formula:LuInAu2,spaceGroup:Fm-3m,id:mp-30393} |
| RD_009031508016_000 | computation | Reference Data From Materials Project: {formula:Ba4Ge20Au3,spaceGroup:Pm-3n,id:mp-21839} |
| RD_009551852420_000 | computation | Reference Data From Materials Project: {formula:TmSnAu,spaceGroup:P6_3mc,id:mp-16741} |
| RD_009659536478_000 | computation | Reference Data From Materials Project: {formula:Rb3AuO,spaceGroup:Pm-3m,id:mp-4405} |
| RD_009972762303_000 | computation | Reference Data From Materials Project: {formula:NaAcAu2,spaceGroup:Fm-3m,id:mp-864803} |
| RD_010158662824_000 | computation | Reference Data From Materials Project: {formula:Cs7Au5O2,spaceGroup:Immm,id:mp-510075} |
| RD_010583615301_000 | computation | Reference Data From Materials Project: {formula:SnAu,spaceGroup:P6_3/mmc,id:mp-1775} |
| RD_010796726918_000 | computation | Reference Data From Materials Project: {formula:HoGeAu,spaceGroup:F-43m,id:mp-13308} |
| RD_011060806617_000 | computation | Reference Data From Materials Project: {formula:Sc2AgAu,spaceGroup:Fm-3m,id:mp-862703} |
| RD_012687706371_000 | computation | Reference Data From Materials Project: {formula:CsAuBr3,spaceGroup:I4/mmm,id:mp-569548} |
| RD_012944302360_000 | computation | Reference Data From Materials Project: {formula:YbSnAu2,spaceGroup:Fm-3m,id:mp-865995} |
| RD_014787917122_000 | computation | Reference Data From Materials Project: {formula:YAu,spaceGroup:Pm-3m,id:mp-11261} |
| RD_015491370093_000 | computation | Reference Data From Materials Project: {formula:ThSnAu2,spaceGroup:Fm-3m,id:mp-866174} |
| RD_016992633341_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:Pm-3m,id:mp-2757} |
| RD_017694732178_000 | computation | Reference Data From Materials Project: {formula:Ba2SbAu,spaceGroup:Fm-3m,id:mp-862631} |
| RD_018560915645_000 | computation | Reference Data From Materials Project: {formula:Ag3AuSe2,spaceGroup:I4_132,id:mp-3172} |
| RD_018704980040_000 | computation | Reference Data From Materials Project: {formula:P10Au7I,spaceGroup:P-31m,id:mp-570238} |
| RD_019602238213_000 | computation | Reference Data From Materials Project: {formula:Te3Au2,spaceGroup:P1,id:mp-645449} |
| RD_019850107379_000 | computation | Reference Data From Materials Project: {formula:YSiAu,spaceGroup:P6_3mc,id:mp-9025} |
| RD_021444694917_000 | computation | Au in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_021450660555_000 | computation | AuCd in AFLOW crystal prototype A5B8_cI52_217_ce_cg (gammaBrass). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_021990358458_000 | computation | Reference Data From Materials Project: {formula:CsAu3Se2,spaceGroup:P-3m1,id:mp-9386} |
| RD_022354083208_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:Pm-3m,id:mp-1264} |
| RD_023234710262_000 | computation | Reference Data From Materials Project: {formula:Pm2SnAu,spaceGroup:Fm-3m,id:mp-865467} |
| RD_024771459788_000 | computation | Reference Data From Materials Project: {formula:HoPbAu,spaceGroup:F-43m,id:mp-30389} |
| RD_024919698065_000 | computation | Reference Data From Materials Project: {formula:TbSnAu2,spaceGroup:Fm-3m,id:mp-864599} |
| RD_025509034902_000 | computation | Reference Data From Materials Project: {formula:In4Au9,spaceGroup:P-43m,id:mp-680545} |
| RD_027512621232_000 | computation | Reference Data From Materials Project: {formula:HfZnAu2,spaceGroup:Fm-3m,id:mp-866117} |
| RD_028740877944_000 | computation | Reference Data From Materials Project: {formula:Zr3Au,spaceGroup:Pm-3n,id:mp-11263} |
| RD_028775002219_000 | computation | Reference Data From Materials Project: {formula:ErSnAu,spaceGroup:F-43m,id:mp-5640} |
| RD_029003064998_000 | computation | Reference Data From Materials Project: {formula:NaTeAu,spaceGroup:P6_3/mmc,id:mp-9264} |
| RD_029839292427_000 | computation | Reference Data From Materials Project: {formula:Mn9Au31,spaceGroup:P4/m,id:mp-30411} |
| RD_030536796349_000 | computation | Reference Data From Materials Project: {formula:LuMgAu2,spaceGroup:Fm-3m,id:mp-865861} |
| RD_031758615477_000 | computation | Reference Data From Materials Project: {formula:Na3In2Au,spaceGroup:Fd-3m,id:mp-542680} |
| RD_033080941548_000 | computation | Reference Data From Materials Project: {formula:Sc2CuAu,spaceGroup:Fm-3m,id:mp-867756} |
| RD_033580279774_000 | computation | Reference Data From Materials Project: {formula:Rb3Sn4Au,spaceGroup:Pnmm,id:mp-17401} |
| RD_033793535273_000 | computation | Reference Data From Materials Project: {formula:AlAu,spaceGroup:Pm-3m,id:mp-10871} |
| RD_034176774275_000 | computation | Reference Data From Materials Project: {formula:TeAuBr8,spaceGroup:P-1,id:mp-541134} |
| RD_034901676559_000 | computation | Reference Data From Materials Project: {formula:PaAu3,spaceGroup:Fm-3m,id:mp-865858} |
| RD_035904466646_000 | computation | Reference Data From Materials Project: {formula:KAuC2(SN)2,spaceGroup:C2/c,id:mp-641962} |
| RD_036590261146_000 | computation | Reference Data From Materials Project: {formula:Na2Au,spaceGroup:I4/mcm,id:mp-1363} |
| RD_036993804544_000 | computation | Reference Data From Materials Project: {formula:GdMgAu,spaceGroup:P-62m,id:mp-580154} |
| RD_037504339518_000 | computation | Reference Data From Materials Project: {formula:EuCdAu2,spaceGroup:Fm-3m,id:mp-866297} |
| RD_037851792822_000 | computation | Reference Data From Materials Project: {formula:Li2GaAu,spaceGroup:F-43m,id:mp-30381} |
| RD_038370139457_000 | computation | Reference Data From Materials Project: {formula:Tb5BiAu2,spaceGroup:I4/mcm,id:mp-570187} |
| RD_038912663380_000 | computation | Reference Data From Materials Project: {formula:USiAu,spaceGroup:P-6m2,id:mp-9487} |
| RD_038922107076_000 | computation | Reference Data From Materials Project: {formula:Li2TlAu,spaceGroup:F-43m,id:mp-30406} |
| RD_039031606982_000 | computation | Reference Data From Materials Project: {formula:PmTlAu2,spaceGroup:Fm-3m,id:mp-862965} |
| RD_039333786520_000 | computation | Reference Data From Materials Project: {formula:PaGaAu2,spaceGroup:Fm-3m,id:mp-864716} |
| RD_039685049619_000 | computation | Reference Data From Materials Project: {formula:Zn2RhAu,spaceGroup:Fm-3m,id:mp-864844} |
| RD_039789926649_000 | computation | Reference Data From Materials Project: {formula:K(Sn3Au2)2,spaceGroup:Fddd,id:mp-570068} |
| RD_041328842536_000 | computation | Reference Data From Materials Project: {formula:ZrInAu2,spaceGroup:Fm-3m,id:mp-581707} |
| RD_041537353980_000 | computation | Reference Data From Materials Project: {formula:AcHgAu2,spaceGroup:Fm-3m,id:mp-861966} |
| RD_042041948783_000 | computation | Reference Data From Materials Project: {formula:AuBr,spaceGroup:I4_1/amd,id:mp-570140} |
| RD_042855885969_000 | computation | Reference Data From Materials Project: {formula:PaPbAu2,spaceGroup:Fm-3m,id:mp-862813} |
| RD_043819220907_000 | computation | Reference Data From Materials Project: {formula:Mg(AuF4)2,spaceGroup:P2_1/c,id:mp-8708} |
| RD_044549071478_000 | computation | Reference Data From Materials Project: {formula:Bi4Au2O9,spaceGroup:Pcab,id:mp-559422} |
| RD_046093367340_000 | computation | AlAu in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_046757650095_000 | computation | Reference Data From Materials Project: {formula:Ce2P3Au,spaceGroup:Pmnb,id:mp-628664} |
| RD_047839867423_000 | computation | Reference Data From Materials Project: {formula:HoMgAu2,spaceGroup:Fm-3m,id:mp-864653} |
| RD_047891919010_000 | computation | Reference Data From Materials Project: {formula:CeCdAu,spaceGroup:P-62m,id:mp-11082} |
| RD_048235797432_000 | computation | Reference Data From Materials Project: {formula:Be2RhAu,spaceGroup:Fm-3m,id:mp-866024} |
| RD_048527121504_000 | computation | Reference Data From Materials Project: {formula:LiAuF4,spaceGroup:P2/c,id:mp-554442} |
| RD_049305467381_000 | computation | Reference Data From Materials Project: {formula:RbAuC2,spaceGroup:P4/mmm,id:mp-10421} |
| RD_049423347480_000 | computation | Reference Data From Materials Project: {formula:BiAuBr6,spaceGroup:P-1,id:mp-541774} |
| RD_049580402819_000 | computation | Reference Data From Materials Project: {formula:Ag(AuF4)2,spaceGroup:P2_1/c,id:mp-18125} |
| RD_050402647298_000 | computation | Reference Data From Materials Project: {formula:Sb3Au,spaceGroup:Im-3m,id:mp-29665} |
| RD_050853803830_000 | computation | Reference Data From Materials Project: {formula:Th2Au,spaceGroup:I4/mcm,id:mp-1629} |
| RD_054780369774_000 | computation | Reference Data From Materials Project: {formula:Li2HgAu,spaceGroup:Fm-3m,id:mp-865714} |
| RD_054800121692_000 | computation | Reference Data From Materials Project: {formula:LiSbAu,spaceGroup:F-43m,id:mp-12564} |
| RD_055025732582_000 | computation | Reference Data From Materials Project: {formula:PAuClF3,spaceGroup:Pcmn,id:mp-558523} |
| RD_057211268713_000 | computation | Reference Data From Materials Project: {formula:AuBr,spaceGroup:P4_2/ncm,id:mp-505366} |
| RD_058517010946_000 | computation | Reference Data From Materials Project: {formula:CsAu3S2,spaceGroup:P-3m1,id:mp-9384} |
| RD_059105631402_000 | computation | Reference Data From Materials Project: {formula:SbAsAuF9,spaceGroup:P2_1/c,id:mp-758923} |
| RD_059217729759_000 | computation | Reference Data From Materials Project: {formula:LaSb2Au,spaceGroup:P4/nmm,id:mp-675224} |
| RD_059515070412_000 | computation | Reference Data From Materials Project: {formula:Mg13Au41,spaceGroup:P6_3/mcm,id:mp-30407} |
| RD_060383107125_000 | computation | Reference Data From Materials Project: {formula:SrBiAu,spaceGroup:P6_3/mmc,id:mp-31141} |
| RD_061234287290_000 | computation | Reference Data From Materials Project: {formula:TbAl7Au3,spaceGroup:R-3c,id:mp-11033} |
| RD_061474415711_000 | computation | Reference Data From Materials Project: {formula:LiTmAu2,spaceGroup:Fm-3m,id:mp-861664} |
| RD_061666643594_000 | computation | Reference Data From Materials Project: {formula:AuCS2Cl3,spaceGroup:C2/c,id:mp-556112} |
| RD_062438070674_000 | computation | Reference Data From Materials Project: {formula:PrAu6,spaceGroup:C2/c,id:mp-569032} |
| RD_063391422193_000 | computation | AlAu in AFLOW crystal prototype A2B_cF12_225_c_a (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_063413967403_000 | computation | Reference Data From Materials Project: {formula:Rb(InAu2)2,spaceGroup:I4/mcm,id:mp-20804} |
| RD_064026301378_000 | computation | Reference Data From Materials Project: {formula:ScAuO2,spaceGroup:P6_3/mmc,id:mp-11023} |
| RD_064461287283_000 | computation | Reference Data From Materials Project: {formula:LiSn4Au3,spaceGroup:P6_3mc,id:mp-31301} |
| RD_064819685758_000 | computation | Reference Data From Materials Project: {formula:UAu2,spaceGroup:P6/mmm,id:mp-12072} |
| RD_065682469099_000 | computation | Reference Data From Materials Project: {formula:CeTlAu2,spaceGroup:Fm-3m,id:mp-867361} |
| RD_065741814228_000 | computation | Reference Data From Materials Project: {formula:Ga2Au,spaceGroup:Fm-3m,id:mp-2776} |
| RD_066407757805_000 | computation | Reference Data From Materials Project: {formula:Na3AuO2,spaceGroup:P4_2/mnm,id:mp-28365} |
| RD_066668011981_000 | computation | Reference Data From Materials Project: {formula:KAuF6,spaceGroup:R-3m,id:mp-12442} |
| RD_066900284183_000 | computation | Reference Data From Materials Project: {formula:Pm2IrAu,spaceGroup:Fm-3m,id:mp-863715} |
| RD_067126695251_000 | computation | Au in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_067748356267_000 | computation | Reference Data From Materials Project: {formula:HfGaAu,spaceGroup:P-6m2,id:mp-12952} |
