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_488341661579_000 | computation | Reference Data From Materials Project: {formula:LiYAu2,spaceGroup:Fm-3m,id:mp-867822} |
| RD_489906589485_000 | computation | Reference Data From Materials Project: {formula:DyCdAu2,spaceGroup:Fm-3m,id:mp-867827} |
| RD_490179891263_000 | computation | Reference Data From Materials Project: {formula:TeAuCl7,spaceGroup:P-1,id:mp-28330} |
| RD_490833880222_000 | computation | Reference Data From Materials Project: {formula:CsAuSe,spaceGroup:Ccmm,id:mp-574599} |
| RD_490878676553_000 | computation | Reference Data From Materials Project: {formula:Ag3AuSe2,spaceGroup:I4_132,id:mp-3172} |
| RD_491689716192_000 | computation | Reference Data From Materials Project: {formula:KNiAu3(CN)6,spaceGroup:P312,id:mp-567861} |
| RD_491943259026_000 | computation | Reference Data From Materials Project: {formula:Sm2Au5F21,spaceGroup:P4_12_12,id:mp-8778} |
| RD_492411925415_000 | computation | Reference Data From Materials Project: {formula:Au2S,spaceGroup:Pn-3m,id:mp-947} |
| RD_492449582056_000 | computation | Reference Data From Materials Project: {formula:AuClO,spaceGroup:R-3,id:mp-27265} |
| RD_492745568737_000 | computation | Reference Data From Materials Project: {formula:Na2TiAu,spaceGroup:Fm-3m,id:mp-631554} |
| RD_493203194345_000 | computation | Reference Data From Materials Project: {formula:ErGeAu,spaceGroup:P6_3mc,id:mp-12563} |
| RD_493820357669_000 | computation | Reference Data From Materials Project: {formula:LuAu,spaceGroup:Pm-3m,id:mp-11249} |
| RD_494004614244_000 | computation | Reference Data From Materials Project: {formula:Sb2Au,spaceGroup:Pa3,id:mp-738} |
| RD_494396847143_000 | computation | Reference Data From Materials Project: {formula:LiGaAu2,spaceGroup:Fm-3m,id:mp-861900} |
| RD_494938724549_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_495884970890_000 | computation | Reference Data From Materials Project: {formula:PuSnAu2,spaceGroup:Fm-3m,id:mp-861599} |
| RD_496422512194_000 | computation | Reference Data From Materials Project: {formula:V3Au,spaceGroup:Pm-3m,id:mp-570698} |
| RD_496697534859_000 | computation | Reference Data From Materials Project: {formula:KAu(IO3)4,spaceGroup:P1,id:mp-557441} |
| RD_497725791648_000 | computation | Reference Data From Materials Project: {formula:KAu5,spaceGroup:P6/mmm,id:mp-1298} |
| RD_497801898238_000 | computation | Reference Data From Materials Project: {formula:LuGeAu,spaceGroup:P6_3mc,id:mp-9351} |
| RD_498252419743_000 | computation | Reference Data From Materials Project: {formula:LiSnAu2,spaceGroup:Fm-3m,id:mp-865710} |
| RD_498520336876_000 | computation | Reference Data From Materials Project: {formula:EuSnAu2,spaceGroup:Fm-3m,id:mp-867138} |
| RD_499283774927_000 | computation | Reference Data From Materials Project: {formula:Au(OF3)2,spaceGroup:P-1,id:mp-3530} |
| RD_500058525459_000 | computation | Reference Data From Materials Project: {formula:HfGaAu,spaceGroup:P-6m2,id:mp-12952} |
| RD_500596837092_000 | computation | Reference Data From Materials Project: {formula:TbInAu2,spaceGroup:Fm-3m,id:mp-567210} |
| RD_501871311330_000 | computation | Reference Data From Materials Project: {formula:NaSiAu3,spaceGroup:Pa3,id:mp-13673} |
| RD_501935074705_000 | computation | Reference Data From Materials Project: {formula:Ga2Au7,spaceGroup:P-62m,id:mp-571598} |
| RD_502134057619_000 | computation | Reference Data From Materials Project: {formula:NaAuCl4,spaceGroup:P2_1/c,id:mp-570193} |
| RD_502417980033_000 | computation | Reference Data From Materials Project: {formula:KGeAuS3,spaceGroup:P2_1/c,id:mp-554859} |
| RD_502627049523_000 | computation | Reference Data From Materials Project: {formula:CeAgAu2,spaceGroup:Fm-3m,id:mp-865862} |
| RD_502989404573_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_503047256527_000 | computation | Reference Data From Materials Project: {formula:LiYAu2,spaceGroup:Fm-3m,id:mp-867822} |
| RD_505287196578_000 | computation | Reference Data From Materials Project: {formula:Lu2ZnAu,spaceGroup:Fm-3m,id:mp-865406} |
| RD_505996505232_000 | computation | Reference Data From Materials Project: {formula:Rb3Ge4Au,spaceGroup:Pnmm,id:mp-17830} |
| RD_506592835625_000 | computation | Reference Data From Materials Project: {formula:Li2SbAu,spaceGroup:F-43m,id:mp-30404} |
| RD_506666501548_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_506755975075_000 | computation | Reference Data From Materials Project: {formula:PmPbAu2,spaceGroup:Fm-3m,id:mp-862951} |
| RD_507665660505_000 | computation | Reference Data From Materials Project: {formula:Nb3Au,spaceGroup:Pm-3n,id:mp-2752} |
| RD_508957715634_000 | computation | Reference Data From Materials Project: {formula:PaInAu2,spaceGroup:Fm-3m,id:mp-862819} |
| RD_509576798102_000 | computation | Reference Data From Materials Project: {formula:LiSc2Au,spaceGroup:Fm-3m,id:mp-864772} |
| RD_510553527999_000 | computation | Reference Data From Materials Project: {formula:AuSeCl7,spaceGroup:P2_1/c,id:mp-28372} |
| RD_511298429441_000 | computation | Reference Data From Materials Project: {formula:AlAu4,spaceGroup:P2_13,id:mp-1490} |
| RD_511606815389_000 | computation | Reference Data From Materials Project: {formula:PuAu3,spaceGroup:P6_3/mmc,id:mp-861592} |
| RD_511903692934_000 | computation | Reference Data From Materials Project: {formula:ThAu2,spaceGroup:P6/mmm,id:mp-1025} |
| RD_512131620009_000 | computation | Reference Data From Materials Project: {formula:Pu(SiAu)2,spaceGroup:I4/mmm,id:mp-541381} |
| RD_513335727526_000 | computation | Reference Data From Materials Project: {formula:MnAu,spaceGroup:P4/mmm,id:mp-12675} |
| RD_513985037654_000 | computation | Reference Data From Materials Project: {formula:HoInAu2,spaceGroup:Fm-3m,id:mp-30388} |
| RD_514086319279_000 | computation | Reference Data From Materials Project: {formula:TlAuCl4,spaceGroup:C2/c,id:mp-28368} |
| RD_514194324670_000 | computation | Reference Data From Materials Project: {formula:LaTlAu2,spaceGroup:Fm-3m,id:mp-867814} |
| RD_516574133771_000 | computation | Reference Data From Materials Project: {formula:BeAu,spaceGroup:P2_13,id:mp-30365} |
| RD_516776064021_000 | computation | Reference Data From Materials Project: {formula:LiScAu2,spaceGroup:Fm-3m,id:mp-862815} |
| RD_517395353713_000 | computation | Reference Data From Materials Project: {formula:Cs2AgAuCl6,spaceGroup:I4/mmm,id:mp-567776} |
| RD_517903020178_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_518360030978_000 | computation | Reference Data From Materials Project: {formula:SiBAu,spaceGroup:F-43m,id:mp-631562} |
| RD_518592539578_000 | computation | Reference Data From Materials Project: {formula:Ca3AuN,spaceGroup:Pm-3m,id:mp-9040} |
| RD_518861723991_000 | computation | Reference Data From Materials Project: {formula:Al2Au,spaceGroup:Fm-3m,id:mp-2647} |
| RD_521937841826_000 | computation | Reference Data From Materials Project: {formula:EuInAu2,spaceGroup:Fm-3m,id:mp-866021} |
| RD_522192786920_000 | computation | Reference Data From Materials Project: {formula:CeMgAu,spaceGroup:P-62m,id:mp-759835} |
| RD_523093588892_000 | computation | Reference Data From Materials Project: {formula:USiAu,spaceGroup:P-6m2,id:mp-9487} |
| RD_523298237705_000 | computation | Reference Data From Materials Project: {formula:Ca3Au,spaceGroup:Pbnm,id:mp-30366} |