| RD_068984591511_000 | computation | Reference Data From Materials Project: {formula:CaIn2Au,spaceGroup:Cmcm,id:mp-22602} |
| RD_070224585452_000 | computation | Reference Data From Materials Project: {formula:PmHgAu2,spaceGroup:Fm-3m,id:mp-862912} |
| RD_070458386225_000 | computation | Reference Data From Materials Project: {formula:Yb2PdAu,spaceGroup:Fm-3m,id:mp-864800} |
| RD_070794615846_000 | computation | Reference Data From Materials Project: {formula:NbAu2,spaceGroup:P6/mmm,id:mp-1606} |
| RD_071738483523_000 | computation | Reference Data From Materials Project: {formula:CaBiAu,spaceGroup:F-43m,id:mp-568398} |
| RD_072279004191_000 | computation | Reference Data From Materials Project: {formula:RbAuSe,spaceGroup:Ccmm,id:mp-9731} |
| RD_073185079378_000 | computation | Reference Data From Materials Project: {formula:MgCdAu2,spaceGroup:Fm-3m,id:mp-865150} |
| RD_073894761150_000 | computation | Reference Data From Materials Project: {formula:AcPbAu2,spaceGroup:Fm-3m,id:mp-867422} |
| RD_073977890992_000 | computation | Unstable twinning energy (gamma_ut) fcc Au at zero temperature computed using density functional theory (DFT) by Kibey et al. (2007). |
| RD_074297955866_000 | computation | Reference Data From Materials Project: {formula:ScAuO2,spaceGroup:P6_3/mmc,id:mp-11023} |
| RD_074406061613_000 | computation | Reference Data From Materials Project: {formula:KAuI3,spaceGroup:P2_1/c,id:mp-31045} |
| RD_074942655584_000 | computation | Reference Data From Materials Project: {formula:PmAlAu2,spaceGroup:Fm-3m,id:mp-862836} |
| RD_075463328391_000 | computation | AuCd in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_076101328843_000 | computation | Reference Data From Materials Project: {formula:LiAuI4,spaceGroup:P2_1/c,id:mp-29520} |
| RD_076143357280_000 | computation | Reference Data From Materials Project: {formula:Sr2SbAu,spaceGroup:Fm-3m,id:mp-867168} |
| RD_076365806587_000 | computation | Reference Data From Materials Project: {formula:Ba2SbAu,spaceGroup:Fm-3m,id:mp-862631} |
| RD_077387237278_000 | computation | Reference Data From Materials Project: {formula:Ta5AuS,spaceGroup:F-43m,id:mp-669370} |
| RD_078000433071_000 | computation | Reference Data From Materials Project: {formula:Al3Au8,spaceGroup:R-3c,id:mp-16480} |
| RD_078184997458_000 | computation | Reference Data From Materials Project: {formula:PuHgAu2,spaceGroup:Fm-3m,id:mp-862739} |
| RD_078267318541_000 | computation | Reference Data From Materials Project: {formula:K3P2AuSe8,spaceGroup:Cc,id:mp-866660} |
| RD_079081234904_000 | computation | Reference Data From Materials Project: {formula:Be5Au,spaceGroup:F-43m,id:mp-1220} |
| RD_079895616308_000 | computation | Reference Data From Materials Project: {formula:LaGeAu,spaceGroup:P6_3mc,id:mp-610631} |
| RD_079917974344_000 | computation | Reference Data From Materials Project: {formula:KAuI4,spaceGroup:P2_1/c,id:mp-29519} |
| RD_080097564100_000 | computation | Reference Data From Materials Project: {formula:Zn3Au,spaceGroup:Pm-3n,id:mp-30424} |
| RD_080960368484_000 | computation | Reference Data From Materials Project: {formula:DyGeAu,spaceGroup:P6_3mc,id:mp-22149} |
| RD_082794335055_000 | computation | Reference Data From Materials Project: {formula:HoAl7Au3,spaceGroup:R-3c,id:mp-16621} |
| RD_083012407824_000 | computation | Reference Data From Materials Project: {formula:Rb4Au6S5,spaceGroup:P-62c,id:mp-29090} |
| RD_083405815751_000 | computation | Reference Data From Materials Project: {formula:CaAsAu,spaceGroup:P6_3/mmc,id:mp-3927} |
| RD_083656350138_000 | computation | Reference Data From Materials Project: {formula:MnAu2,spaceGroup:I4/mmm,id:mp-11252} |
| RD_083748894126_000 | computation | Reference Data From Materials Project: {formula:CsAuF4,spaceGroup:Immm,id:mp-572767} |
| RD_085204958893_000 | computation | Reference Data From Materials Project: {formula:Pu2BiAu,spaceGroup:Fm-3m,id:mp-861929} |
| RD_085233402427_000 | computation | Reference Data From Materials Project: {formula:TlPAuSe3,spaceGroup:C2/m,id:mp-569287} |
| RD_086464456930_000 | computation | Reference Data From Materials Project: {formula:LiTmAu2,spaceGroup:Fm-3m,id:mp-861664} |
| RD_086466999785_000 | computation | Reference Data From Materials Project: {formula:LiMgSnAu,spaceGroup:F-43m,id:mp-7554} |
| RD_086628793500_000 | computation | Reference Data From Materials Project: {formula:Na2LiAu3,spaceGroup:P6_3/mmc,id:mp-12815} |
| RD_087208706060_000 | computation | Reference Data From Materials Project: {formula:ZrAlAu2,spaceGroup:Fm-3m,id:mp-864878} |
| RD_092073770837_000 | computation | Reference Data From Materials Project: {formula:Ca3AuN,spaceGroup:Pm-3m,id:mp-9040} |
| RD_092167581307_000 | computation | Reference Data From Materials Project: {formula:Na5AuSe12,spaceGroup:P2_1,id:mp-29198} |
| RD_093119765499_000 | computation | Reference Data From Materials Project: {formula:AuBrF6,spaceGroup:P2_1,id:mp-30159} |
| RD_093754924279_000 | computation | Reference Data From Materials Project: {formula:YbInAu,spaceGroup:P-62m,id:mp-570912} |
| RD_094506287255_000 | computation | Reference Data From Materials Project: {formula:K3AuO,spaceGroup:Pm-3m,id:mp-9200} |
| RD_094849766900_000 | computation | Reference Data From Materials Project: {formula:CsAu,spaceGroup:Pm-3m,id:mp-2667} |
| RD_095263574830_000 | computation | Reference Data From Materials Project: {formula:Li3AuO3,spaceGroup:P4_2/mnm,id:mp-7471} |
| RD_095368694404_000 | computation | Reference Data From Materials Project: {formula:BeAu,spaceGroup:P2_13,id:mp-30365} |
| RD_096880101095_000 | computation | Reference Data From Materials Project: {formula:EuPAu,spaceGroup:P6_3/mmc,id:mp-22783} |
| RD_098658234707_000 | computation | Reference Data From Materials Project: {formula:EuCdAu,spaceGroup:Pmnb,id:mp-11084} |
| RD_100229559510_000 | computation | Reference Data From Materials Project: {formula:Sr2PtAu,spaceGroup:Fm-3m,id:mp-862747} |
| RD_100895093826_000 | computation | Reference Data From Materials Project: {formula:DyInAu,spaceGroup:P-62m,id:mp-22177} |
| RD_101812040281_000 | computation | Reference Data From Materials Project: {formula:CeSnAu,spaceGroup:P6_3mc,id:mp-11081} |
| RD_101878282262_000 | computation | Reference Data From Materials Project: {formula:Li2AgAu,spaceGroup:Fm-3m,id:mp-865879} |
| RD_102124315640_000 | computation | Reference Data From Materials Project: {formula:ErInAu2,spaceGroup:Fm-3m,id:mp-30376} |
| RD_102454355111_000 | computation | Reference Data From Materials Project: {formula:LuMgAu2,spaceGroup:Fm-3m,id:mp-865861} |
| RD_102966177001_000 | computation | Reference Data From Materials Project: {formula:PmAu3,spaceGroup:P6_3/mmc,id:mp-862985} |
| RD_103004424525_000 | computation | Reference Data From Materials Project: {formula:Sc2ZnAu,spaceGroup:Fm-3m,id:mp-862257} |
| RD_103065633505_000 | computation | Reference Data From Materials Project: {formula:Eu(AlAu)2,spaceGroup:P4/nmm,id:mp-13485} |
| RD_103483421074_000 | computation | Reference Data From Materials Project: {formula:ZrGaAu,spaceGroup:P-6m2,id:mp-12951} |
| RD_103497879467_000 | computation | Reference Data From Materials Project: {formula:GdAl4Ge2Au,spaceGroup:R-3m,id:mp-672244} |
| RD_103856550983_000 | computation | Reference Data From Materials Project: {formula:PrAu2,spaceGroup:Imcm,id:mp-30415} |
| RD_104580786833_000 | computation | Reference Data From Materials Project: {formula:AlAu2,spaceGroup:Pmnn,id:mp-30550} |
| RD_104639933782_000 | computation | Reference Data From Materials Project: {formula:CrTe4Au,spaceGroup:P2/m,id:mp-12743} |
| RD_105551806957_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Au, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-81) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_106719239472_000 | computation | Reference Data From Materials Project: {formula:TmAu,spaceGroup:Pm-3m,id:mp-447} |
| RD_106888300789_000 | computation | AlAu in AFLOW crystal prototype AB2_oP30_58_a2g_5g. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_107932913821_000 | computation | Reference Data From Materials Project: {formula:Ba2AsAu,spaceGroup:Fm-3m,id:mp-861937} |
| RD_109506229322_000 | computation | Reference Data From Materials Project: {formula:ScSiAu,spaceGroup:P-6m2,id:mp-9023} |
| RD_110343412666_000 | computation | Reference Data From Materials Project: {formula:ZrAu4,spaceGroup:Pmnb,id:mp-17813} |
| RD_110792885125_000 | computation | AuCu in AFLOW crystal prototype AB3_cP4_221_a_c (Cu3Au). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_111042281343_000 | computation | Reference Data From Materials Project: {formula:ScAuO2,spaceGroup:P6_3/mmc,id:mp-11023} |
| RD_111127127416_000 | computation | Reference Data From Materials Project: {formula:RbAu(SeO4)2,spaceGroup:C2/m,id:mp-557122} |
| RD_111150619605_000 | computation | Reference Data From Materials Project: {formula:AlAu2,spaceGroup:Pmnb,id:mp-569558} |
| RD_111178915526_000 | computation | Reference Data From Materials Project: {formula:Ca2BiAu,spaceGroup:Fm-3m,id:mp-867799} |
| RD_111460529695_000 | computation | Reference Data From Materials Project: {formula:YbGaAu2,spaceGroup:Fm-3m,id:mp-865748} |
| RD_111880575027_000 | computation | Reference Data From Materials Project: {formula:NaSmAu2,spaceGroup:Fm-3m,id:mp-865111} |
| RD_112097844714_000 | computation | Reference Data From Materials Project: {formula:Mg3Au,spaceGroup:P-3c1,id:mp-1557} |
| RD_112342002393_000 | computation | Reference Data From Materials Project: {formula:La(SiAu)2,spaceGroup:I4/mmm,id:mp-11859} |
| RD_113050711045_000 | computation | Reference Data From Materials Project: {formula:AuCl3,spaceGroup:P2_1/c,id:mp-27647} |
| RD_113152694359_000 | computation | Reference Data From Materials Project: {formula:DySnAu2,spaceGroup:Fm-3m,id:mp-866287} |
| RD_113805575800_000 | computation | Reference Data From Materials Project: {formula:Mn3Au,spaceGroup:P4/mmm,id:mp-640079} |
| RD_114239290524_000 | computation | Reference Data From Materials Project: {formula:GdPbAu,spaceGroup:F-43m,id:mp-20415} |
| RD_114531858814_000 | computation | Reference Data From Materials Project: {formula:Ba4Si20Au3,spaceGroup:Pm-3n,id:mp-17815} |
| RD_115036610882_000 | computation | Reference Data From Materials Project: {formula:LuSiAu,spaceGroup:P-6m2,id:mp-9024} |
| RD_116356313905_000 | computation | Reference Data From Materials Project: {formula:NbAu2,spaceGroup:P6/mmm,id:mp-1606} |
| RD_116457256614_000 | computation | Reference Data From Materials Project: {formula:SmInAu,spaceGroup:P-62m,id:mp-621351} |
| RD_117646418971_000 | computation | Reference Data From Materials Project: {formula:TlPd2Au,spaceGroup:Fm-3m,id:mp-865232} |
| RD_117859635969_000 | computation | Reference Data From Materials Project: {formula:LiDyAu2,spaceGroup:Fm-3m,id:mp-861885} |
| RD_118442041034_000 | computation | Reference Data From Materials Project: {formula:Bi2OsAu,spaceGroup:Fm-3m,id:mp-631571} |
| RD_119909540505_000 | computation | Reference Data From Materials Project: {formula:Ag3AuS2,spaceGroup:P1,id:mp-34982} |
| RD_121104546079_000 | computation | Reference Data From Materials Project: {formula:SmCdAu2,spaceGroup:Fm-3m,id:mp-867882} |
| RD_121572619623_000 | computation | AlAu in AFLOW crystal prototype A2B_cF12_225_c_a (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_122412962871_000 | computation | Reference Data From Materials Project: {formula:Au2O3,spaceGroup:F2dd,id:mp-27253} |
| RD_122500960207_000 | computation | Reference Data From Materials Project: {formula:Li3Au,spaceGroup:Fm-3m,id:mp-11247} |
| RD_123065730161_000 | computation | Reference Data From Materials Project: {formula:Mg3Au,spaceGroup:P6_3cm,id:mp-17783} |
| RD_123510088069_000 | computation | Reference Data From Materials Project: {formula:TmAu,spaceGroup:Pm-3m,id:mp-447} |
| RD_124137669713_000 | computation | Reference Data From Materials Project: {formula:AgAuO3,spaceGroup:Fd-3m,id:mp-776165} |
| RD_124836165056_000 | computation | Reference Data From Materials Project: {formula:Be5Au,spaceGroup:F-43m,id:mp-1220} |
| RD_126857331616_000 | computation | Reference Data From Materials Project: {formula:AgAu3,spaceGroup:Pm-3m,id:mp-867303} |
| RD_127503553649_000 | computation | Reference Data From Materials Project: {formula:PmGeAu2,spaceGroup:Fm-3m,id:mp-862909} |
| RD_127770164926_000 | computation | AuPd in AFLOW crystal prototype AB3_cP4_221_a_c (Cu3Au). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_127840927850_000 | computation | Reference Data From Materials Project: {formula:PmHgAu2,spaceGroup:Fm-3m,id:mp-862912} |
| RD_128590355319_000 | computation | Reference Data From Materials Project: {formula:AuXe2F17,spaceGroup:Pmnb,id:mp-644828} |
| RD_130761842004_000 | computation | Reference Data From Materials Project: {formula:YbAlAu,spaceGroup:Pmnb,id:mp-12784} |
| RD_130867935410_000 | computation | Reference Data From Materials Project: {formula:AuS5N5Cl4,spaceGroup:P2_1/m,id:mp-561470} |
| RD_130941845958_000 | computation | Reference Data From Materials Project: {formula:LaCdAu,spaceGroup:P-62m,id:mp-542251} |
| RD_131798649728_000 | computation | Reference Data From Materials Project: {formula:CuAuSe4,spaceGroup:P2_1/m,id:mp-30151} |
| RD_131929490344_000 | computation | Reference Data From Materials Project: {formula:LuInAu2,spaceGroup:Fm-3m,id:mp-30393} |
| RD_131961328832_000 | computation | Reference Data From Materials Project: {formula:AlCuAu2,spaceGroup:Fm-3m,id:mp-867306} |
| RD_133193295981_000 | computation | Reference Data From Materials Project: {formula:Li2ZnAu,spaceGroup:Fm-3m,id:mp-865871} |
| RD_133663226431_000 | computation | Reference Data From Materials Project: {formula:LiSnAu,spaceGroup:P6_3/mmc,id:mp-11977} |
| RD_134423961098_000 | computation | AuCd in AFLOW crystal prototype AB_hP18_157_ab2c_ab2c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_135314059601_000 | computation | Reference Data From Materials Project: {formula:Eu2PtAu,spaceGroup:Fm-3m,id:mp-867502} |
| RD_135379600553_000 | computation | Reference Data From Materials Project: {formula:EuAu5,spaceGroup:P6/mmm,id:mp-510098} |
| RD_135406791013_000 | computation | Reference Data From Materials Project: {formula:Na3In2Au,spaceGroup:Fd-3m,id:mp-542680} |
| RD_135980909480_000 | computation | Reference Data From Materials Project: {formula:HoGeAu,spaceGroup:P6_3mc,id:mp-5519} |
| RD_137106436688_000 | computation | Reference Data From Materials Project: {formula:Ce3Sb3Au2,spaceGroup:P6_3/mmc,id:mp-569941} |
| RD_137628389963_000 | computation | Reference Data From Materials Project: {formula:BaSbAu,spaceGroup:P6_3/mmc,id:mp-10769} |
| RD_138611389185_000 | computation | Reference Data From Materials Project: {formula:K3PbAu5,spaceGroup:Imcm,id:mp-31471} |
| RD_140566448513_000 | computation | AuCu in AFLOW crystal prototype AB3_cP4_221_a_c (Cu3Au). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_140807469564_000 | computation | Reference Data From Materials Project: {formula:Pr6Fe13Au,spaceGroup:I4/mcm,id:mp-4585} |
| RD_141430866112_000 | computation | AuPd in AFLOW crystal prototype A3B_cP4_221_c_a (Cu3Au). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_142393522104_000 | computation | Reference Data From Materials Project: {formula:H8AuC2S2N4ClO4,spaceGroup:Pcca,id:mp-721059} |
| RD_144792412258_000 | computation | AlAu in AFLOW crystal prototype AB_mP8_11_2e_2e. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_144891531585_000 | computation | Reference Data From Materials Project: {formula:Li2BiAu,spaceGroup:F-43m,id:mp-567076} |
| RD_144968499512_000 | computation | Reference Data From Materials Project: {formula:Te2AuCl,spaceGroup:Cmcm,id:mp-27490} |
| RD_145686413140_000 | computation | Reference Data From Materials Project: {formula:RbAuF4,spaceGroup:I4/mcm,id:mp-3419} |
| RD_145765035284_000 | computation | Reference Data From Materials Project: {formula:Mg2RhAu,spaceGroup:Fm-3m,id:mp-864965} |
| RD_146191819460_000 | computation | Reference Data From Materials Project: {formula:YbAu2F9,spaceGroup:Pcan,id:mp-561845} |
| RD_147082293375_000 | computation | Reference Data From Materials Project: {formula:PmPbAu2,spaceGroup:Fm-3m,id:mp-862951} |
| RD_147589569407_000 | computation | Reference Data From Materials Project: {formula:AlAuO2,spaceGroup:P6_3/mmc,id:mp-16613} |
| RD_147672170833_000 | computation | Reference Data From Materials Project: {formula:Be2RuAu,spaceGroup:Fm-3m,id:mp-867307} |
| RD_149120435359_000 | computation | Reference Data From Materials Project: {formula:LiDyAu2,spaceGroup:Fm-3m,id:mp-861885} |
| RD_149341384638_000 | experiment | Experimental data collected from reference material at the University of Minnesota. Original source needs to be checked to verify ensemble and error values. |
| RD_150200496533_000 | computation | Reference Data From Materials Project: {formula:BiAu2,spaceGroup:Fd-3m,id:mp-570113} |
| RD_150506412009_000 | computation | Reference Data From Materials Project: {formula:ZnAu2(CN)4,spaceGroup:P6_222,id:mp-647252} |
| RD_151453240638_000 | computation | Reference Data From Materials Project: {formula:NaAu2,spaceGroup:Fd-3m,id:mp-1052} |
| RD_152053108503_000 | computation | Reference Data From Materials Project: {formula:HoSnAu,spaceGroup:P6_3mc,id:mp-568814} |
| RD_152265656032_000 | computation | Reference Data From Materials Project: {formula:Dy5BiAu2,spaceGroup:I4/mcm,id:mp-567961} |
| RD_152692701182_000 | computation | Reference Data From Materials Project: {formula:Ho(SiAu)2,spaceGroup:I4/mmm,id:mp-569013} |
| RD_153061253022_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_153908393296_000 | computation | Reference Data From Materials Project: {formula:AsAuO3,spaceGroup:C2/c,id:mp-755240} |
| RD_155300419943_000 | computation | Reference Data From Materials Project: {formula:PAuCl4,spaceGroup:P2_1/c,id:mp-23355} |
| RD_155646963199_000 | computation | Reference Data From Materials Project: {formula:Ac2SiAu,spaceGroup:Fm-3m,id:mp-862698} |
| RD_155647336056_000 | computation | Reference Data From Materials Project: {formula:Sc2TcAu,spaceGroup:Fm-3m,id:mp-862378} |
| RD_155719046385_000 | computation | Reference Data From Materials Project: {formula:YbIn2Au,spaceGroup:Cmcm,id:mp-20746} |
| RD_156144775929_000 | computation | Reference Data From Materials Project: {formula:NaH4Au(Br2O)2,spaceGroup:Pnma,id:mp-761916} |
| RD_156992836909_000 | computation | Reference Data From Materials Project: {formula:TiInAu2,spaceGroup:Fm-3m,id:mp-621348} |
| RD_157460217745_000 | computation | Reference Data From Materials Project: {formula:Li2ZnAu,spaceGroup:Fm-3m,id:mp-865871} |
| RD_157611025417_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_157804310538_000 | computation | Reference Data From Materials Project: {formula:Ba2PtAu,spaceGroup:Pcm2_1,id:mp-675690} |
| RD_158226619069_000 | computation | Reference Data From Materials Project: {formula:KAu(SO4)2,spaceGroup:C2/c,id:mp-561454} |
| RD_158357187676_000 | computation | Reference Data From Materials Project: {formula:Gd2Al6Si4Au,spaceGroup:R-3m,id:mp-638442} |
| RD_158458115087_000 | computation | Reference Data From Materials Project: {formula:KPAuSe3,spaceGroup:C2/m,id:mp-862850} |
| RD_159117332582_000 | computation | Reference Data From Materials Project: {formula:PaInAu2,spaceGroup:Fm-3m,id:mp-862819} |
| RD_159685959209_000 | computation | Reference Data From Materials Project: {formula:SrInAu,spaceGroup:Pmnb,id:mp-22529} |
| RD_159764964566_000 | computation | Reference Data From Materials Project: {formula:PmZnAu2,spaceGroup:Fm-3m,id:mp-862974} |
| RD_160107684262_000 | computation | Reference Data From Materials Project: {formula:Mg3Au,spaceGroup:P6_3/mmc,id:mp-11251} |
| RD_160527093640_000 | computation | Reference Data From Materials Project: {formula:B2Au,spaceGroup:P6/mmm,id:mp-10681} |
| RD_160873110199_000 | computation | Reference Data From Materials Project: {formula:Rb3AuO,spaceGroup:Pm-3m,id:mp-4405} |
| RD_161967080683_000 | computation | Reference Data From Materials Project: {formula:PmCdAu2,spaceGroup:Fm-3m,id:mp-862891} |
| RD_161987855564_000 | computation | Reference Data From Materials Project: {formula:AuCl,spaceGroup:I4_1/amd,id:mp-32780} |
| RD_162977291704_000 | computation | Reference Data From Materials Project: {formula:Ba4AgAuO6,spaceGroup:Ccmm,id:mp-556896} |
| RD_163631346342_000 | computation | Reference Data From Materials Project: {formula:BaAu5,spaceGroup:P6/mmm,id:mp-30364} |
| RD_165016408243_000 | computation | Reference Data From Materials Project: {formula:NaSmAu2,spaceGroup:Fm-3m,id:mp-865111} |
| RD_165257949914_000 | computation | Reference Data From Materials Project: {formula:La12Au3I13,spaceGroup:R32,id:mp-674940} |
| RD_166617929304_000 | computation | Reference Data From Materials Project: {formula:UInAu2,spaceGroup:Fm-3m,id:mp-20358} |
| RD_166782785091_000 | computation | Reference Data From Materials Project: {formula:Na2In5Au6,spaceGroup:Pm3,id:mp-607437} |
| RD_167046916037_000 | computation | Reference Data From Materials Project: {formula:Li15Au4,spaceGroup:I-43d,id:mp-567395} |
| RD_167090185036_000 | computation | Reference Data From Materials Project: {formula:ErPbAu,spaceGroup:F-43m,id:mp-30377} |
| RD_167676453533_000 | computation | Reference Data From Materials Project: {formula:TiAlAu2,spaceGroup:Fm-3m,id:mp-16482} |
| RD_168915504945_000 | computation | Reference Data From Materials Project: {formula:NdAl7Au3,spaceGroup:R-3c,id:mp-16622} |
| RD_169773162733_000 | computation | Reference Data From Materials Project: {formula:YSnAu,spaceGroup:P6_3mc,id:mp-567197} |
| RD_170558377285_000 | computation | Reference Data From Materials Project: {formula:Ba4NaAuO8,spaceGroup:I4/mmm,id:mp-560188} |
| RD_170830009005_000 | computation | Reference Data From Materials Project: {formula:Li2PbAu,spaceGroup:F-43m,id:mp-30403} |
| RD_170839863963_000 | computation | Reference Data From Materials Project: {formula:ScSnAu,spaceGroup:P6_3mc,id:mp-6919} |
| RD_171956461537_000 | computation | Reference Data From Materials Project: {formula:Li2SnAu,spaceGroup:F-43m,id:mp-30405} |
| RD_172506619425_000 | computation | Reference Data From Materials Project: {formula:Sb2Au,spaceGroup:Pa3,id:mp-738} |
| RD_172616410081_000 | computation | Reference Data From Materials Project: {formula:Ca(AuO2)2,spaceGroup:I4_1/a,id:mp-2898} |
| RD_172669580917_000 | computation | Reference Data From Materials Project: {formula:PrAl7Au3,spaceGroup:R-3c,id:mp-11034} |
| RD_174752411329_000 | computation | Reference Data From Materials Project: {formula:NdSnAu,spaceGroup:P6_3mc,id:mp-5646} |
| RD_175444184421_000 | computation | AuCd in AFLOW crystal prototype AB_oP4_51_e_f (beta'-AuCd). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_177735469179_000 | computation | Reference Data From Materials Project: {formula:SmAu3,spaceGroup:Pmnm,id:mp-30417} |
| RD_177935991995_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:P6_3/mmc,id:mp-865144} |