| RD_523445939457_000 | computation | Reference Data From Materials Project: {formula:MgAu,spaceGroup:Pm-3m,id:mp-437} |
| RD_523670580582_000 | computation | Reference Data From Materials Project: {formula:EuSbAu,spaceGroup:P6_3/mmc,id:mp-22475} |
| RD_524939887513_000 | computation | Reference Data From Materials Project: {formula:NaSrAu2,spaceGroup:Fm-3m,id:mp-865121} |
| RD_524983536441_000 | computation | Reference Data From Materials Project: {formula:Li2SbAu,spaceGroup:F-43m,id:mp-30404} |
| RD_525991032496_000 | computation | Reference Data From Materials Project: {formula:Au2S,spaceGroup:Pn-3m,id:mp-947} |
| RD_526192606159_000 | computation | Reference Data From Materials Project: {formula:Li2SbAu,spaceGroup:F-43m,id:mp-30404} |
| RD_526947930731_000 | computation | Reference Data From Materials Project: {formula:YbCdAu,spaceGroup:Pmnb,id:mp-11085} |
| RD_528518481118_000 | computation | Reference Data From Materials Project: {formula:RbAu5,spaceGroup:P6/mmm,id:mp-1209} |
| RD_529058204581_000 | computation | Reference Data From Materials Project: {formula:TbMgAu2,spaceGroup:Fm-3m,id:mp-866068} |
| RD_529088943833_000 | computation | Reference Data From Materials Project: {formula:Re2AuSe,spaceGroup:F-43m,id:mp-631573} |
| RD_529254323356_000 | computation | Reference Data From Materials Project: {formula:Li2Sn2Au,spaceGroup:I4_1/amd,id:mp-31496} |
| RD_529467559681_000 | computation | Reference Data From Materials Project: {formula:Bi2AuO5,spaceGroup:P4/ncc,id:mp-618309} |
| RD_529586916102_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_531912988004_000 | computation | Reference Data From Materials Project: {formula:CeGeAu,spaceGroup:P6_3mc,id:mp-4219} |
| RD_531991297330_000 | computation | Reference Data From Materials Project: {formula:ErInAu2,spaceGroup:Fm-3m,id:mp-30376} |
| RD_532405726914_000 | computation | Reference Data From Materials Project: {formula:YAuO2,spaceGroup:P6_3/mmc,id:mp-30251} |
| RD_533018133817_000 | computation | Reference Data From Materials Project: {formula:LiSn4Au3,spaceGroup:P6_3mc,id:mp-31301} |
| RD_533113390158_000 | computation | Reference Data From Materials Project: {formula:MnAlAu2,spaceGroup:Fm-3m,id:mp-5491} |
| RD_533353351464_000 | computation | Reference Data From Materials Project: {formula:Na5Te2H36AuO28,spaceGroup:P-1,id:mp-723082} |
| RD_533357570893_000 | computation | Reference Data From Materials Project: {formula:CaInAu,spaceGroup:Pmnb,id:mp-20378} |
| RD_534543382847_000 | computation | Reference Data From Materials Project: {formula:ScAlAu2,spaceGroup:Fm-3m,id:mp-10873} |
| RD_535449339059_000 | computation | Reference Data From Materials Project: {formula:Mg2PdAu,spaceGroup:Fm-3m,id:mp-864972} |
| RD_535861006293_000 | computation | Reference Data From Materials Project: {formula:TbAu,spaceGroup:Pm-3m,id:mp-11258} |
| RD_536081747265_000 | computation | Reference Data From Materials Project: {formula:KAuN12,spaceGroup:C2/c,id:mp-567218} |
| RD_536586509895_000 | computation | Reference Data From Materials Project: {formula:MgSnAu,spaceGroup:F-43m,id:mp-5549} |
| RD_536737232332_000 | computation | Reference Data From Materials Project: {formula:NaNdAu2,spaceGroup:Fm-3m,id:mp-865113} |
| RD_536792679480_000 | computation | Reference Data From Materials Project: {formula:ThCdAu2,spaceGroup:Fm-3m,id:mp-867353} |
| RD_538996077985_000 | computation | Reference Data From Materials Project: {formula:Pm2GeAu,spaceGroup:Fm-3m,id:mp-863684} |
| RD_539636742448_000 | computation | Reference Data From Materials Project: {formula:NdSnAu2,spaceGroup:Fm-3m,id:mp-864668} |
| RD_539682203716_000 | computation | Reference Data From Materials Project: {formula:Yb5Au4,spaceGroup:Pnam,id:mp-570527} |
| RD_541346468517_000 | computation | Reference Data From Materials Project: {formula:CaSbAu,spaceGroup:P6_3/mmc,id:mp-16245} |
| RD_541659245244_000 | computation | Reference Data From Materials Project: {formula:SrSbAu,spaceGroup:P6_3/mmc,id:mp-11815} |
| RD_542257490634_000 | computation | Reference Data From Materials Project: {formula:Gd2Au5F21,spaceGroup:P4_12_12,id:mp-557726} |
| RD_542385693644_000 | computation | Reference Data From Materials Project: {formula:Eu3AuO6,spaceGroup:P-1,id:mp-21389} |
| RD_542689279723_000 | computation | Reference Data From Materials Project: {formula:ScInAu2,spaceGroup:Fm-3m,id:mp-30395} |
| RD_542722860517_000 | computation | Reference Data From Materials Project: {formula:CeAl7Au3,spaceGroup:R-3c,id:mp-11031} |
| RD_543771283895_000 | computation | Reference Data From Materials Project: {formula:Pm2RuAu,spaceGroup:Fm-3m,id:mp-863733} |
| RD_543967230526_000 | computation | Reference Data From Materials Project: {formula:Tm2OsAu,spaceGroup:Fm-3m,id:mp-865369} |
| RD_544573827803_000 | computation | Reference Data From Materials Project: {formula:Ta3Au,spaceGroup:Pm-3n,id:mp-569249} |
| RD_544715697824_000 | computation | Reference Data From Materials Project: {formula:Na4CoAuO5,spaceGroup:Cmcm,id:mp-613344} |
| RD_544819348192_000 | computation | Reference Data From Materials Project: {formula:PaTlAu2,spaceGroup:Fm-3m,id:mp-862830} |
| RD_544820665654_000 | computation | Reference Data From Materials Project: {formula:Dy(SiAu)2,spaceGroup:I4/mmm,id:mp-2954} |
| RD_545025240261_000 | computation | Reference Data From Materials Project: {formula:LiGdAu2,spaceGroup:Fm-3m,id:mp-867244} |
| RD_545106171568_000 | computation | Reference Data From Materials Project: {formula:Gd(SiAu)2,spaceGroup:I4/mmm,id:mp-22615} |
| RD_547861865807_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_547926628271_000 | computation | Reference Data From Materials Project: {formula:CeGeAu,spaceGroup:F-43m,id:mp-20275} |
| RD_549606743719_000 | computation | Reference Data From Materials Project: {formula:TiAuCl,spaceGroup:F-43m,id:mp-962077} |
| RD_550397861852_000 | computation | Reference Data From Materials Project: {formula:Li2SnAu,spaceGroup:F-43m,id:mp-30405} |
| RD_550904095821_000 | computation | Reference Data From Materials Project: {formula:MnAu,spaceGroup:Pm-3m,id:mp-12674} |
| RD_551312864718_000 | computation | Reference Data From Materials Project: {formula:Ga2Au,spaceGroup:Fm-3m,id:mp-2776} |
| RD_551406464285_000 | computation | Reference Data From Materials Project: {formula:Th2AuF11,spaceGroup:I4/mcm,id:mp-29890} |
| RD_551421075557_000 | computation | Reference Data From Materials Project: {formula:Lu2AgAu,spaceGroup:Fm-3m,id:mp-865445} |
| RD_551990889953_000 | computation | Reference Data From Materials Project: {formula:Dy2InAu2,spaceGroup:P4/mbm,id:mp-21866} |
| RD_552146138195_000 | computation | Reference Data From Materials Project: {formula:Na2Sn3Au,spaceGroup:P6_3/mmc,id:mp-570351} |
| RD_552293970792_000 | computation | Reference Data From Materials Project: {formula:YbCdAu2,spaceGroup:Fm-3m,id:mp-865740} |
| RD_553215519411_000 | computation | Reference Data From Materials Project: {formula:In2Au,spaceGroup:Fm-3m,id:mp-22154} |
| RD_553343684903_000 | computation | Reference Data From Materials Project: {formula:Sc2CuAu,spaceGroup:Fm-3m,id:mp-867756} |
| RD_553550455184_000 | computation | Reference Data From Materials Project: {formula:K2SbAu,spaceGroup:Cmcm,id:mp-867335} |
| RD_554649716020_000 | computation | Reference Data From Materials Project: {formula:LiSnAu2,spaceGroup:Fm-3m,id:mp-865710} |
| RD_555725044395_000 | computation | Reference Data From Materials Project: {formula:CsTeAu,spaceGroup:Pmmb,id:mp-573755} |