| RD_178169851138_000 | computation | Reference Data From Materials Project: {formula:Ca2AsAu,spaceGroup:Fm-3m,id:mp-867113} |
| RD_178841100759_000 | computation | Reference Data From Materials Project: {formula:LiAuC2,spaceGroup:P-6m2,id:mp-29868} |
| RD_180571400218_000 | computation | Reference Data From Materials Project: {formula:Nd3Au4,spaceGroup:R-3,id:mp-12788} |
| RD_181148953220_000 | computation | Reference Data From Materials Project: {formula:Sc2AgAu,spaceGroup:Fm-3m,id:mp-862703} |
| RD_181337401380_000 | computation | Reference Data From Materials Project: {formula:In2Au,spaceGroup:Fm-3m,id:mp-22154} |
| RD_183604452273_000 | computation | Reference Data From Materials Project: {formula:ErAl7Au3,spaceGroup:R-3c,id:mp-16624} |
| RD_184242571415_000 | computation | Reference Data From Materials Project: {formula:SrAu2,spaceGroup:Imcm,id:mp-434} |
| RD_184700844736_000 | computation | Reference Data From Materials Project: {formula:Cu2PdAu,spaceGroup:Fm-3m,id:mp-862256} |
| RD_185197350272_000 | computation | Reference Data From Materials Project: {formula:UAu2,spaceGroup:P6/mmm,id:mp-12072} |
| RD_185575530084_000 | computation | Reference Data From Materials Project: {formula:PmGaAu2,spaceGroup:Fm-3m,id:mp-862905} |
| RD_185663494769_000 | computation | Reference Data From Materials Project: {formula:Li2TlAu,spaceGroup:Fm-3m,id:mp-865711} |
| RD_185753003926_000 | computation | Reference Data From Materials Project: {formula:SmAl7Au3,spaceGroup:R-3c,id:mp-16626} |
| RD_186157460606_000 | computation | Reference Data From Materials Project: {formula:LuSiAu,spaceGroup:P-6m2,id:mp-9024} |
| RD_186442103347_000 | computation | Reference Data From Materials Project: {formula:KAuBr4,spaceGroup:P2_1/c,id:mp-29694} |
| RD_187333261067_000 | computation | Reference Data From Materials Project: {formula:Th(SiAu)2,spaceGroup:I4/mmm,id:mp-16250} |
| RD_187340482309_000 | computation | Reference Data From Materials Project: {formula:Li2SnAu,spaceGroup:F-43m,id:mp-30405} |
| RD_187637040611_000 | computation | Reference Data From Materials Project: {formula:K3AuSe13,spaceGroup:P2/c,id:mp-28606} |
| RD_187834499039_000 | computation | Reference Data From Materials Project: {formula:YSnAu2,spaceGroup:Fm-3m,id:mp-865514} |
| RD_188198106039_000 | computation | Reference Data From Materials Project: {formula:CsAuCl3,spaceGroup:Pm-3m,id:mp-23026} |
| RD_188303900342_000 | computation | Reference Data From Materials Project: {formula:LiSbAu,spaceGroup:F-43m,id:mp-12564} |
| RD_189146489139_000 | computation | Reference Data From Materials Project: {formula:KNiAu3(CN)6,spaceGroup:P312,id:mp-567861} |
| RD_191571972123_000 | computation | Reference Data From Materials Project: {formula:Yb2Au,spaceGroup:Pmnb,id:mp-570901} |
| RD_193794554437_000 | computation | Reference Data From Materials Project: {formula:Sc2ZnAu,spaceGroup:Fm-3m,id:mp-862257} |
| RD_194091229203_000 | computation | Reference Data From Materials Project: {formula:LiSc2Au,spaceGroup:Fm-3m,id:mp-864772} |
| RD_194141278933_000 | computation | Reference Data From Materials Project: {formula:HoInAu,spaceGroup:P-62m,id:mp-3630} |
| RD_194793731551_000 | computation | Reference Data From Materials Project: {formula:Yb2AsAu,spaceGroup:Fm-3m,id:mp-865799} |
| RD_194939033214_000 | computation | Reference Data From Materials Project: {formula:Ta3Au,spaceGroup:Pm-3n,id:mp-569249} |
| RD_196207596939_000 | computation | Reference Data From Materials Project: {formula:AuSe,spaceGroup:C2/m,id:mp-2793} |
| RD_196604064837_000 | computation | Reference Data From Materials Project: {formula:ThSnAu2,spaceGroup:Fm-3m,id:mp-866174} |
| RD_197985889594_000 | computation | Reference Data From Materials Project: {formula:Li2PdAu,spaceGroup:Fm-3m,id:mp-866176} |
| RD_200192266666_000 | computation | Au in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_200621832405_000 | computation | Reference Data From Materials Project: {formula:DyPbAu,spaceGroup:F-43m,id:mp-11242} |
| RD_202234088749_000 | computation | Reference Data From Materials Project: {formula:CsAuO,spaceGroup:I4/mmm,id:mp-9986} |
| RD_202939376050_000 | computation | Reference Data From Materials Project: {formula:LuAl7Au3,spaceGroup:R-3c,id:mp-16620} |
| RD_204162041860_000 | computation | Reference Data From Materials Project: {formula:LiCdAu2,spaceGroup:Fm-3m,id:mp-867877} |
| RD_204637109751_000 | computation | Reference Data From Materials Project: {formula:ThAu3,spaceGroup:P6_3/mmc,id:mp-865180} |
| RD_204670847394_000 | computation | Reference Data From Materials Project: {formula:K(In3Au2)2,spaceGroup:P-6m2,id:mp-567545} |
| RD_205787210210_000 | computation | Au in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_206354634158_000 | computation | Reference Data From Materials Project: {formula:K4GaAu8,spaceGroup:C2/m,id:mp-31484} |
| RD_206824913690_000 | computation | AuCd in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_206999046325_000 | computation | AuCd in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_207200600329_000 | computation | Reference Data From Materials Project: {formula:YbPd2Au,spaceGroup:Fm-3m,id:mp-865815} |
| RD_208012406927_000 | computation | Reference Data From Materials Project: {formula:DyAu2,spaceGroup:I4/mmm,id:mp-11241} |
| RD_208505700454_000 | computation | Reference Data From Materials Project: {formula:CaAsAu,spaceGroup:P6_3/mmc,id:mp-3927} |
| RD_208823520626_000 | computation | Reference Data From Materials Project: {formula:V3Au,spaceGroup:Pm-3m,id:mp-570698} |
| RD_209191312101_000 | computation | Reference Data From Materials Project: {formula:RbAuBr3,spaceGroup:C2/m,id:mp-27300} |
| RD_211063779522_000 | computation | Reference Data From Materials Project: {formula:DyMgAu2,spaceGroup:Fm-3m,id:mp-867762} |
| RD_211339937123_000 | computation | Reference Data From Materials Project: {formula:V3Au,spaceGroup:Pm-3n,id:mp-839} |
| RD_211505404629_000 | computation | Reference Data From Materials Project: {formula:YbCdAu2,spaceGroup:Fm-3m,id:mp-865740} |
| RD_212005313134_000 | computation | Reference Data From Materials Project: {formula:Ba(AuO2)2,spaceGroup:I4_1/a,id:mp-9297} |
| RD_212599188804_000 | computation | Reference Data From Materials Project: {formula:TaAuBr,spaceGroup:F-43m,id:mp-631566} |
| RD_212599561250_000 | computation | Reference Data From Materials Project: {formula:PaSnAu2,spaceGroup:Fm-3m,id:mp-862821} |
| RD_213209917099_000 | computation | Reference Data From Materials Project: {formula:Er2Au5F21,spaceGroup:P-1,id:mp-541347} |
| RD_214273019107_000 | computation | Reference Data From Materials Project: {formula:ScSnAu,spaceGroup:P6_3mc,id:mp-6919} |
| RD_215760379075_000 | computation | Reference Data From Materials Project: {formula:AgAu3,spaceGroup:Pm-3m,id:mp-867303} |
| RD_215910242777_000 | computation | Reference Data From Materials Project: {formula:YInAu2,spaceGroup:Fm-3m,id:mp-22493} |
| RD_216313618034_000 | computation | Reference Data From Materials Project: {formula:Cs3AuO,spaceGroup:P6_3/mmc,id:mp-505212} |
| RD_217884122971_000 | computation | Reference Data From Materials Project: {formula:HoAu,spaceGroup:Pm-3m,id:mp-11245} |
| RD_218070450797_000 | computation | Reference Data From Materials Project: {formula:Au,spaceGroup:Fm-3m,id:mp-81} |
| RD_218863652536_000 | computation | Reference Data From Materials Project: {formula:PmNaAu2,spaceGroup:Fm-3m,id:mp-862942} |
| RD_220676587460_000 | computation | Reference Data From Materials Project: {formula:RbSb2Au3S5,spaceGroup:Pmnn,id:mp-558739} |
| RD_220893098883_000 | computation | Reference Data From Materials Project: {formula:Al2Au,spaceGroup:Fm-3m,id:mp-2647} |
| RD_221662747725_000 | computation | Reference Data From Materials Project: {formula:ErAu,spaceGroup:Ccmm,id:mp-11243} |
| RD_223047511424_000 | computation | Reference Data From Materials Project: {formula:ThPbAu2,spaceGroup:Fm-3m,id:mp-867418} |
| RD_223696800114_000 | computation | AuCu in AFLOW crystal prototype A3B_cP4_221_c_a (Cu3Au). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_224497037835_000 | computation | Reference Data From Materials Project: {formula:CeBiAu2,spaceGroup:Fm-3m,id:mp-861888} |
| RD_224792740812_000 | computation | Reference Data From Materials Project: {formula:NaAuC2,spaceGroup:P4/mmm,id:mp-10422} |
| RD_226073909165_000 | computation | Reference Data From Materials Project: {formula:TmAu3,spaceGroup:Pnmm,id:mp-568247} |
| RD_226579821005_000 | computation | Reference Data From Materials Project: {formula:AgTe4Au,spaceGroup:P2/c,id:mp-3291} |
| RD_227146668906_000 | computation | Reference Data From Materials Project: {formula:YSiAu,spaceGroup:P6_3mc,id:mp-9025} |
| RD_227478453570_000 | computation | Reference Data From Materials Project: {formula:YInAu2,spaceGroup:Fm-3m,id:mp-22493} |
| RD_228112394545_000 | computation | Reference Data From Materials Project: {formula:CsAu3Se2,spaceGroup:P-3m1,id:mp-9386} |
| RD_230084479633_000 | computation | Reference Data From Materials Project: {formula:Mg2Au,spaceGroup:Pmnb,id:mp-11250} |
| RD_233070448632_000 | computation | Reference Data From Materials Project: {formula:Na2In5Au6,spaceGroup:Pm3,id:mp-607437} |
| RD_233123393717_000 | computation | Au in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_233972370166_000 | computation | Reference Data From Materials Project: {formula:PaTlAu2,spaceGroup:Fm-3m,id:mp-862830} |
| RD_234025045998_000 | computation | Reference Data From Materials Project: {formula:MgAu,spaceGroup:Pm-3m,id:mp-437} |
| RD_234124040925_000 | computation | Reference Data From Materials Project: {formula:ThCdAu2,spaceGroup:Fm-3m,id:mp-867353} |
| RD_234238236464_000 | computation | Reference Data From Materials Project: {formula:RbAuBr4,spaceGroup:P2_1/c,id:mp-30996} |
| RD_234538967947_000 | computation | Reference Data From Materials Project: {formula:U2AuF11,spaceGroup:I4/mcm,id:mp-561123} |
| RD_234874215420_000 | computation | Reference Data From Materials Project: {formula:PrSnAu2,spaceGroup:Fm-3m,id:mp-862805} |
| RD_235006412708_000 | computation | Reference Data From Materials Project: {formula:PmSbAu2,spaceGroup:Fm-3m,id:mp-862953} |
| RD_236424266822_000 | computation | Reference Data From Materials Project: {formula:P2PbAu2,spaceGroup:Cmcm,id:mp-30108} |
| RD_238063059909_000 | computation | Reference Data From Materials Project: {formula:Ag3AuS2,spaceGroup:R-3m,id:mp-34460} |
| RD_238301425453_000 | computation | AuCu in AFLOW crystal prototype AB3_cP4_221_a_c (Cu3Au). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_238457068695_000 | computation | Reference Data From Materials Project: {formula:V3AuN,spaceGroup:Pm-3m,id:mp-635460} |
| RD_240815247124_000 | computation | Reference Data From Materials Project: {formula:Zn2CuAu,spaceGroup:Fm-3m,id:mp-3648} |
| RD_241611108117_000 | computation | Reference Data From Materials Project: {formula:BaBiAu,spaceGroup:P6_3/mmc,id:mp-31140} |
| RD_242308464096_000 | computation | Reference Data From Materials Project: {formula:NdAu3,spaceGroup:P6_3/mmc,id:mp-866076} |
| RD_243621274110_000 | computation | Reference Data From Materials Project: {formula:LaZnAu2,spaceGroup:Fm-3m,id:mp-867836} |
| RD_245087757860_000 | computation | Reference Data From Materials Project: {formula:Th(GeAu)2,spaceGroup:I4/mmm,id:mp-16249} |
| RD_246232259708_000 | computation | Reference Data From Materials Project: {formula:AcAgAu2,spaceGroup:Fm-3m,id:mp-862972} |
| RD_246944550513_000 | computation | Reference Data From Materials Project: {formula:YbGeAu,spaceGroup:Pmcn,id:mp-570711} |
| RD_247165117650_000 | computation | Reference Data From Materials Project: {formula:Sb2H4AuF16,spaceGroup:P-1,id:mp-760678} |
| RD_248057080518_000 | computation | AlAu in AFLOW crystal prototype AB4_cP20_198_a_ab. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_248379800837_000 | computation | Reference Data From Materials Project: {formula:LiErAu2,spaceGroup:Fm-3m,id:mp-862599} |
| RD_250242831485_000 | computation | Reference Data From Materials Project: {formula:PmLiAu2,spaceGroup:Fm-3m,id:mp-862926} |
| RD_250332188760_000 | computation | Reference Data From Materials Project: {formula:Hg5Au6,spaceGroup:P6_3/mcm,id:mp-1812} |
| RD_250994354653_000 | computation | Reference Data From Materials Project: {formula:ScGeAu,spaceGroup:P6_3mc,id:mp-9350} |
| RD_251027825048_000 | computation | Reference Data From Materials Project: {formula:LiAuS,spaceGroup:Fddd,id:mp-29829} |
| RD_251055413520_000 | computation | Reference Data From Materials Project: {formula:Lu2AgAu,spaceGroup:Fm-3m,id:mp-865445} |
| RD_251586826835_000 | computation | Reference Data From Materials Project: {formula:Nd2Au5F21,spaceGroup:P4_12_12,id:mp-14716} |
| RD_251626525906_000 | computation | Reference Data From Materials Project: {formula:PmNaAu2,spaceGroup:Fm-3m,id:mp-862942} |
| RD_252421063851_000 | computation | Reference Data From Materials Project: {formula:LaAuO3,spaceGroup:Pcmb,id:mp-28853} |
| RD_253014887377_000 | computation | Reference Data From Materials Project: {formula:Pm2SiAu,spaceGroup:Fm-3m,id:mp-865545} |
| RD_253746829998_000 | computation | Elastic constants of fcc Au at zero temperature computed using density functional theory (DFT) by Kibey et al. (2007). |
| RD_254303632394_000 | computation | Reference Data From Materials Project: {formula:HfInAu2,spaceGroup:Fm-3m,id:mp-574025} |
| RD_255380984864_000 | computation | AuPd in AFLOW crystal prototype AB3_cP4_221_a_c (Cu3Au). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_256059491596_000 | computation | Reference Data From Materials Project: {formula:Nd2P3Au,spaceGroup:P2_1/c,id:mp-29972} |
| RD_256557605427_000 | computation | Reference Data From Materials Project: {formula:Te2Au,spaceGroup:C2/m,id:mp-567525} |
| RD_257762530423_000 | computation | Reference Data From Materials Project: {formula:Al2Au,spaceGroup:Fm-3m,id:mp-2647} |
| RD_258143292361_000 | computation | Reference Data From Materials Project: {formula:Li2GeAu,spaceGroup:F-43m,id:mp-2935} |
| RD_258570858495_000 | computation | Reference Data From Materials Project: {formula:LuGeAu,spaceGroup:P6_3mc,id:mp-9351} |
| RD_258736291477_000 | computation | Reference Data From Materials Project: {formula:Ba4Ge20Au3,spaceGroup:Pm-3n,id:mp-21839} |
| RD_259064325266_000 | computation | Reference Data From Materials Project: {formula:TiZnAu2,spaceGroup:Fm-3m,id:mp-865730} |
| RD_259226137356_000 | computation | Reference Data From Materials Project: {formula:Cd2AgAu,spaceGroup:Fm-3m,id:mp-31170} |
| RD_259243263010_000 | computation | Reference Data From Materials Project: {formula:AuSe,spaceGroup:C2/m,id:mp-570325} |
| RD_261457440460_000 | computation | Reference Data From Materials Project: {formula:VAuS2,spaceGroup:P6_3/mmc,id:mp-11193} |
| RD_261922957323_000 | computation | Reference Data From Materials Project: {formula:LiCdAu2,spaceGroup:Fm-3m,id:mp-867877} |
| RD_263570093609_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:Pm-3m,id:mp-2757} |
| RD_264109322715_000 | computation | Reference Data From Materials Project: {formula:DyCdAu2,spaceGroup:Fm-3m,id:mp-867827} |
| RD_265603996132_000 | computation | Reference Data From Materials Project: {formula:SrSnAu,spaceGroup:Pmcn,id:mp-31281} |
| RD_266310112985_000 | computation | Reference Data From Materials Project: {formula:Bi9AuBr9,spaceGroup:P2_1/c,id:mp-684015} |
| RD_267113809590_000 | computation | Reference Data From Materials Project: {formula:NaPrAu2,spaceGroup:Fm-3m,id:mp-865118} |
| RD_267176537916_000 | computation | Reference Data From Materials Project: {formula:YMgAu2,spaceGroup:Fm-3m,id:mp-866171} |
| RD_267275762444_000 | computation | AlAu in AFLOW crystal prototype A2B_cF12_225_c_a (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_267672527740_000 | computation | Reference Data From Materials Project: {formula:TiAlAu,spaceGroup:P6_3/mmc,id:mp-16481} |
| RD_267884437355_000 | computation | Reference Data From Materials Project: {formula:AcSbAu2,spaceGroup:Fm-3m,id:mp-862894} |
| RD_267890123838_000 | computation | Reference Data From Materials Project: {formula:DySnAu,spaceGroup:P6_3mc,id:mp-31414} |
| RD_269161233749_000 | computation | Reference Data From Materials Project: {formula:GaAuO2,spaceGroup:P6_3/mmc,id:mp-11021} |
| RD_269200402776_000 | computation | Reference Data From Materials Project: {formula:Ca2PdAu,spaceGroup:Fm-3m,id:mp-863744} |
| RD_269457567471_000 | computation | AlAu in AFLOW crystal prototype AB4_cP20_198_a_ab. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_269706975135_000 | computation | Reference Data From Materials Project: {formula:RbAuS,spaceGroup:Ccmm,id:mp-9010} |
| RD_270072383404_000 | computation | Reference Data From Materials Project: {formula:Sb4Au(Xe2F11)2,spaceGroup:P-1,id:mp-554574} |
| RD_271998351156_000 | computation | Reference Data From Materials Project: {formula:YbAu2,spaceGroup:I4/mmm,id:mp-1668} |
| RD_272071052851_000 | computation | Reference Data From Materials Project: {formula:YPbAu,spaceGroup:F-43m,id:mp-621592} |
| RD_272848107521_000 | computation | Reference Data From Materials Project: {formula:Pr3Sn5Au6,spaceGroup:Pmmn,id:mp-867370} |
| RD_274255330557_000 | computation | Reference Data From Materials Project: {formula:CsAuCl3,spaceGroup:Pm-3m,id:mp-23026} |
| RD_274324485675_000 | computation | Reference Data From Materials Project: {formula:InPd2Au,spaceGroup:Fm-3m,id:mp-863724} |
| RD_276522054241_000 | computation | Reference Data From Materials Project: {formula:LaBiAu2,spaceGroup:Fm-3m,id:mp-867908} |
| RD_277048663254_000 | computation | Reference Data From Materials Project: {formula:Ca2SbAu,spaceGroup:Fm-3m,id:mp-861950} |
| RD_277578484387_000 | computation | Reference Data From Materials Project: {formula:RbTeAu,spaceGroup:P6_3/mmc,id:mp-7025} |
| RD_278326618504_000 | computation | Reference Data From Materials Project: {formula:MgAu,spaceGroup:Pm-3m,id:mp-437} |
| RD_278577475969_000 | computation | Reference Data From Materials Project: {formula:YbSbAu,spaceGroup:P6_3mc,id:mp-5334} |
| RD_278990664898_000 | computation | Reference Data From Materials Project: {formula:LiGdAu2,spaceGroup:Fm-3m,id:mp-867244} |
| RD_279026839939_000 | computation | Reference Data From Materials Project: {formula:CsK2AuO2,spaceGroup:Pcmn,id:mp-557807} |
| RD_279634999334_000 | computation | Reference Data From Materials Project: {formula:Sc2ZnAu,spaceGroup:Fm-3m,id:mp-862257} |
| RD_280894636911_000 | computation | Reference Data From Materials Project: {formula:P10Au7I,spaceGroup:P-62m,id:mp-27370} |
| RD_282215764624_000 | computation | Reference Data From Materials Project: {formula:KAuS5,spaceGroup:Icma,id:mp-3592} |
| RD_282423840713_000 | computation | Reference Data From Materials Project: {formula:AcPbAu2,spaceGroup:Fm-3m,id:mp-867422} |
| RD_283854406206_000 | computation | Reference Data From Materials Project: {formula:Na2LiAu3,spaceGroup:P6_3/mmc,id:mp-12815} |
| RD_284068848693_000 | computation | Reference Data From Materials Project: {formula:NaSnAu,spaceGroup:Pmnb,id:mp-11253} |
| RD_284926655343_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:P6_3/mmc,id:mp-865144} |
| RD_285449986176_000 | computation | Reference Data From Materials Project: {formula:Sr(GaAu)2,spaceGroup:P4/nmm,id:mp-12780} |
| RD_285869048908_000 | computation | Reference Data From Materials Project: {formula:TmAu2,spaceGroup:I4/mmm,id:mp-560} |
| RD_286298395049_000 | computation | Reference Data From Materials Project: {formula:Ba(InAu)2,spaceGroup:Pmnb,id:mp-574176} |
| RD_286668623185_000 | computation | Reference Data From Materials Project: {formula:RbAu,spaceGroup:Pm-3m,id:mp-30373} |
| RD_287365559359_000 | computation | Reference Data From Materials Project: {formula:InAuO2,spaceGroup:P6_3/mmc,id:mp-19723} |
| RD_288191029152_000 | computation | Reference Data From Materials Project: {formula:YbGaAu2,spaceGroup:Fm-3m,id:mp-865748} |
| RD_288947717953_000 | computation | Reference Data From Materials Project: {formula:BaAu2,spaceGroup:P6/mmm,id:mp-30363} |
| RD_289449259916_000 | computation | Reference Data From Materials Project: {formula:SmAu6,spaceGroup:P4_2/ncm,id:mp-1091} |
| RD_290042850306_000 | computation | Reference Data From Materials Project: {formula:MgCdAu2,spaceGroup:Fm-3m,id:mp-865150} |
| RD_290923039833_000 | computation | Reference Data From Materials Project: {formula:NdAl4Ge2Au,spaceGroup:R-3m,id:mp-12018} |
| RD_291104443357_000 | computation | Reference Data From Materials Project: {formula:AcBiAu2,spaceGroup:Fm-3m,id:mp-866016} |
| RD_291332457815_000 | computation | Reference Data From Materials Project: {formula:DyGeAu,spaceGroup:P6_3mc,id:mp-22149} |
| RD_291547957819_000 | computation | Reference Data From Materials Project: {formula:YbAl7Au3,spaceGroup:R-3c,id:mp-16625} |
| RD_291812242705_000 | computation | Reference Data From Materials Project: {formula:SrSbAu,spaceGroup:P6_3/mmc,id:mp-11815} |
| RD_292610047030_000 | computation | Reference Data From Materials Project: {formula:EuAgAu2,spaceGroup:Fm-3m,id:mp-865013} |
| RD_292856911329_000 | computation | Reference Data From Materials Project: {formula:BeAu,spaceGroup:P2_13,id:mp-30365} |
| RD_295235106460_000 | computation | Reference Data From Materials Project: {formula:Li2CdAu,spaceGroup:Fm-3m,id:mp-865577} |
| RD_295402708703_000 | computation | Reference Data From Materials Project: {formula:HoMgAu2,spaceGroup:Fm-3m,id:mp-864653} |
| RD_295465373613_000 | computation | Reference Data From Materials Project: {formula:Yb7Au3,spaceGroup:P6_3mc,id:mp-570119} |
| RD_295820244932_000 | computation | Reference Data From Materials Project: {formula:Sr2AuN,spaceGroup:Ccmm,id:mp-30317} |
| RD_296700485042_000 | computation | Reference Data From Materials Project: {formula:LuSnAu,spaceGroup:P6_3mc,id:mp-13302} |
| RD_298956137478_000 | computation | Reference Data From Materials Project: {formula:AuF5,spaceGroup:Pbnm,id:mp-30103} |
| RD_299687324384_000 | computation | Reference Data From Materials Project: {formula:Sb2(AuF6)3,spaceGroup:P2_1/c,id:mp-30109} |
| RD_299721617211_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:Pmmb,id:mp-1404} |
| RD_299904216908_000 | computation | Reference Data From Materials Project: {formula:CaInAu2,spaceGroup:Fm-3m,id:mp-861960} |
| RD_301869113240_000 | computation | Reference Data From Materials Project: {formula:CeAl4Ge2Au,spaceGroup:R-3m,id:mp-12017} |
| RD_302307621831_000 | computation | Reference Data From Materials Project: {formula:Sn2Au,spaceGroup:Pbca,id:mp-1462} |
| RD_304533087081_000 | computation | Reference Data From Materials Project: {formula:Ba2SbAu,spaceGroup:Fm-3m,id:mp-862631} |
| RD_305108923921_000 | computation | Reference Data From Materials Project: {formula:ZnAu,spaceGroup:Pm-3m,id:mp-1684} |
| RD_306167436899_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Au, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-81) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_306487289239_000 | computation | Reference Data From Materials Project: {formula:LiSnAu,spaceGroup:P6_3/mmc,id:mp-11977} |