| RD_556291651645_000 | computation | Reference Data From Materials Project: {formula:KAu(NO3)4,spaceGroup:P2_1/c,id:mp-555085} |
| RD_556409858093_000 | computation | Reference Data From Materials Project: {formula:AcAgAu2,spaceGroup:Fm-3m,id:mp-862972} |
| RD_556850726619_000 | computation | Reference Data From Materials Project: {formula:Er5BiAu2,spaceGroup:I4/mcm,id:mp-568686} |
| RD_558185736098_000 | computation | Reference Data From Materials Project: {formula:AuSCl5,spaceGroup:P2_1/c,id:mp-28192} |
| RD_558264695704_000 | computation | Reference Data From Materials Project: {formula:Dy2Al6Si4Au,spaceGroup:R-3m,id:mp-11631} |
| RD_558664271177_000 | computation | Reference Data From Materials Project: {formula:ZrAlAu2,spaceGroup:Fm-3m,id:mp-864878} |
| RD_558796479487_000 | computation | Reference Data From Materials Project: {formula:TbLiAu2,spaceGroup:Fm-3m,id:mp-864824} |
| RD_559147951834_000 | computation | Reference Data From Materials Project: {formula:LiAu3,spaceGroup:Pm-3m,id:mp-11248} |
| RD_559183154062_000 | computation | Reference Data From Materials Project: {formula:AuSe,spaceGroup:P6_3/mmc,id:mp-10678} |
| RD_559732069322_000 | computation | Reference Data From Materials Project: {formula:CeAu3,spaceGroup:P6_3/mmc,id:mp-865572} |
| RD_560260169491_000 | computation | Reference Data From Materials Project: {formula:Li5AuO4,spaceGroup:Fddd,id:mp-757242} |
| RD_560490397704_000 | computation | Reference Data From Materials Project: {formula:CeCdAu,spaceGroup:P-62m,id:mp-11082} |
| RD_560585351618_000 | computation | Reference Data From Materials Project: {formula:AuSO4,spaceGroup:Pcab,id:mp-30003} |
| RD_561519436665_000 | computation | Reference Data From Materials Project: {formula:HoSnAu,spaceGroup:F-43m,id:mp-30390} |
| RD_561761468529_000 | computation | Reference Data From Materials Project: {formula:LiAlAu2,spaceGroup:Fm-3m,id:mp-862717} |
| RD_562010625003_000 | computation | Reference Data From Materials Project: {formula:Ga2Au7,spaceGroup:P-62m,id:mp-571598} |
| RD_562415707879_000 | computation | Reference Data From Materials Project: {formula:AuSe,spaceGroup:P6_3/mmc,id:mp-10678} |
| RD_562525913101_000 | computation | Reference Data From Materials Project: {formula:Cd5Au3,spaceGroup:I4/mcm,id:mp-30371} |
| RD_562859191689_000 | computation | Reference Data From Materials Project: {formula:PrInAu2,spaceGroup:Fm-3m,id:mp-570611} |
| RD_562953342472_000 | computation | Reference Data From Materials Project: {formula:LaAgAu2,spaceGroup:Fm-3m,id:mp-867910} |
| RD_563047899857_000 | computation | Reference Data From Materials Project: {formula:Sn4Au,spaceGroup:Ccce,id:mp-1393} |
| RD_563314772710_000 | computation | Reference Data From Materials Project: {formula:TmSnAu,spaceGroup:F-43m,id:mp-3462} |
| RD_563420620208_000 | computation | Reference Data From Materials Project: {formula:Mg3Au,spaceGroup:P-3c1,id:mp-1557} |
| RD_563675487494_000 | computation | Reference Data From Materials Project: {formula:Ba(AuF4)2,spaceGroup:I-4,id:mp-28719} |
| RD_564170105720_000 | computation | Reference Data From Materials Project: {formula:Pm2SiAu,spaceGroup:Fm-3m,id:mp-865545} |
| RD_566433894231_000 | computation | Reference Data From Materials Project: {formula:MnSnAu,spaceGroup:F-43m,id:mp-22027} |
| RD_567781814454_000 | computation | Reference Data From Materials Project: {formula:Ca5Au3,spaceGroup:I4/mcm,id:mp-30368} |
| RD_567788350564_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_569042470360_000 | computation | Reference Data From Materials Project: {formula:CeInAu,spaceGroup:P-62m,id:mp-19718} |
| RD_569061056045_000 | computation | Reference Data From Materials Project: {formula:Sm(SiAu)2,spaceGroup:I4/mmm,id:mp-13466} |
| RD_569985528618_000 | computation | Reference Data From Materials Project: {formula:Ce3Sb3Au2,spaceGroup:P6_3/mmc,id:mp-569941} |
| RD_570755781097_000 | experiment | Experimental data collected from reference material at the University of Minnesota. Internal Reference: Inorganic Crystal Structure Database; Temp reported as Room Temp; Pressure assumed to be standard; |
| RD_570807479376_000 | computation | Reference Data From Materials Project: {formula:Ni(AuF4)2,spaceGroup:P2_1/c,id:mp-616127} |
| RD_570845741399_000 | computation | Reference Data From Materials Project: {formula:NaCeAu2,spaceGroup:Fm-3m,id:mp-865080} |
| RD_571750186864_000 | computation | Reference Data From Materials Project: {formula:PaCdAu2,spaceGroup:Fm-3m,id:mp-861973} |
| RD_572133067546_000 | computation | Reference Data From Materials Project: {formula:Cu3Au,spaceGroup:Pm-3m,id:mp-2258} |
| RD_572373868311_000 | computation | Reference Data From Materials Project: {formula:PrInAu,spaceGroup:P-62m,id:mp-621132} |
| RD_572604439155_000 | computation | Intrinsic stacking fault energy (gamma_isf) fcc Au at zero temperature computed using density functional theory (DFT) by Kibey et al. (2007). |
| RD_572991854010_000 | computation | Reference Data From Materials Project: {formula:Eu(SiAu)2,spaceGroup:I4/mmm,id:mp-21229} |
| RD_573609113659_000 | computation | Reference Data From Materials Project: {formula:SnAu,spaceGroup:P6_3/mmc,id:mp-1775} |
| RD_573858425173_000 | computation | Reference Data From Materials Project: {formula:Na8In6Au11,spaceGroup:Pcmb,id:mp-607853} |
| RD_574628844980_000 | computation | Reference Data From Materials Project: {formula:NaAcAu2,spaceGroup:Fm-3m,id:mp-864803} |
| RD_575518972453_000 | computation | Reference Data From Materials Project: {formula:PrAu,spaceGroup:Pm-3m,id:mp-11255} |
| RD_575760107602_000 | computation | Reference Data From Materials Project: {formula:RbUTe3Au,spaceGroup:Cmcm,id:mp-867843} |
| RD_575804862049_000 | computation | Reference Data From Materials Project: {formula:PmAgAu2,spaceGroup:Fm-3m,id:mp-862872} |
| RD_576338006479_000 | computation | Reference Data From Materials Project: {formula:LaH6Au3C6(N2O)3,spaceGroup:P6_3/mcm,id:mp-542688} |
| RD_576636995531_000 | computation | Reference Data From Materials Project: {formula:MnAlAu2,spaceGroup:Fm-3m,id:mp-5491} |
| RD_578182740112_000 | computation | Reference Data From Materials Project: {formula:SmAgAu2,spaceGroup:Fm-3m,id:mp-867254} |
| RD_578614516951_000 | computation | Reference Data From Materials Project: {formula:GaAu2,spaceGroup:Ccm2_1,id:mp-30380} |
| RD_579605697853_000 | computation | Reference Data From Materials Project: {formula:BaGdAuSe3,spaceGroup:Cmcm,id:mp-19942} |
| RD_580197512528_000 | computation | Reference Data From Materials Project: {formula:Li15Au4,spaceGroup:I-43d,id:mp-567395} |
| RD_580226863899_000 | computation | Reference Data From Materials Project: {formula:PmLiAu2,spaceGroup:Fm-3m,id:mp-862926} |
| RD_580234193188_000 | computation | Reference Data From Materials Project: {formula:Pd(AuF4)2,spaceGroup:P2_1/c,id:mp-8585} |
| RD_580868319051_000 | computation | Reference Data From Materials Project: {formula:Mg3Au,spaceGroup:P6_3cm,id:mp-17783} |
| RD_581384040698_000 | computation | Reference Data From Materials Project: {formula:Ce(SiAu2)2,spaceGroup:P-4m2,id:mp-601420} |
| RD_581467153467_000 | computation | Reference Data From Materials Project: {formula:DyInAu,spaceGroup:P-62m,id:mp-22177} |
| RD_583161004098_000 | computation | Reference Data From Materials Project: {formula:YbMgAu,spaceGroup:Pmnb,id:mp-11080} |
| RD_583620628768_000 | computation | Reference Data From Materials Project: {formula:HoGeAu,spaceGroup:P6_3mc,id:mp-5519} |