| RD_306947886176_000 | computation | Reference Data From Materials Project: {formula:GdAu,spaceGroup:Pm-3m,id:mp-635426} |
| RD_307338295986_000 | computation | Reference Data From Materials Project: {formula:B2Au,spaceGroup:P6/mmm,id:mp-10681} |
| RD_307538857910_000 | computation | Reference Data From Materials Project: {formula:PmTlAu2,spaceGroup:Fm-3m,id:mp-862965} |
| RD_308837254781_000 | computation | Reference Data From Materials Project: {formula:LiGeAu2,spaceGroup:Fm-3m,id:mp-861881} |
| RD_309062850753_000 | computation | Reference Data From Materials Project: {formula:CeGeAu,spaceGroup:P6_3mc,id:mp-4219} |
| RD_309453887671_000 | computation | Reference Data From Materials Project: {formula:Cd(AuF6)2,spaceGroup:C2/c,id:mp-557715} |
| RD_309455032731_000 | computation | Reference Data From Materials Project: {formula:AcInAu2,spaceGroup:Fm-3m,id:mp-862860} |
| RD_309770113801_000 | computation | Reference Data From Materials Project: {formula:ScAlAu2,spaceGroup:Fm-3m,id:mp-10873} |
| RD_310025100011_000 | computation | Reference Data From Materials Project: {formula:LiPdAu2,spaceGroup:Fm-3m,id:mp-861930} |
| RD_310777264384_000 | computation | Reference Data From Materials Project: {formula:In3Au10,spaceGroup:P6_3/m,id:mp-510099} |
| RD_310899333788_000 | computation | Reference Data From Materials Project: {formula:TmCdAu2,spaceGroup:Fm-3m,id:mp-865887} |
| RD_311071087783_000 | computation | Reference Data From Materials Project: {formula:Ti3Au,spaceGroup:Pm-3n,id:mp-1786} |
| RD_311141098520_000 | computation | Reference Data From Materials Project: {formula:PrCdAu2,spaceGroup:Fm-3m,id:mp-867176} |
| RD_312562739762_000 | computation | Reference Data From Materials Project: {formula:ThGaAu2,spaceGroup:Fm-3m,id:mp-862875} |
| RD_313138907918_000 | computation | Reference Data From Materials Project: {formula:ScAlAu2,spaceGroup:Fm-3m,id:mp-10873} |
| RD_313994416876_000 | computation | Reference Data From Materials Project: {formula:ZnAu2(CN)4,spaceGroup:P6_422,id:mp-542891} |
| RD_314466663512_000 | computation | AlAu in AFLOW crystal prototype A2B_cF12_225_c_a (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_314487021729_000 | computation | Reference Data From Materials Project: {formula:KBa4Au(CO)4,spaceGroup:I4/mmm,id:mp-557602} |
| RD_315589599586_000 | computation | Reference Data From Materials Project: {formula:PmCaAu2,spaceGroup:Fm-3m,id:mp-862882} |
| RD_315943282425_000 | computation | Reference Data From Materials Project: {formula:In4Au9,spaceGroup:P-43m,id:mp-680545} |
| RD_317086561225_000 | computation | Reference Data From Materials Project: {formula:K3AuSe2,spaceGroup:R-3c,id:mp-15571} |
| RD_318156106678_000 | computation | Reference Data From Materials Project: {formula:PaAlAu2,spaceGroup:Fm-3m,id:mp-864780} |
| RD_320834024062_000 | computation | Reference Data From Materials Project: {formula:RbTeAu,spaceGroup:P6_3/mmc,id:mp-7025} |
| RD_320904251301_000 | computation | AuCu in AFLOW crystal prototype AB3_cP4_221_a_c (Cu3Au). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_321023031036_000 | computation | Reference Data From Materials Project: {formula:KTeAu,spaceGroup:P6_3/mmc,id:mp-3553} |
| RD_321099773216_000 | computation | Reference Data From Materials Project: {formula:Cs4Sn2Au7,spaceGroup:R-3m,id:mp-510696} |
| RD_321531121007_000 | computation | Reference Data From Materials Project: {formula:YInAu,spaceGroup:P-62m,id:mp-621176} |
| RD_322292677568_000 | computation | Reference Data From Materials Project: {formula:LuAu2F9,spaceGroup:Pcan,id:mp-14802} |
| RD_322407000020_000 | computation | Reference Data From Materials Project: {formula:MnSnAu,spaceGroup:F-43m,id:mp-22027} |
| RD_323101482760_000 | computation | Reference Data From Materials Project: {formula:NdSnAu2,spaceGroup:Fm-3m,id:mp-864668} |
| RD_323360630744_000 | computation | Reference Data From Materials Project: {formula:AuI,spaceGroup:P4_2/ncm,id:mp-27725} |
| RD_324187138282_000 | computation | Reference Data From Materials Project: {formula:Ho2Au5F21,spaceGroup:P-1,id:mp-541349} |
| RD_324407612599_000 | computation | Reference Data From Materials Project: {formula:TbSnAu,spaceGroup:P6_3mc,id:mp-31413} |
| RD_325124220369_000 | computation | Reference Data From Materials Project: {formula:AcHgAu2,spaceGroup:Fm-3m,id:mp-861966} |
| RD_325631393596_000 | computation | Reference Data From Materials Project: {formula:NdMgAu2,spaceGroup:Fm-3m,id:mp-866064} |
| RD_327042753155_000 | computation | Reference Data From Materials Project: {formula:AuSeClO3,spaceGroup:P-1,id:mp-560549} |
| RD_327058915292_000 | computation | Reference Data From Materials Project: {formula:TiAlAu2,spaceGroup:Fm-3m,id:mp-16482} |
| RD_327383793005_000 | computation | Reference Data From Materials Project: {formula:EuGeAu,spaceGroup:Im2m,id:mp-9293} |
| RD_327412374804_000 | computation | Reference Data From Materials Project: {formula:Sr4In13Au9,spaceGroup:P-6m2,id:mp-570807} |
| RD_328311006814_000 | computation | Reference Data From Materials Project: {formula:YbSiAu,spaceGroup:Imm2,id:mp-10443} |
| RD_328682064436_000 | computation | Reference Data From Materials Project: {formula:K(SnAu2)2,spaceGroup:I-4c2,id:mp-30402} |
| RD_328935599075_000 | computation | Reference Data From Materials Project: {formula:PmInAu2,spaceGroup:Fm-3m,id:mp-862917} |
| RD_329020749552_000 | computation | Reference Data From Materials Project: {formula:Ce(SiAu)2,spaceGroup:I4/mmm,id:mp-5173} |
| RD_330021754640_000 | computation | Reference Data From Materials Project: {formula:MgZrAu2,spaceGroup:Fm-3m,id:mp-864920} |
| RD_331161439834_000 | computation | Reference Data From Materials Project: {formula:PmSnAu2,spaceGroup:Fm-3m,id:mp-862956} |
| RD_331391054948_000 | computation | Reference Data From Materials Project: {formula:LaZnAu2,spaceGroup:Fm-3m,id:mp-867836} |
| RD_332323608949_000 | computation | Reference Data From Materials Project: {formula:V3Au,spaceGroup:Pm-3m,id:mp-570698} |
| RD_332922694980_000 | computation | Reference Data From Materials Project: {formula:ScInAu2,spaceGroup:Fm-3m,id:mp-30395} |
| RD_333120485169_000 | computation | Reference Data From Materials Project: {formula:SrAu,spaceGroup:P2_1/m,id:mp-30420} |
| RD_336396591493_000 | computation | Reference Data From Materials Project: {formula:Na7Au5S6,spaceGroup:Pcan,id:mp-28856} |
| RD_337399803406_000 | computation | Reference Data From Materials Project: {formula:NaGeAu,spaceGroup:Imm2,id:mp-9249} |
| RD_338347530927_000 | computation | Reference Data From Materials Project: {formula:Cs2AgAuCl6,spaceGroup:Fm-3m,id:mp-568448} |
| RD_340057472034_000 | computation | Reference Data From Materials Project: {formula:Te2Au,spaceGroup:P2cm,id:mp-20123} |
| RD_340409964316_000 | computation | Reference Data From Materials Project: {formula:Rb3Au3Cl8,spaceGroup:C2/c,id:mp-27301} |
| RD_340735616811_000 | computation | Reference Data From Materials Project: {formula:CoAu2(CN)4,spaceGroup:P6_422,id:mp-570037} |
| RD_340887699350_000 | computation | Reference Data From Materials Project: {formula:CeSnAu2,spaceGroup:Fm-3m,id:mp-867310} |
| RD_340920538958_000 | computation | Reference Data From Materials Project: {formula:KH2Au(Cl2O)2,spaceGroup:Pbcn,id:mp-696650} |
| RD_341318189339_000 | computation | Reference Data From Materials Project: {formula:LiHoAu2,spaceGroup:Fm-3m,id:mp-862722} |
| RD_342223823972_000 | computation | Reference Data From Materials Project: {formula:SmMgAu2,spaceGroup:Fm-3m,id:mp-867867} |
| RD_342494007362_000 | computation | Reference Data From Materials Project: {formula:PmZn2Au,spaceGroup:Fm-3m,id:mp-862976} |
| RD_343519309997_000 | computation | Reference Data From Materials Project: {formula:DyAu,spaceGroup:Pm-3m,id:mp-11240} |
| RD_343829968764_000 | computation | Reference Data From Materials Project: {formula:Be2RhAu,spaceGroup:Fm-3m,id:mp-866024} |
| RD_344644068628_000 | computation | Reference Data From Materials Project: {formula:AgTe2Au,spaceGroup:Pmcm,id:mp-31495} |
| RD_345821579983_000 | computation | Reference Data From Materials Project: {formula:LaGeAu,spaceGroup:P6_3mc,id:mp-610631} |
| RD_346342762105_000 | computation | Reference Data From Materials Project: {formula:MnAu4,spaceGroup:I4/m,id:mp-12565} |
| RD_346496718156_000 | computation | Reference Data From Materials Project: {formula:AgAuO3,spaceGroup:Cmcm,id:mp-752678} |
| RD_346860933397_000 | computation | Reference Data From Materials Project: {formula:ZnAu3,spaceGroup:Cmce,id:mp-1755} |
| RD_348676739550_000 | computation | Reference Data From Materials Project: {formula:CeTlAu2,spaceGroup:Fm-3m,id:mp-867361} |
| RD_348780392412_000 | computation | Reference Data From Materials Project: {formula:SmAu,spaceGroup:Pm-3m,id:mp-11257} |
| RD_350283352644_000 | computation | Reference Data From Materials Project: {formula:Ti3Au,spaceGroup:Pm-3m,id:mp-11260} |
| RD_351386495916_000 | computation | Reference Data From Materials Project: {formula:Ag3Te2Au,spaceGroup:I4_132,id:mp-5710} |
| RD_351634347678_000 | computation | Reference Data From Materials Project: {formula:AuN5O14,spaceGroup:P2_1/c,id:mp-560745} |
| RD_352994242224_000 | computation | Reference Data From Materials Project: {formula:SnP7Au3,spaceGroup:P2_1/m,id:mp-3245} |
| RD_353005907378_000 | computation | Reference Data From Materials Project: {formula:YCdAu2,spaceGroup:Fm-3m,id:mp-865522} |
| RD_353196099918_000 | computation | Reference Data From Materials Project: {formula:CsAuSe3,spaceGroup:C2/c,id:mp-567913} |
| RD_354995671522_000 | computation | Reference Data From Materials Project: {formula:PmZn2Au,spaceGroup:Fm-3m,id:mp-862976} |
| RD_355090040915_000 | computation | Reference Data From Materials Project: {formula:LaH6Au3C6(N2O)3,spaceGroup:P6_3/mcm,id:mp-542688} |
| RD_355232179356_000 | computation | Reference Data From Materials Project: {formula:MnAu,spaceGroup:Pm-3m,id:mp-12674} |
| RD_355520100643_000 | computation | Reference Data From Materials Project: {formula:LaTlAu2,spaceGroup:Fm-3m,id:mp-867814} |
| RD_356184863434_000 | computation | Reference Data From Materials Project: {formula:KAuO2,spaceGroup:Pmmm,id:mp-27418} |
| RD_356484720112_000 | computation | Reference Data From Materials Project: {formula:Yb7Au3,spaceGroup:P6_3mc,id:mp-570119} |
| RD_356640201171_000 | computation | Reference Data From Materials Project: {formula:Yb2SbAu,spaceGroup:Fm-3m,id:mp-864783} |
| RD_358133289390_000 | computation | Reference Data From Materials Project: {formula:K2PAuS4,spaceGroup:P2_1/m,id:mp-9509} |
| RD_358713695560_000 | computation | Reference Data From Materials Project: {formula:CaGeAu,spaceGroup:Pmcn,id:mp-21710} |
| RD_359388621853_000 | computation | AuCu in AFLOW crystal prototype AB_tP2_123_a_d (CuAu). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_360169409750_000 | computation | Reference Data From Materials Project: {formula:LiZn2Au,spaceGroup:Fm-3m,id:mp-867255} |
| RD_360674966587_000 | computation | Reference Data From Materials Project: {formula:YbSbAu,spaceGroup:P6_3mc,id:mp-5334} |
| RD_362403204087_000 | computation | Reference Data From Materials Project: {formula:Be5Au,spaceGroup:F-43m,id:mp-1220} |
| RD_362659277968_000 | computation | Reference Data From Materials Project: {formula:NaGeAu3,spaceGroup:Pa3,id:mp-13674} |
| RD_363595520236_000 | computation | Reference Data From Materials Project: {formula:Nd4Au2O9,spaceGroup:Pbna,id:mp-3374} |