| RD_584645219281_000 | computation | Reference Data From Materials Project: {formula:PaTe2Au,spaceGroup:Fm-3m,id:mp-862829} |
| RD_585252805939_000 | computation | Reference Data From Materials Project: {formula:Mn2Au,spaceGroup:I4/mmm,id:mp-30409} |
| RD_585717999449_000 | computation | Reference Data From Materials Project: {formula:LiAu3,spaceGroup:Pm-3m,id:mp-11248} |
| RD_585818895428_000 | computation | Reference Data From Materials Project: {formula:YAu,spaceGroup:Pm-3m,id:mp-11261} |
| RD_587691674532_000 | computation | Reference Data From Materials Project: {formula:PAuS4,spaceGroup:P-1,id:mp-30938} |
| RD_589007682654_000 | computation | Reference Data From Materials Project: {formula:TbAu,spaceGroup:Pm-3m,id:mp-11258} |
| RD_589811132701_000 | computation | Reference Data From Materials Project: {formula:La4Au2O9,spaceGroup:Pbna,id:mp-9160} |
| RD_590183829909_000 | computation | Reference Data From Materials Project: {formula:ErInAu,spaceGroup:P-62m,id:mp-30375} |
| RD_590439328339_000 | computation | Reference Data From Materials Project: {formula:RbAu(CN)2,spaceGroup:C2/c,id:mp-568381} |
| RD_591685385328_000 | computation | Reference Data From Materials Project: {formula:ZrInAu,spaceGroup:F-43m,id:mp-961693} |
| RD_592499649635_000 | computation | Reference Data From Materials Project: {formula:Rb2SbAuS4,spaceGroup:Pcmb,id:mp-556894} |
| RD_593105564068_000 | computation | Reference Data From Materials Project: {formula:La2Au5F21,spaceGroup:P4_12_12,id:mp-3817} |
| RD_594056241745_000 | computation | Reference Data From Materials Project: {formula:AcSnAu2,spaceGroup:Fm-3m,id:mp-865957} |
| RD_594078301699_000 | computation | Reference Data From Materials Project: {formula:Rb3Sn4Au,spaceGroup:Pmmn,id:mp-756732} |
| RD_595505387672_000 | computation | Reference Data From Materials Project: {formula:Nb3Au,spaceGroup:Pm-3n,id:mp-2752} |
| RD_595621203312_000 | computation | Reference Data From Materials Project: {formula:Ce(SiAu2)2,spaceGroup:Cmmm,id:mp-569496} |
| RD_596001483533_000 | computation | Reference Data From Materials Project: {formula:LaInAu2,spaceGroup:Fm-3m,id:mp-868003} |
| RD_596355003047_000 | computation | Reference Data From Materials Project: {formula:RbNa2AuO2,spaceGroup:Pmnn,id:mp-555018} |
| RD_598385628533_000 | computation | Reference Data From Materials Project: {formula:SmZnAu2,spaceGroup:Fm-3m,id:mp-867860} |
| RD_598947938796_000 | computation | Reference Data From Materials Project: {formula:PaHgAu2,spaceGroup:Fm-3m,id:mp-862817} |
| RD_600148919797_000 | computation | Reference Data From Materials Project: {formula:LaSb2Au,spaceGroup:P4/nmm,id:mp-644143} |
| RD_600311328311_000 | computation | Reference Data From Materials Project: {formula:Ca2BiAu,spaceGroup:Fm-3m,id:mp-867799} |
| RD_600395601850_000 | computation | Reference Data From Materials Project: {formula:Cs3Ge4Au,spaceGroup:Pnmm,id:mp-510341} |
| RD_601379130724_000 | computation | Reference Data From Materials Project: {formula:PrCdAu2,spaceGroup:Fm-3m,id:mp-867176} |
| RD_601747339600_000 | computation | Reference Data From Materials Project: {formula:NdAu,spaceGroup:Pm-3m,id:mp-11254} |
| RD_602534747301_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_605336811228_000 | computation | Reference Data From Materials Project: {formula:AuC5(SCl)4,spaceGroup:C2/m,id:mp-652180} |
| RD_606635307163_000 | computation | Reference Data From Materials Project: {formula:Sr7Au3,spaceGroup:P6_3mc,id:mp-30422} |
| RD_606835235965_000 | computation | Reference Data From Materials Project: {formula:NaAu(SO4)2,spaceGroup:P2_1/c,id:mp-561190} |
| RD_607205374171_000 | computation | Reference Data From Materials Project: {formula:In3Au7,spaceGroup:P-3,id:mp-567550} |
| RD_608466917712_000 | computation | Reference Data From Materials Project: {formula:USb2Au,spaceGroup:P4/nmm,id:mp-510574} |
| RD_609329137823_000 | computation | Reference Data From Materials Project: {formula:Yb5Au3,spaceGroup:I4/mcm,id:mp-568944} |
| RD_609922242059_000 | computation | Reference Data From Materials Project: {formula:SmSnAu,spaceGroup:P6_3mc,id:mp-4304} |
| RD_610553522196_000 | computation | Reference Data From Materials Project: {formula:TbPbAu,spaceGroup:F-43m,id:mp-30413} |
| RD_611126556558_000 | computation | Reference Data From Materials Project: {formula:CaAu2,spaceGroup:Imcm,id:mp-443} |
| RD_611229943772_000 | computation | Reference Data From Materials Project: {formula:TmSnAu,spaceGroup:F-43m,id:mp-3462} |
| RD_611891253967_000 | computation | Reference Data From Materials Project: {formula:HoAu2,spaceGroup:I4/mmm,id:mp-990} |
| RD_613866551847_000 | computation | Reference Data From Materials Project: {formula:ErAu,spaceGroup:Pm-3m,id:mp-2442} |
| RD_614073982911_000 | computation | Reference Data From Materials Project: {formula:CsCdAuS2,spaceGroup:Cmme,id:mp-560558} |
| RD_614934368588_000 | computation | Reference Data From Materials Project: {formula:TbInAu,spaceGroup:P-62m,id:mp-22718} |
| RD_615852101590_000 | computation | Reference Data From Materials Project: {formula:K3Sn4Au,spaceGroup:Pnmm,id:mp-18500} |
| RD_618336836229_000 | computation | Reference Data From Materials Project: {formula:CaGaAu,spaceGroup:Pmnb,id:mp-11811} |
| RD_619082813337_000 | computation | Reference Data From Materials Project: {formula:Sr5(AuO4)2,spaceGroup:I4/mmm,id:mp-28796} |
| RD_619296389524_000 | computation | Reference Data From Materials Project: {formula:PbAu2,spaceGroup:Fd-3m,id:mp-19871} |
| RD_620604453701_000 | computation | Reference Data From Materials Project: {formula:PmAu3,spaceGroup:P6_3/mmc,id:mp-862985} |
| RD_620638342329_000 | computation | Reference Data From Materials Project: {formula:Rb5Au3O2,spaceGroup:Pmcb,id:mp-29920} |
| RD_620917034629_000 | computation | Reference Data From Materials Project: {formula:Er(SiAu)2,spaceGroup:I4/mmm,id:mp-3147} |
| RD_621819843498_000 | computation | Reference Data From Materials Project: {formula:EuInAu2,spaceGroup:Fm-3m,id:mp-866021} |
| RD_621878935640_000 | computation | Reference Data From Materials Project: {formula:YAu,spaceGroup:Pm-3m,id:mp-11261} |
| RD_622031355317_000 | computation | Reference Data From Materials Project: {formula:LaHgAu2,spaceGroup:Fm-3m,id:mp-861617} |
| RD_622160579509_000 | computation | Reference Data From Materials Project: {formula:Tl2PAuS4,spaceGroup:P2_1/m,id:mp-9510} |
| RD_622345523534_000 | computation | Reference Data From Materials Project: {formula:CdSbAu,spaceGroup:F-43m,id:mp-16246} |
| RD_622678575530_000 | computation | Reference Data From Materials Project: {formula:Rb(In3Au2)2,spaceGroup:P-6m2,id:mp-568168} |
| RD_623281041306_000 | computation | Reference Data From Materials Project: {formula:YSnAu,spaceGroup:P6_3mc,id:mp-567197} |
| RD_623716600845_000 | computation | Unstable stacking energy (gamma_us) fcc Au at zero temperature computed using density functional theory (DFT) by Kibey et al. (2007). |
| RD_623725639211_000 | computation | Reference Data From Materials Project: {formula:MgAu3,spaceGroup:Ccmm,id:mp-30408} |
| RD_623867008793_000 | computation | Reference Data From Materials Project: {formula:PmSbAu2,spaceGroup:Fm-3m,id:mp-862953} |
| RD_624327453118_000 | computation | Reference Data From Materials Project: {formula:Ti3Au,spaceGroup:Pm-3n,id:mp-1786} |
| RD_624388762703_000 | computation | Reference Data From Materials Project: {formula:Hf2Au,spaceGroup:I4/mmm,id:mp-30383} |
| RD_624925852473_000 | computation | Reference Data From Materials Project: {formula:Ag3Te2Au,spaceGroup:I4_132,id:mp-5710} |
| RD_626883811601_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_627672183967_000 | computation | Reference Data From Materials Project: {formula:PAuCl8,spaceGroup:Imma,id:mp-28387} |
| RD_628375617708_000 | computation | Reference Data From Materials Project: {formula:La(AuF4)3,spaceGroup:R-3c,id:mp-28993} |
| RD_628890648592_000 | computation | Reference Data From Materials Project: {formula:Na2Sn3Au,spaceGroup:P6_3/mmc,id:mp-570351} |
| RD_630076817433_000 | computation | Reference Data From Materials Project: {formula:USnAu2,spaceGroup:Fm-3m,id:mp-30419} |
| RD_631468417420_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_632428851237_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_632504044308_000 | computation | Reference Data From Materials Project: {formula:Ac2SiAu,spaceGroup:Fm-3m,id:mp-862698} |
| RD_632573121296_000 | computation | Reference Data From Materials Project: {formula:TmMgAu2,spaceGroup:Fm-3m,id:mp-865225} |
| RD_632809571772_000 | computation | Reference Data From Materials Project: {formula:MgAu3,spaceGroup:P6_3/mmc,id:mp-864935} |
| RD_633722040831_000 | computation | Reference Data From Materials Project: {formula:Cs3AuO,spaceGroup:P6_3/mmc,id:mp-505212} |
| RD_634373181956_000 | computation | Reference Data From Materials Project: {formula:RbCdAuS2,spaceGroup:Pbcb,id:mp-558536} |
| RD_636018345896_000 | computation | Reference Data From Materials Project: {formula:Li15Au4,spaceGroup:I-43d,id:mp-567395} |
| RD_636018752824_000 | computation | Reference Data From Materials Project: {formula:PrSnAu2,spaceGroup:Fm-3m,id:mp-862805} |
| RD_636064986499_000 | computation | Reference Data From Materials Project: {formula:Lu2ZnAu,spaceGroup:Fm-3m,id:mp-865406} |
| RD_636745327761_000 | computation | Reference Data From Materials Project: {formula:PmMgAu2,spaceGroup:Fm-3m,id:mp-862933} |
| RD_637722427557_000 | computation | Reference Data From Materials Project: {formula:HfAlAu2,spaceGroup:Fm-3m,id:mp-10872} |
| RD_638652264204_000 | computation | Reference Data From Materials Project: {formula:TiAu,spaceGroup:Pm-3m,id:mp-11259} |
| RD_640243050380_000 | computation | Reference Data From Materials Project: {formula:CaAlAu,spaceGroup:Pmnb,id:mp-568424} |
| RD_640343003373_000 | computation | Reference Data From Materials Project: {formula:Pm2RuAu,spaceGroup:Fm-3m,id:mp-863733} |
| RD_641160699488_000 | computation | Reference Data From Materials Project: {formula:NpAu3,spaceGroup:Fm-3m,id:mp-864613} |
| RD_641241526613_000 | computation | Reference Data From Materials Project: {formula:ZnCuAu2,spaceGroup:Fm-3m,id:mp-864623} |
| RD_642228063339_000 | computation | Reference Data From Materials Project: {formula:LaHgAu2,spaceGroup:Fm-3m,id:mp-861617} |
| RD_644646175449_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:Pm-3m,id:mp-1264} |
| RD_644743989105_000 | computation | Reference Data From Materials Project: {formula:CaPAu,spaceGroup:P6_3/mmc,id:mp-10677} |
| RD_645134132766_000 | computation | Reference Data From Materials Project: {formula:Sr(InAu)2,spaceGroup:Pmnb,id:mp-570556} |
| RD_645953114753_000 | computation | Reference Data From Materials Project: {formula:NdPbAu2,spaceGroup:Fm-3m,id:mp-865597} |
| RD_646794239413_000 | computation | Reference Data From Materials Project: {formula:TmAl7Au3,spaceGroup:R-3c,id:mp-16627} |
| RD_647270864132_000 | computation | Reference Data From Materials Project: {formula:Te2Au,spaceGroup:Pc,id:mp-571547} |
| RD_647617184950_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_648932561143_000 | computation | Reference Data From Materials Project: {formula:LuSnAu,spaceGroup:P6_3mc,id:mp-13302} |
| RD_649649164302_000 | computation | Reference Data From Materials Project: {formula:Yb2AsAu,spaceGroup:Fm-3m,id:mp-865799} |
| RD_650767365799_000 | computation | Reference Data From Materials Project: {formula:LiSn4Au3,spaceGroup:P6_3mc,id:mp-31301} |
| RD_650791605175_000 | computation | Reference Data From Materials Project: {formula:AuSeBr,spaceGroup:Pnam,id:mp-27199} |
| RD_651181257158_000 | computation | Reference Data From Materials Project: {formula:Eu4Au2O9,spaceGroup:Pbna,id:mp-21787} |
| RD_652101146163_000 | computation | Reference Data From Materials Project: {formula:Nb3Au,spaceGroup:Pm-3n,id:mp-2752} |
| RD_652299658674_000 | computation | Reference Data From Materials Project: {formula:PrInAu2,spaceGroup:Fm-3m,id:mp-570611} |
| RD_652443973261_000 | computation | Reference Data From Materials Project: {formula:K2Cd(AuS)4,spaceGroup:Icma,id:mp-557832} |
| RD_652953806015_000 | computation | Reference Data From Materials Project: {formula:LiZrAu2,spaceGroup:Fm-3m,id:mp-865924} |
| RD_653380825755_000 | computation | Reference Data From Materials Project: {formula:ThSiAu,spaceGroup:P-6m2,id:mp-9164} |
| RD_654013438779_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_654631532831_000 | computation | Reference Data From Materials Project: {formula:Na2TiAu,spaceGroup:Fm-3m,id:mp-631554} |
| RD_655684994238_000 | computation | Reference Data From Materials Project: {formula:AcTlAu2,spaceGroup:Fm-3m,id:mp-865952} |
| RD_656099692520_000 | computation | Reference Data From Materials Project: {formula:LiHoAu2,spaceGroup:Fm-3m,id:mp-862722} |
| RD_657571938211_000 | computation | Reference Data From Materials Project: {formula:Ca7Au3,spaceGroup:Pcab,id:mp-30369} |
| RD_658424171655_000 | computation | Reference Data From Materials Project: {formula:TmSnAu,spaceGroup:P6_3mc,id:mp-16741} |
| RD_658861154236_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:Pm-3m,id:mp-1264} |
| RD_659224083362_000 | computation | Reference Data From Materials Project: {formula:La(In2Au)2,spaceGroup:Pmcn,id:mp-21523} |
| RD_659951843565_000 | computation | Reference Data From Materials Project: {formula:ZnAu2(CN)4,spaceGroup:P6_222,id:mp-647252} |
| RD_660064078615_000 | computation | Reference Data From Materials Project: {formula:NaAuSe2,spaceGroup:P2_1/c,id:mp-29139} |
| RD_661312333112_000 | computation | Reference Data From Materials Project: {formula:GaAu,spaceGroup:Pmnb,id:mp-30379} |
| RD_662167261446_000 | computation | Reference Data From Materials Project: {formula:K5P2Au,spaceGroup:P6_3/mmc,id:mp-14624} |
| RD_662691687430_000 | computation | Reference Data From Materials Project: {formula:ScGeAu,spaceGroup:P6_3mc,id:mp-9350} |
| RD_663380298725_000 | computation | Reference Data From Materials Project: {formula:Sr4In13Au9,spaceGroup:P-6m2,id:mp-570807} |
| RD_664147019502_000 | computation | Reference Data From Materials Project: {formula:AuF3,spaceGroup:P6_122,id:mp-942} |
| RD_665052603369_000 | computation | Reference Data From Materials Project: {formula:CuAu3,spaceGroup:Pm-3m,id:mp-2103} |
| RD_666234661632_000 | computation | Reference Data From Materials Project: {formula:AcSnAu2,spaceGroup:Fm-3m,id:mp-865957} |
| RD_666721109025_000 | computation | Reference Data From Materials Project: {formula:Li2CdAu,spaceGroup:Fm-3m,id:mp-865577} |
| RD_666863738585_000 | computation | Reference Data From Materials Project: {formula:LaAgAu2,spaceGroup:Fm-3m,id:mp-867910} |
| RD_666960250641_000 | computation | Reference Data From Materials Project: {formula:K4Au6S5,spaceGroup:P-62c,id:mp-29341} |