| RD_363991036781_000 | computation | Reference Data From Materials Project: {formula:LiCd2Au,spaceGroup:Fm-3m,id:mp-867160} |
| RD_364228639423_000 | computation | Reference Data From Materials Project: {formula:Ba2BiAu,spaceGroup:Fm-3m,id:mp-862947} |
| RD_364826144719_000 | computation | Reference Data From Materials Project: {formula:AuF3,spaceGroup:P6_122,id:mp-942} |
| RD_365911446654_000 | computation | Reference Data From Materials Project: {formula:Ho2OsAu,spaceGroup:Fm-3m,id:mp-863736} |
| RD_366041668115_000 | computation | AuO in AFLOW crystal prototype A2B3_oF40_43_b_ab (metal-oxide; Au2O3, ICSD #8014). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_369103907755_000 | computation | Reference Data From Materials Project: {formula:ErGeAu,spaceGroup:P6_3mc,id:mp-12563} |
| RD_370461192447_000 | computation | Reference Data From Materials Project: {formula:UGeAu,spaceGroup:P6_3/mmc,id:mp-7180} |
| RD_370520161577_000 | computation | Reference Data From Materials Project: {formula:LuAu,spaceGroup:Pm-3m,id:mp-11249} |
| RD_370746730415_000 | computation | Reference Data From Materials Project: {formula:CuAu3,spaceGroup:Pm-3m,id:mp-2103} |
| RD_371679317994_000 | computation | Reference Data From Materials Project: {formula:ErPbAu,spaceGroup:F-43m,id:mp-30377} |
| RD_375987039062_000 | computation | Reference Data From Materials Project: {formula:Cs3AuO2,spaceGroup:P2_1/c,id:mp-572441} |
| RD_376047449121_000 | computation | Reference Data From Materials Project: {formula:YInAu2,spaceGroup:Fm-3m,id:mp-22493} |
| RD_376929973332_000 | computation | Reference Data From Materials Project: {formula:Zn2CuAu,spaceGroup:Fm-3m,id:mp-3648} |
| RD_377001243285_000 | computation | Reference Data From Materials Project: {formula:HoAu3,spaceGroup:Pmnm,id:mp-30386} |
| RD_377003437619_000 | computation | Reference Data From Materials Project: {formula:AgAuO3,spaceGroup:Fd-3m,id:mp-776165} |
| RD_377229260173_000 | computation | Reference Data From Materials Project: {formula:NdAgAu2,spaceGroup:Fm-3m,id:mp-864892} |
| RD_379096461855_000 | computation | Reference Data From Materials Project: {formula:KAu(CN)2,spaceGroup:R-3,id:mp-672348} |
| RD_379828155259_000 | computation | Reference Data From Materials Project: {formula:LiAuC2,spaceGroup:P-6m2,id:mp-29868} |
| RD_379885000357_000 | computation | Reference Data From Materials Project: {formula:Sr(AuO2)2,spaceGroup:I4_1/a,id:mp-9298} |
| RD_380005332355_000 | computation | Reference Data From Materials Project: {formula:Re2AuSe,spaceGroup:F-43m,id:mp-631573} |
| RD_380514317289_000 | computation | Reference Data From Materials Project: {formula:NaPrAu2,spaceGroup:Fm-3m,id:mp-865118} |
| RD_381385751713_000 | computation | Reference Data From Materials Project: {formula:EuSnAu2,spaceGroup:Fm-3m,id:mp-867138} |
| RD_382885246515_000 | computation | Reference Data From Materials Project: {formula:LiThAu2,spaceGroup:Fm-3m,id:mp-865940} |
| RD_383252520842_000 | computation | Reference Data From Materials Project: {formula:PrBiAu2,spaceGroup:Fm-3m,id:mp-862761} |
| RD_383792437297_000 | computation | Reference Data From Materials Project: {formula:MgZrAu2,spaceGroup:Fm-3m,id:mp-864920} |
| RD_384463301023_000 | computation | Reference Data From Materials Project: {formula:RbAu(SO4)2,spaceGroup:P-1,id:mp-555741} |
| RD_384530049014_000 | computation | Reference Data From Materials Project: {formula:BiAu2,spaceGroup:Fd-3m,id:mp-570113} |
| RD_385117343946_000 | computation | Reference Data From Materials Project: {formula:Sr2BiAu,spaceGroup:Fm-3m,id:mp-867193} |
| RD_385477344773_000 | computation | Reference Data From Materials Project: {formula:LuSnAu,spaceGroup:F-43m,id:mp-5177} |
| RD_385943289273_000 | computation | Reference Data From Materials Project: {formula:Pr3Sb4Au3,spaceGroup:I-43d,id:mp-861503} |
| RD_386335406545_000 | computation | Reference Data From Materials Project: {formula:AcAu3,spaceGroup:P6_3/mmc,id:mp-867838} |
| RD_387069177614_000 | computation | Reference Data From Materials Project: {formula:ErAu,spaceGroup:Pm-3m,id:mp-2442} |
| RD_388130611270_000 | computation | Reference Data From Materials Project: {formula:RbAu,spaceGroup:Pm-3m,id:mp-30373} |
| RD_388300108437_000 | computation | Reference Data From Materials Project: {formula:Sc2TcAu,spaceGroup:Fm-3m,id:mp-862378} |
| RD_389505993895_000 | computation | Reference Data From Materials Project: {formula:SmZnAu2,spaceGroup:Fm-3m,id:mp-867860} |
| RD_390066233570_000 | computation | Reference Data From Materials Project: {formula:Be2RuAu,spaceGroup:Fm-3m,id:mp-867307} |
| RD_390441096001_000 | computation | Reference Data From Materials Project: {formula:TmMgAu2,spaceGroup:Fm-3m,id:mp-865225} |
| RD_391138972995_000 | computation | Reference Data From Materials Project: {formula:Pb3Au,spaceGroup:I-42m,id:mp-30412} |
| RD_391502305815_000 | computation | Reference Data From Materials Project: {formula:Rb7Au5O2,spaceGroup:Immm,id:mp-510076} |
| RD_392333676292_000 | computation | Reference Data From Materials Project: {formula:Nb3Au2,spaceGroup:I4/mmm,id:mp-2123} |
| RD_392645435459_000 | computation | Reference Data From Materials Project: {formula:CeZnAu,spaceGroup:Pmnb,id:mp-13549} |
| RD_393583940346_000 | computation | Reference Data From Materials Project: {formula:Ba4Si20Au3,spaceGroup:Pm-3n,id:mp-17815} |
| RD_393755320425_000 | computation | Reference Data From Materials Project: {formula:VAu2,spaceGroup:Ccmm,id:mp-30423} |
| RD_394624392313_000 | computation | Au in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_395337270146_000 | computation | Reference Data From Materials Project: {formula:CaSbAu,spaceGroup:P6_3/mmc,id:mp-16245} |
| RD_397804705279_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:Pm-3m,id:mp-1264} |
| RD_397927084271_000 | computation | Reference Data From Materials Project: {formula:MgAu3,spaceGroup:Cmcm,id:mp-570017} |
| RD_398271626981_000 | computation | Reference Data From Materials Project: {formula:NaTeAu,spaceGroup:P6_3/mmc,id:mp-9264} |
| RD_399267639055_000 | computation | Reference Data From Materials Project: {formula:EuAsAu,spaceGroup:P6_3/mmc,id:mp-19729} |
| RD_399907726627_000 | computation | Reference Data From Materials Project: {formula:ZnAu2(CN)4,spaceGroup:P6_422,id:mp-542891} |
| RD_400154654245_000 | computation | Reference Data From Materials Project: {formula:Sb2Au,spaceGroup:Pa3,id:mp-738} |
| RD_400480387680_000 | computation | Reference Data From Materials Project: {formula:ScSiAu,spaceGroup:P-6m2,id:mp-9023} |
| RD_401895523677_000 | experiment | Experimental data collected from reference material at the University of Minnesota. Original source needs to be checked to verify ensemble and error values. |
| RD_402838920755_000 | computation | Reference Data From Materials Project: {formula:HoSnAu,spaceGroup:P6_3mc,id:mp-568814} |
| RD_403559933525_000 | computation | AlAu in AFLOW crystal prototype AB4_cP20_198_a_ab. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_404485365182_000 | computation | Reference Data From Materials Project: {formula:Au,spaceGroup:Fm-3m,id:mp-81} |
| RD_406875903513_000 | computation | Reference Data From Materials Project: {formula:LiThAu2,spaceGroup:Fm-3m,id:mp-865940} |
| RD_407625653020_000 | computation | Reference Data From Materials Project: {formula:TiAu,spaceGroup:Pm-3m,id:mp-11259} |
| RD_408084426632_000 | computation | Reference Data From Materials Project: {formula:MnAu,spaceGroup:Pm-3m,id:mp-12674} |
| RD_408559689773_000 | computation | Reference Data From Materials Project: {formula:YbAu,spaceGroup:Pm-3m,id:mp-2818} |
| RD_408808256361_000 | computation | Reference Data From Materials Project: {formula:HoSnAu,spaceGroup:F-43m,id:mp-30390} |
| RD_409472470068_000 | computation | Reference Data From Materials Project: {formula:ThInAu2,spaceGroup:Fm-3m,id:mp-622041} |
| RD_409858482591_000 | computation | Reference Data From Materials Project: {formula:In3Au10,spaceGroup:P6_3/m,id:mp-510099} |
| RD_410826247299_000 | computation | Reference Data From Materials Project: {formula:Cs2NaAu3(CN)6,spaceGroup:P6_3/mmc,id:mp-571248} |
| RD_411203007877_000 | computation | Reference Data From Materials Project: {formula:PrSnAu,spaceGroup:P6_3mc,id:mp-31412} |
| RD_411639136898_000 | computation | Reference Data From Materials Project: {formula:LaSnAu2,spaceGroup:Fm-3m,id:mp-867118} |
| RD_412526313102_000 | computation | Reference Data From Materials Project: {formula:Zn2AgAu,spaceGroup:Fm-3m,id:mp-31171} |
| RD_412759903331_000 | computation | Reference Data From Materials Project: {formula:MnAu,spaceGroup:Pm-3m,id:mp-12674} |
| RD_413044884571_000 | computation | Reference Data From Materials Project: {formula:YCdAu2,spaceGroup:Fm-3m,id:mp-865522} |
| RD_413523513500_000 | computation | Reference Data From Materials Project: {formula:Li2HgAu,spaceGroup:Fm-3m,id:mp-865714} |
| RD_415057245835_000 | computation | Reference Data From Materials Project: {formula:Tb5SbAu2,spaceGroup:I4/mcm,id:mp-569081} |
| RD_415095781679_000 | computation | Reference Data From Materials Project: {formula:Cd3Au,spaceGroup:P6_3cm,id:mp-30370} |
| RD_415218891567_000 | computation | Reference Data From Materials Project: {formula:ErInAu,spaceGroup:P-62m,id:mp-30375} |
| RD_415627494209_000 | computation | Reference Data From Materials Project: {formula:NaSrAu2,spaceGroup:Fm-3m,id:mp-865121} |
| RD_418174157474_000 | computation | Reference Data From Materials Project: {formula:Ba(SbAu)2,spaceGroup:P2_1/m,id:mp-570298} |
| RD_418469805890_000 | computation | Reference Data From Materials Project: {formula:MgAu3,spaceGroup:P6_3/mmc,id:mp-864935} |
| RD_419493425186_000 | computation | Reference Data From Materials Project: {formula:NpAu3,spaceGroup:Fm-3m,id:mp-864613} |
| RD_419494832555_000 | computation | Reference Data From Materials Project: {formula:YAuO2,spaceGroup:P6_3/mmc,id:mp-30251} |
| RD_420536435082_000 | computation | Reference Data From Materials Project: {formula:NaIn2Au,spaceGroup:Cmcm,id:mp-21352} |
| RD_420727937593_000 | computation | Reference Data From Materials Project: {formula:Ca2AsAu,spaceGroup:Fm-3m,id:mp-867113} |
| RD_420942033550_000 | computation | Reference Data From Materials Project: {formula:Cu3Au,spaceGroup:Pm-3m,id:mp-2258} |
| RD_421463556920_000 | computation | AlAu in AFLOW crystal prototype AB2_oP12_62_c_2c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_423321951391_000 | computation | Reference Data From Materials Project: {formula:ZrInAu,spaceGroup:F-43m,id:mp-961693} |
| RD_424971051169_000 | computation | Reference Data From Materials Project: {formula:Sr7Au3,spaceGroup:P6_3mc,id:mp-30422} |
| RD_426207119295_000 | computation | Reference Data From Materials Project: {formula:Yb2PdAu,spaceGroup:Fm-3m,id:mp-864800} |
| RD_427184906910_000 | computation | Reference Data From Materials Project: {formula:P10Au7I,spaceGroup:P-31m,id:mp-570238} |
| RD_429034396306_000 | computation | Reference Data From Materials Project: {formula:Zr3Au,spaceGroup:Pm-3n,id:mp-11263} |
| RD_429814123480_000 | computation | Reference Data From Materials Project: {formula:H6AuBrN2,spaceGroup:Pnma,id:mp-733613} |
| RD_429816932666_000 | computation | Reference Data From Materials Project: {formula:TiAu4,spaceGroup:I4/m,id:mp-12635} |
| RD_429898816520_000 | computation | Reference Data From Materials Project: {formula:K(SnAu)3,spaceGroup:Pmmn,id:mp-570936} |
| RD_430452192072_000 | computation | Reference Data From Materials Project: {formula:Th3Au4,spaceGroup:R-3,id:mp-865377} |