| RD_667107077438_000 | computation | Reference Data From Materials Project: {formula:PmCdAu2,spaceGroup:Fm-3m,id:mp-862891} |
| RD_667919791444_000 | computation | Reference Data From Materials Project: {formula:Pr2P3Au,spaceGroup:Pmnb,id:mp-579779} |
| RD_670510918580_000 | computation | Reference Data From Materials Project: {formula:LiPdAu2,spaceGroup:Fm-3m,id:mp-861930} |
| RD_671756798767_000 | computation | Reference Data From Materials Project: {formula:Zr2Au,spaceGroup:I4/mmm,id:mp-2348} |
| RD_672572900247_000 | computation | Reference Data From Materials Project: {formula:Li2InAu,spaceGroup:F-43m,id:mp-30392} |
| RD_673093446779_000 | computation | Reference Data From Materials Project: {formula:ScGeAu,spaceGroup:F-43m,id:mp-961697} |
| RD_673123233744_000 | computation | Reference Data From Materials Project: {formula:YSiAu,spaceGroup:P6_3mc,id:mp-9025} |
| RD_673944889181_000 | computation | Reference Data From Materials Project: {formula:Rb2TlAu3,spaceGroup:Pmma,id:mp-867851} |
| RD_674254208860_000 | computation | Reference Data From Materials Project: {formula:NaCeAu2,spaceGroup:Fm-3m,id:mp-865080} |
| RD_676097278519_000 | computation | Reference Data From Materials Project: {formula:Gd3AuO6,spaceGroup:P-1,id:mp-10559} |
| RD_677095288265_000 | computation | Reference Data From Materials Project: {formula:MgZrAu2,spaceGroup:Fm-3m,id:mp-864920} |
| RD_677414556912_000 | computation | Reference Data From Materials Project: {formula:YbInAu2,spaceGroup:Fm-3m,id:mp-568537} |
| RD_677810370662_000 | computation | Reference Data From Materials Project: {formula:EuIn2Au,spaceGroup:Cmcm,id:mp-639496} |
| RD_677822029275_000 | computation | Reference Data From Materials Project: {formula:LiAu3,spaceGroup:Pm-3m,id:mp-11248} |
| RD_678103007405_000 | computation | Reference Data From Materials Project: {formula:VAuS2,spaceGroup:P6_3/mmc,id:mp-11193} |
| RD_679589569874_000 | computation | Reference Data From Materials Project: {formula:PuSnAu2,spaceGroup:Fm-3m,id:mp-861599} |
| RD_680932545215_000 | computation | Reference Data From Materials Project: {formula:CeInAu,spaceGroup:P-62m,id:mp-19718} |
| RD_681394070520_000 | computation | Reference Data From Materials Project: {formula:PrBiAu2,spaceGroup:Fm-3m,id:mp-862761} |
| RD_681637226298_000 | computation | Reference Data From Materials Project: {formula:LaAu3,spaceGroup:P6_3/mmc,id:mp-864901} |
| RD_682147954066_000 | computation | Reference Data From Materials Project: {formula:CsAuCl3,spaceGroup:I4/mmm,id:mp-23484} |
| RD_683418841299_000 | computation | Reference Data From Materials Project: {formula:PmCaAu2,spaceGroup:Fm-3m,id:mp-862882} |
| RD_683588823261_000 | computation | Reference Data From Materials Project: {formula:LaPbAu2,spaceGroup:Fm-3m,id:mp-862663} |
| RD_683659761677_000 | computation | Reference Data From Materials Project: {formula:ErSnAu,spaceGroup:P6_3mc,id:mp-13303} |
| RD_683962346100_000 | computation | Reference Data From Materials Project: {formula:Te2Au,spaceGroup:P-3m1,id:mp-1662} |
| RD_685427819290_000 | computation | Reference Data From Materials Project: {formula:ScSnAu,spaceGroup:F-43m,id:mp-2894} |
| RD_685449796129_000 | computation | Reference Data From Materials Project: {formula:KAu5,spaceGroup:P6/mmm,id:mp-1298} |
| RD_685623233360_000 | computation | Reference Data From Materials Project: {formula:YCdAu2,spaceGroup:Fm-3m,id:mp-865522} |
| RD_685665486708_000 | computation | Reference Data From Materials Project: {formula:H12AuC4N,spaceGroup:P4/nmm,id:mp-697715} |
| RD_686356233305_000 | computation | Reference Data From Materials Project: {formula:Li3AuS2,spaceGroup:Icma,id:mp-15999} |
| RD_687015891160_000 | computation | Reference Data From Materials Project: {formula:Rb4Au6S5,spaceGroup:P-62c,id:mp-29090} |
| RD_687309913914_000 | computation | Reference Data From Materials Project: {formula:Sr(GeAu)2,spaceGroup:I4/mmm,id:mp-13918} |
| RD_687953150495_000 | computation | Reference Data From Materials Project: {formula:Cd(AuF4)2,spaceGroup:P4/mcc,id:mp-29169} |
| RD_688380828242_000 | computation | Reference Data From Materials Project: {formula:CaAu,spaceGroup:Ccmm,id:mp-12723} |
| RD_688906730298_000 | computation | Reference Data From Materials Project: {formula:ThPbAu2,spaceGroup:Fm-3m,id:mp-867418} |
| RD_689192630183_000 | computation | Reference Data From Materials Project: {formula:KAuS,spaceGroup:Ccmm,id:mp-7077} |
| RD_689349169602_000 | computation | Reference Data From Materials Project: {formula:Nd(SiAu)2,spaceGroup:I4/mmm,id:mp-5057} |
| RD_689514498927_000 | computation | Reference Data From Materials Project: {formula:AuCN,spaceGroup:P6mm,id:mp-29196} |
| RD_691373208994_000 | computation | Reference Data From Materials Project: {formula:HfInAu2,spaceGroup:Fm-3m,id:mp-574025} |
| RD_696052496524_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_696157963665_000 | computation | Reference Data From Materials Project: {formula:BaBiAu,spaceGroup:P6_3/mmc,id:mp-31140} |
| RD_698110706586_000 | computation | Reference Data From Materials Project: {formula:LiZnAu2,spaceGroup:Fm-3m,id:mp-861932} |
| RD_699244218382_000 | computation | Reference Data From Materials Project: {formula:Rb8AlAu3O4,spaceGroup:P2_12_12_1,id:mp-559984} |
| RD_700329214201_000 | computation | Reference Data From Materials Project: {formula:Cd3Au,spaceGroup:P6_3cm,id:mp-30370} |
| RD_700761009161_000 | computation | Reference Data From Materials Project: {formula:PmBiAu2,spaceGroup:Fm-3m,id:mp-862879} |
| RD_701454688309_000 | computation | Reference Data From Materials Project: {formula:YMgAu2,spaceGroup:Fm-3m,id:mp-866171} |
| RD_702706839120_000 | computation | Reference Data From Materials Project: {formula:YbBiAu,spaceGroup:F-43m,id:mp-31142} |
| RD_702806330078_000 | computation | Reference Data From Materials Project: {formula:YbAu4,spaceGroup:I4/m,id:mp-11262} |
| RD_704182989166_000 | computation | Reference Data From Materials Project: {formula:LiErAu2,spaceGroup:Fm-3m,id:mp-862599} |
| RD_704844683828_000 | computation | Reference Data From Materials Project: {formula:V3AuN,spaceGroup:Pm-3m,id:mp-635460} |
| RD_705070834744_000 | computation | Reference Data From Materials Project: {formula:Cu2PdAu,spaceGroup:Fm-3m,id:mp-862256} |
| RD_706672447467_000 | computation | Reference Data From Materials Project: {formula:LiZrAu2,spaceGroup:Fm-3m,id:mp-865924} |
| RD_707010469359_000 | computation | Reference Data From Materials Project: {formula:PaAu3,spaceGroup:Fm-3m,id:mp-865858} |
| RD_707542029354_000 | computation | Reference Data From Materials Project: {formula:PaPbAu2,spaceGroup:Fm-3m,id:mp-862813} |
| RD_708502708783_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_709623491272_000 | computation | Reference Data From Materials Project: {formula:TmCdAu2,spaceGroup:Fm-3m,id:mp-865887} |
| RD_711019969756_000 | computation | Reference Data From Materials Project: {formula:YInAu,spaceGroup:P-62m,id:mp-621176} |
| RD_711272051559_000 | computation | Reference Data From Materials Project: {formula:CsAuN12,spaceGroup:C2/c,id:mp-568861} |
| RD_711913818104_000 | computation | Reference Data From Materials Project: {formula:PH9AuC3ClO3,spaceGroup:Pbca,id:mp-555921} |
| RD_712140315547_000 | computation | Reference Data From Materials Project: {formula:AgAuCl4,spaceGroup:C2/c,id:mp-570340} |
| RD_713246537781_000 | computation | Reference Data From Materials Project: {formula:Li2GeAu,spaceGroup:F-43m,id:mp-2935} |