| RD_430613503287_000 | computation | Reference Data From Materials Project: {formula:PmGeAu2,spaceGroup:Fm-3m,id:mp-862909} |
| RD_431371568419_000 | computation | Reference Data From Materials Project: {formula:CaInAu2,spaceGroup:Fm-3m,id:mp-861960} |
| RD_431825097123_000 | computation | Reference Data From Materials Project: {formula:CuAu3,spaceGroup:Pm-3m,id:mp-2103} |
| RD_431980526490_000 | computation | Reference Data From Materials Project: {formula:RbUAuSe3,spaceGroup:Cmcm,id:mp-867830} |
| RD_432460151118_000 | computation | Reference Data From Materials Project: {formula:YSnAu,spaceGroup:P6_3mc,id:mp-567197} |
| RD_432929639944_000 | computation | Reference Data From Materials Project: {formula:MgCdAu2,spaceGroup:Fm-3m,id:mp-865150} |
| RD_432992527541_000 | computation | Reference Data From Materials Project: {formula:Sc2CuAu,spaceGroup:Fm-3m,id:mp-867756} |
| RD_433831388608_000 | computation | Reference Data From Materials Project: {formula:NaSiAu3,spaceGroup:Pa3,id:mp-13673} |
| RD_433888160727_000 | computation | Reference Data From Materials Project: {formula:Eu2PtAu,spaceGroup:Fm-3m,id:mp-867502} |
| RD_434282381119_000 | computation | Reference Data From Materials Project: {formula:BaSbAu,spaceGroup:P6_3/mmc,id:mp-568895} |
| RD_434501454549_000 | computation | Reference Data From Materials Project: {formula:Rb2Au3,spaceGroup:Immm,id:mp-11814} |
| RD_435120884424_000 | computation | Reference Data From Materials Project: {formula:AuCClO,spaceGroup:Ccmm,id:mp-561703} |
| RD_435451072270_000 | computation | Reference Data From Materials Project: {formula:BaAu2,spaceGroup:P6/mmm,id:mp-30363} |
| RD_436127847868_000 | computation | Reference Data From Materials Project: {formula:Sr2SbAu,spaceGroup:Fm-3m,id:mp-867168} |
| RD_436295037979_000 | computation | Reference Data From Materials Project: {formula:Ti3Au,spaceGroup:Pm-3n,id:mp-1786} |
| RD_436490338422_000 | computation | Reference Data From Materials Project: {formula:Mg13Au41,spaceGroup:P6_3/mcm,id:mp-30407} |
| RD_438568963215_000 | computation | Reference Data From Materials Project: {formula:SmInAu,spaceGroup:P-62m,id:mp-621351} |
| RD_438882376717_000 | computation | Reference Data From Materials Project: {formula:AcZnAu2,spaceGroup:Fm-3m,id:mp-861734} |
| RD_439130702696_000 | computation | Reference Data From Materials Project: {formula:PuCdAu2,spaceGroup:Fm-3m,id:mp-862859} |
| RD_440082367550_000 | computation | Reference Data From Materials Project: {formula:Ba2AsAu,spaceGroup:Fm-3m,id:mp-861937} |
| RD_440269336360_000 | computation | Reference Data From Materials Project: {formula:Ta5AuS,spaceGroup:F-43m,id:mp-669370} |
| RD_441482984663_000 | computation | Reference Data From Materials Project: {formula:Sr2PtAu,spaceGroup:Fm-3m,id:mp-862747} |
| RD_442195891007_000 | computation | Au in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_442619912890_000 | computation | Reference Data From Materials Project: {formula:MgZnAu2,spaceGroup:Fm-3m,id:mp-864922} |
| RD_442810098545_000 | computation | Reference Data From Materials Project: {formula:ScSnAu,spaceGroup:P6_3mc,id:mp-6919} |
| RD_442880385043_000 | computation | Reference Data From Materials Project: {formula:Yb2BiAu,spaceGroup:Fm-3m,id:mp-865800} |
| RD_442881204251_000 | computation | Reference Data From Materials Project: {formula:Pm2GeAu,spaceGroup:Fm-3m,id:mp-863684} |
| RD_445306831359_000 | computation | Reference Data From Materials Project: {formula:DyMgAu2,spaceGroup:Fm-3m,id:mp-867762} |
| RD_445423466031_000 | computation | Reference Data From Materials Project: {formula:YbZnAu2,spaceGroup:Fm-3m,id:mp-865431} |
| RD_446361251579_000 | computation | Reference Data From Materials Project: {formula:Ca4In3Au10,spaceGroup:Cmce,id:mp-645719} |
| RD_446760522506_000 | computation | Reference Data From Materials Project: {formula:Zn2AgAu,spaceGroup:Fm-3m,id:mp-31171} |
| RD_447276115486_000 | computation | Reference Data From Materials Project: {formula:Tb2Al6Si4Au,spaceGroup:R-3m,id:mp-11629} |
| RD_447365221785_000 | computation | Reference Data From Materials Project: {formula:YbGa7Au3,spaceGroup:R-3c,id:mp-17668} |
| RD_447777073273_000 | computation | Reference Data From Materials Project: {formula:AlAu4,spaceGroup:P2_13,id:mp-1490} |
| RD_448240048980_000 | computation | Reference Data From Materials Project: {formula:LaInAu,spaceGroup:P-62m,id:mp-21438} |
| RD_448407277921_000 | computation | Reference Data From Materials Project: {formula:V3Au,spaceGroup:Pm-3n,id:mp-839} |
| RD_448590154608_000 | computation | Reference Data From Materials Project: {formula:SnAu5,spaceGroup:R32,id:mp-30418} |
| RD_448732299481_000 | computation | Reference Data From Materials Project: {formula:TiZnAu2,spaceGroup:Fm-3m,id:mp-865730} |
| RD_449551534688_000 | computation | Reference Data From Materials Project: {formula:UInAu2,spaceGroup:Fm-3m,id:mp-20358} |
| RD_449804826120_000 | computation | Reference Data From Materials Project: {formula:GaAuO2,spaceGroup:P6_3/mmc,id:mp-11021} |
| RD_450935785495_000 | computation | Reference Data From Materials Project: {formula:RbAu5,spaceGroup:P6/mmm,id:mp-1209} |
| RD_451576612359_000 | computation | Reference Data From Materials Project: {formula:ScSiAu,spaceGroup:P-6m2,id:mp-9023} |
| RD_452267500175_000 | computation | Reference Data From Materials Project: {formula:Ac2IrAu,spaceGroup:Fm-3m,id:mp-865951} |
| RD_453820199421_000 | computation | Reference Data From Materials Project: {formula:YPbAu,spaceGroup:F-43m,id:mp-621592} |
| RD_454022900699_000 | computation | Reference Data From Materials Project: {formula:CeMgAu,spaceGroup:P-62m,id:mp-759835} |
| RD_454398382790_000 | computation | Reference Data From Materials Project: {formula:PaGaAu2,spaceGroup:Fm-3m,id:mp-864716} |
| RD_455854920308_000 | computation | Reference Data From Materials Project: {formula:TbSnAu2,spaceGroup:Fm-3m,id:mp-864599} |
| RD_456222338503_000 | computation | Reference Data From Materials Project: {formula:K3Sb2Au3,spaceGroup:R-3m,id:mp-9273} |
| RD_457001374202_000 | computation | Reference Data From Materials Project: {formula:Dy5SbAu2,spaceGroup:I4/mcm,id:mp-581281} |
| RD_457579349475_000 | computation | Reference Data From Materials Project: {formula:RbAuN12,spaceGroup:C2/c,id:mp-571181} |
| RD_458401418460_000 | computation | Reference Data From Materials Project: {formula:Sb2Au,spaceGroup:Pa3,id:mp-738} |
| RD_458828539567_000 | computation | AuCd in AFLOW crystal prototype AB3_hP24_185_c_ab2c (Cu3P). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_459169119189_000 | computation | Reference Data From Materials Project: {formula:LiLuAu2,spaceGroup:Fm-3m,id:mp-867903} |
| RD_460006668008_000 | computation | Reference Data From Materials Project: {formula:CdSbAu,spaceGroup:F-43m,id:mp-16246} |
| RD_462025883720_000 | computation | Reference Data From Materials Project: {formula:Zn3Au,spaceGroup:Pm-3n,id:mp-30424} |
| RD_462526062792_000 | computation | Reference Data From Materials Project: {formula:H3AuC2NCl,spaceGroup:P2_1,id:mp-569084} |
| RD_463137091677_000 | computation | Reference Data From Materials Project: {formula:CsAu3S2,spaceGroup:P-3m1,id:mp-9384} |
| RD_463936302535_000 | computation | Reference Data From Materials Project: {formula:LaCdAu2,spaceGroup:Fm-3m,id:mp-862743} |
| RD_464708737511_000 | computation | Reference Data From Materials Project: {formula:MgZrAu2,spaceGroup:Fm-3m,id:mp-864920} |
| RD_465044944387_000 | computation | AuCd in AFLOW crystal prototype A3B5_tI32_140_ah_bk (W5Si3). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_465957319174_000 | computation | Reference Data From Materials Project: {formula:Li2SnAu,spaceGroup:F-43m,id:mp-30405} |
| RD_465992034239_000 | computation | Reference Data From Materials Project: {formula:LiSbAu,spaceGroup:F-43m,id:mp-12564} |
| RD_467830515934_000 | computation | Reference Data From Materials Project: {formula:PmSnAu2,spaceGroup:Fm-3m,id:mp-862956} |
| RD_468318258604_000 | computation | Reference Data From Materials Project: {formula:SmAu,spaceGroup:Pm-3m,id:mp-11257} |
| RD_468424382954_000 | computation | Reference Data From Materials Project: {formula:Ti3Au,spaceGroup:Pm-3n,id:mp-1786} |
| RD_468731942251_000 | computation | Reference Data From Materials Project: {formula:BaAu,spaceGroup:Pmcn,id:mp-570775} |
| RD_469800683245_000 | computation | AuCd in AFLOW crystal prototype A3B_cP4_221_c_a (Cu3Au). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_470761261654_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_470857044913_000 | computation | Reference Data From Materials Project: {formula:AlAu4,spaceGroup:P2_13,id:mp-1490} |
| RD_470930131752_000 | computation | Reference Data From Materials Project: {formula:SmPbAu2,spaceGroup:Fm-3m,id:mp-867985} |
| RD_471654502060_000 | computation | Reference Data From Materials Project: {formula:LuSnAu,spaceGroup:F-43m,id:mp-5177} |
| RD_472017619838_000 | computation | Reference Data From Materials Project: {formula:AgAuF4,spaceGroup:I4/mcm,id:mp-16060} |
| RD_473319230479_000 | computation | Reference Data From Materials Project: {formula:K4Ge2Au7,spaceGroup:R-3m,id:mp-9201} |
| RD_473810587530_000 | computation | Reference Data From Materials Project: {formula:TlAu(CN)2,spaceGroup:Pcnb,id:mp-569173} |
| RD_473857800016_000 | computation | Reference Data From Materials Project: {formula:K5Au(IO)2,spaceGroup:Pmcb,id:mp-558332} |
| RD_473865042829_000 | computation | Reference Data From Materials Project: {formula:ZrGaAu,spaceGroup:P-6m2,id:mp-12951} |
| RD_474443180507_000 | computation | Reference Data From Materials Project: {formula:NdInAu2,spaceGroup:Fm-3m,id:mp-568139} |
| RD_475801216707_000 | computation | Reference Data From Materials Project: {formula:CaCdAu,spaceGroup:Pmnb,id:mp-569628} |
| RD_477023152139_000 | computation | Reference Data From Materials Project: {formula:Pr2Au5F21,spaceGroup:P4_12_12,id:mp-14715} |
| RD_477221024247_000 | computation | Reference Data From Materials Project: {formula:GdSnAu,spaceGroup:F-43m,id:mp-20514} |
| RD_477480334697_000 | computation | Reference Data From Materials Project: {formula:Y3Sb4Au3,spaceGroup:I-43d,id:mp-13654} |
| RD_477730745589_000 | computation | Reference Data From Materials Project: {formula:SrBiAu,spaceGroup:P6_3/mmc,id:mp-31141} |
| RD_478938956876_000 | computation | Reference Data From Materials Project: {formula:Tl2Au4S3,spaceGroup:Pnmm,id:mp-29898} |
| RD_479021638686_000 | computation | Reference Data From Materials Project: {formula:Bi2Au5F21,spaceGroup:P4_12_12,id:mp-557090} |
| RD_479651003874_000 | computation | Reference Data From Materials Project: {formula:CeCdAu2,spaceGroup:Fm-3m,id:mp-866185} |
| RD_480019011234_000 | computation | Reference Data From Materials Project: {formula:Ta3Au,spaceGroup:Pm-3n,id:mp-569249} |
| RD_480504570989_000 | computation | Reference Data From Materials Project: {formula:NdSnAu,spaceGroup:P6_3mc,id:mp-5646} |
| RD_481459392284_000 | computation | Reference Data From Materials Project: {formula:YGeAu,spaceGroup:P6_3mc,id:mp-10098} |
| RD_482551429924_000 | computation | Reference Data From Materials Project: {formula:LiLuAu2,spaceGroup:Fm-3m,id:mp-867903} |
| RD_482773458385_000 | computation | Reference Data From Materials Project: {formula:GdCdAu2,spaceGroup:Fm-3m,id:mp-866167} |
| RD_484400690628_000 | computation | Reference Data From Materials Project: {formula:ErSnAu,spaceGroup:P6_3mc,id:mp-13303} |
| RD_487719363304_000 | computation | Reference Data From Materials Project: {formula:Sr(SiAu)2,spaceGroup:I4/mmm,id:mp-7365} |