| RD_713930242403_000 | computation | Reference Data From Materials Project: {formula:AlAuO2,spaceGroup:P6_3/mmc,id:mp-16613} |
| RD_714036720841_000 | computation | Reference Data From Materials Project: {formula:LiSbAu,spaceGroup:F-43m,id:mp-12564} |
| RD_714047297337_000 | computation | Reference Data From Materials Project: {formula:Bi2OsAu,spaceGroup:Fm-3m,id:mp-631571} |
| RD_714882524321_000 | computation | Reference Data From Materials Project: {formula:AuCl2,spaceGroup:P-1,id:mp-541656} |
| RD_715165945640_000 | computation | Reference Data From Materials Project: {formula:KAuF4,spaceGroup:I4/mcm,id:mp-5309} |
| RD_715544149014_000 | computation | Reference Data From Materials Project: {formula:Ag4AuS2,spaceGroup:P2/m,id:mp-675633} |
| RD_716554443295_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:P31m,id:mp-16886} |
| RD_716859457989_000 | computation | Reference Data From Materials Project: {formula:Na2Bi5AuO11,spaceGroup:P4/mbm,id:mp-557830} |
| RD_717084563112_000 | computation | Reference Data From Materials Project: {formula:Bi8AsAuCl9,spaceGroup:P2_1/c,id:mp-570053} |
| RD_717419432219_000 | computation | Reference Data From Materials Project: {formula:NdInAu,spaceGroup:P-62m,id:mp-621362} |
| RD_718036798915_000 | computation | Reference Data From Materials Project: {formula:Ba2SbAu,spaceGroup:Fm-3m,id:mp-862631} |
| RD_718053753785_000 | computation | Reference Data From Materials Project: {formula:PaSnAu2,spaceGroup:Fm-3m,id:mp-862821} |
| RD_719229271281_000 | computation | Reference Data From Materials Project: {formula:Sb3Au3F22,spaceGroup:Pc,id:mp-554764} |
| RD_719443765065_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_719916086164_000 | computation | Reference Data From Materials Project: {formula:LiSnAu,spaceGroup:P6_3/mmc,id:mp-11977} |
| RD_719925947285_000 | computation | Reference Data From Materials Project: {formula:KAuCl4,spaceGroup:P2_1/c,id:mp-568986} |
| RD_720302726856_000 | computation | Reference Data From Materials Project: {formula:Ba(AuF6)2,spaceGroup:Pm-3m,id:mp-558168} |
| RD_720560610535_000 | computation | AuCu in AFLOW crystal prototype AB_oI40_74_5e_5e. 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_720649967743_000 | computation | Reference Data From Materials Project: {formula:V3Au,spaceGroup:Pm-3n,id:mp-839} |
| RD_721585143286_000 | computation | Reference Data From Materials Project: {formula:Cs2AgAuCl6,spaceGroup:Fm-3m,id:mp-568448} |
| RD_721623264116_000 | computation | Reference Data From Materials Project: {formula:KAuC2,spaceGroup:P4/mmm,id:mp-10423} |
| RD_722702542695_000 | computation | Reference Data From Materials Project: {formula:GdAu,spaceGroup:Pm-3m,id:mp-635426} |
| RD_723402957251_000 | computation | Reference Data From Materials Project: {formula:EuAgAu2,spaceGroup:Fm-3m,id:mp-865013} |
| RD_723486465334_000 | computation | Reference Data From Materials Project: {formula:SmInAu2,spaceGroup:Fm-3m,id:mp-568596} |
| RD_723911695059_000 | computation | Reference Data From Materials Project: {formula:Mg2AgAu,spaceGroup:Fm-3m,id:mp-864978} |
| RD_724001788197_000 | computation | Reference Data From Materials Project: {formula:NdInAu,spaceGroup:P-62m,id:mp-621362} |
| RD_724712985475_000 | computation | Reference Data From Materials Project: {formula:PaAlAu2,spaceGroup:Fm-3m,id:mp-864780} |
| RD_725070510463_000 | computation | Reference Data From Materials Project: {formula:LaSnAu2,spaceGroup:Fm-3m,id:mp-867118} |
| RD_725986221602_000 | computation | Reference Data From Materials Project: {formula:CeGeAu,spaceGroup:F-43m,id:mp-20275} |
| RD_726090985957_000 | computation | Reference Data From Materials Project: {formula:CeInAu2,spaceGroup:Fm-3m,id:mp-636232} |
| RD_726177055545_000 | computation | Reference Data From Materials Project: {formula:Sr2BiAu,spaceGroup:Fm-3m,id:mp-867193} |
| RD_726899828277_000 | computation | Reference Data From Materials Project: {formula:SiBAu,spaceGroup:F-43m,id:mp-631562} |
| RD_728339616419_000 | computation | Reference Data From Materials Project: {formula:Au3F8,spaceGroup:P2_1/c,id:mp-17407} |
| RD_729410258861_000 | computation | Reference Data From Materials Project: {formula:AlAuO2,spaceGroup:P6_3/mmc,id:mp-16613} |
| RD_729911941714_000 | computation | Reference Data From Materials Project: {formula:HfZnAu2,spaceGroup:Fm-3m,id:mp-866117} |
| RD_732426496209_000 | computation | Reference Data From Materials Project: {formula:PmBiAu2,spaceGroup:Fm-3m,id:mp-862879} |
| RD_732815789404_000 | computation | Reference Data From Materials Project: {formula:GdSnAu,spaceGroup:P6_3mc,id:mp-20434} |
| RD_733362215464_000 | computation | Reference Data From Materials Project: {formula:ErSnAu,spaceGroup:F-43m,id:mp-5640} |
| RD_733508501436_000 | computation | Reference Data From Materials Project: {formula:YbAu,spaceGroup:Pm-3m,id:mp-2818} |
| RD_736555200913_000 | computation | Reference Data From Materials Project: {formula:GdCdAu2,spaceGroup:Fm-3m,id:mp-866167} |
| RD_737557496057_000 | computation | Reference Data From Materials Project: {formula:KCoAu3(CN)6,spaceGroup:P312,id:mp-568906} |
| RD_738212693945_000 | computation | Reference Data From Materials Project: {formula:TmInAu2,spaceGroup:Fm-3m,id:mp-568830} |
| RD_740574397547_000 | computation | Reference Data From Materials Project: {formula:P10Au7I,spaceGroup:P-62m,id:mp-27370} |
| RD_741209191017_000 | computation | Reference Data From Materials Project: {formula:Cs2NaAu3(CN)6,spaceGroup:P6_3/mmc,id:mp-571248} |
| RD_741725793923_000 | computation | Reference Data From Materials Project: {formula:Cs3Au2Br11,spaceGroup:P2_1/c,id:mp-569984} |
| RD_742231394714_000 | computation | Reference Data From Materials Project: {formula:ZnAu,spaceGroup:Pm-3m,id:mp-1684} |
| RD_743336945672_000 | computation | Reference Data From Materials Project: {formula:CsAu,spaceGroup:Pm-3m,id:mp-2667} |
| RD_743586017987_000 | computation | Reference Data From Materials Project: {formula:NaCaAu2,spaceGroup:Fm-3m,id:mp-865082} |
| RD_744506970118_000 | computation | Reference Data From Materials Project: {formula:Mg2PdAu,spaceGroup:Fm-3m,id:mp-864972} |
| RD_745446394916_000 | computation | Reference Data From Materials Project: {formula:Li2SbAu,spaceGroup:F-43m,id:mp-30404} |
| RD_745524409203_000 | computation | Reference Data From Materials Project: {formula:AuSCl7,spaceGroup:P2_1/c,id:mp-556587} |
| RD_745711092661_000 | computation | Reference Data From Materials Project: {formula:K2AsAuS4,spaceGroup:P2_1/m,id:mp-9511} |
| RD_746358485160_000 | computation | Reference Data From Materials Project: {formula:Pr3Sb4Au3,spaceGroup:I-43d,id:mp-861503} |
| RD_746572706625_000 | computation | Reference Data From Materials Project: {formula:BH11AuC4IN2,spaceGroup:P-1,id:mp-698289} |
| RD_746577737807_000 | computation | Reference Data From Materials Project: {formula:PmAlAu2,spaceGroup:Fm-3m,id:mp-862836} |
| RD_747407234884_000 | computation | Reference Data From Materials Project: {formula:ScGeAu,spaceGroup:F-43m,id:mp-961697} |
| RD_747475971343_000 | computation | Reference Data From Materials Project: {formula:NaGeAu3,spaceGroup:Pa3,id:mp-13674} |
| RD_747492647184_000 | computation | Reference Data From Materials Project: {formula:YbInAu2,spaceGroup:Fm-3m,id:mp-568537} |
| RD_748623420206_000 | computation | Reference Data From Materials Project: {formula:CeCdAu2,spaceGroup:Fm-3m,id:mp-866185} |
| RD_750131410661_000 | computation | Reference Data From Materials Project: {formula:TiAuCl,spaceGroup:F-43m,id:mp-962077} |
| RD_750239700319_000 | computation | Reference Data From Materials Project: {formula:YbZnAu,spaceGroup:Pmnb,id:mp-13027} |
| RD_750446150980_000 | computation | Reference Data From Materials Project: {formula:ScSnAu,spaceGroup:F-43m,id:mp-2894} |
| RD_750718060078_000 | computation | Reference Data From Materials Project: {formula:CuAuF5,spaceGroup:P-1,id:mp-28376} |
| RD_750890180423_000 | computation | Reference Data From Materials Project: {formula:TbPbAu,spaceGroup:F-43m,id:mp-30413} |
| RD_751160057005_000 | computation | Reference Data From Materials Project: {formula:YCdAu2,spaceGroup:Fm-3m,id:mp-865522} |
| RD_751290282743_000 | computation | Reference Data From Materials Project: {formula:K(In3Au2)2,spaceGroup:P-6m2,id:mp-567545} |
| RD_751376123786_000 | computation | Reference Data From Materials Project: {formula:K(InAu2)2,spaceGroup:I4/mcm,id:mp-21134} |
| RD_751580485366_000 | computation | Reference Data From Materials Project: {formula:KAu2,spaceGroup:P6_3/mmc,id:mp-30401} |
| RD_751633486199_000 | computation | Reference Data From Materials Project: {formula:BiAuCl6,spaceGroup:P-1,id:mp-567414} |
| RD_751745715893_000 | computation | Reference Data From Materials Project: {formula:Eu2Sn5Au2,spaceGroup:P2_1/m,id:mp-31293} |
| RD_751805784967_000 | computation | Reference Data From Materials Project: {formula:Hg5Au6,spaceGroup:P6_3/mcm,id:mp-1812} |
| RD_751993904551_000 | computation | Reference Data From Materials Project: {formula:CeInAu2,spaceGroup:Fm-3m,id:mp-636232} |
| RD_752531233273_000 | computation | Reference Data From Materials Project: {formula:Sm3AuO6,spaceGroup:P-1,id:mp-10560} |
| RD_752756411222_000 | computation | Reference Data From Materials Project: {formula:Mg2RhAu,spaceGroup:Fm-3m,id:mp-864965} |
| RD_753064385509_000 | computation | Reference Data From Materials Project: {formula:NdInAu2,spaceGroup:Fm-3m,id:mp-568139} |
| RD_753994652332_000 | computation | Reference Data From Materials Project: {formula:Li2GaAu,spaceGroup:F-43m,id:mp-30381} |
| RD_754429892044_000 | computation | Reference Data From Materials Project: {formula:BeAu,spaceGroup:P2_13,id:mp-30365} |
| RD_754979325828_000 | computation | Reference Data From Materials Project: {formula:AlAu,spaceGroup:P2_1/m,id:mp-1399} |
| RD_755005602710_000 | computation | Reference Data From Materials Project: {formula:K2PAu,spaceGroup:Cmcm,id:mp-9687} |
| RD_755274195705_000 | computation | Reference Data From Materials Project: {formula:MnSbAu,spaceGroup:F-43m,id:mp-5944} |
| RD_756194907885_000 | computation | Reference Data From Materials Project: {formula:Rb2AgAu3I8,spaceGroup:C2/c,id:mp-570536} |
| RD_756687473261_000 | computation | Reference Data From Materials Project: {formula:MgCdAu2,spaceGroup:Fm-3m,id:mp-865150} |
| RD_757072276964_000 | computation | Reference Data From Materials Project: {formula:NaAu2,spaceGroup:Fd-3m,id:mp-1052} |
| RD_757341306400_000 | computation | Reference Data From Materials Project: {formula:PaZnAu2,spaceGroup:Fm-3m,id:mp-862833} |
| RD_758440776218_000 | computation | Reference Data From Materials Project: {formula:ErAl4Ge2Au,spaceGroup:R-3m,id:mp-12020} |
| RD_759136046431_000 | computation | Reference Data From Materials Project: {formula:SrAu5,spaceGroup:P6/mmm,id:mp-1831} |
| RD_759373813946_000 | computation | AlAu in AFLOW crystal prototype AB2_tI6_139_a_e. 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_759616638827_000 | computation | Reference Data From Materials Project: {formula:YbPmAu2,spaceGroup:Fm-3m,id:mp-865894} |
| RD_759672778852_000 | computation | Reference Data From Materials Project: {formula:TiAu,spaceGroup:Pm-3m,id:mp-11259} |
| RD_760375147173_000 | computation | Reference Data From Materials Project: {formula:UGeAu,spaceGroup:P6_3/mmc,id:mp-7180} |
| RD_761023255787_000 | computation | Reference Data From Materials Project: {formula:TbMgAu2,spaceGroup:Fm-3m,id:mp-866068} |
| RD_761240346029_000 | computation | Reference Data From Materials Project: {formula:K2Au3,spaceGroup:Immm,id:mp-8700} |
| RD_761872344231_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_762643248477_000 | computation | Reference Data From Materials Project: {formula:Te2Au,spaceGroup:P-3m1,id:mp-1662} |
| RD_764536738951_000 | computation | Reference Data From Materials Project: {formula:Sr2AsAu,spaceGroup:Fm-3m,id:mp-867192} |
| RD_765689387219_000 | computation | Reference Data From Materials Project: {formula:Ba9(AuO6)2,spaceGroup:Pnam,id:mp-28788} |
| RD_765717320192_000 | computation | Reference Data From Materials Project: {formula:Pr2Au,spaceGroup:Pmnb,id:mp-2714} |
| RD_765838973457_000 | computation | Reference Data From Materials Project: {formula:Ag3AuS2,spaceGroup:P4_132,id:mp-27554} |
| RD_770011439970_000 | computation | Reference Data From Materials Project: {formula:ScAu,spaceGroup:Pm-3m,id:mp-11256} |
| RD_770087632332_000 | computation | Reference Data From Materials Project: {formula:ErAu2,spaceGroup:I4/mmm,id:mp-2466} |
| RD_770338820093_000 | computation | Reference Data From Materials Project: {formula:NaNdAu2,spaceGroup:Fm-3m,id:mp-865113} |
| RD_770774612509_000 | computation | Reference Data From Materials Project: {formula:MnSbAu,spaceGroup:F-43m,id:mp-5944} |
| RD_771339669381_000 | computation | Reference Data From Materials Project: {formula:HoGeAu,spaceGroup:F-43m,id:mp-13308} |
| RD_771468618149_000 | computation | Reference Data From Materials Project: {formula:CaAu5,spaceGroup:F-43m,id:mp-568920} |
| RD_772145775471_000 | computation | Reference Data From Materials Project: {formula:InAu3,spaceGroup:Pmnm,id:mp-569683} |
| RD_773716582023_000 | computation | Reference Data From Materials Project: {formula:NaAuF4,spaceGroup:I4/mcm,id:mp-7388} |
| RD_774405356349_000 | computation | Reference Data From Materials Project: {formula:Au2Se2O7,spaceGroup:P2cb,id:mp-28095} |
| RD_775087857298_000 | computation | Reference Data From Materials Project: {formula:ZnAu3,spaceGroup:I4_1/acd,id:mp-669566} |
| RD_775345824375_000 | computation | Reference Data From Materials Project: {formula:AuCl5O18,spaceGroup:C2/c,id:mp-630336} |
| RD_777289008538_000 | computation | Reference Data From Materials Project: {formula:SmAgAu2,spaceGroup:Fm-3m,id:mp-867254} |
| RD_777309994539_000 | computation | Reference Data From Materials Project: {formula:InPd2Au,spaceGroup:Fm-3m,id:mp-863724} |
| RD_777542476176_000 | computation | Reference Data From Materials Project: {formula:Tm2OsAu,spaceGroup:Fm-3m,id:mp-865369} |
| RD_779241649968_000 | computation | Reference Data From Materials Project: {formula:BaSbAu,spaceGroup:P6_3/mmc,id:mp-568895} |
| RD_780660061986_000 | computation | Reference Data From Materials Project: {formula:PrAu,spaceGroup:Pm-3m,id:mp-11255} |
| RD_780739038494_000 | computation | Reference Data From Materials Project: {formula:YbNaAu2,spaceGroup:Fm-3m,id:mp-865849} |
| RD_780820643377_000 | computation | Reference Data From Materials Project: {formula:K5As2Au,spaceGroup:P6_3/mmc,id:mp-8683} |
| RD_780943169721_000 | computation | Reference Data From Materials Project: {formula:EuAsAu,spaceGroup:P6_3/mmc,id:mp-19729} |
| RD_781108064295_000 | computation | Reference Data From Materials Project: {formula:YbAu3,spaceGroup:Pmnm,id:mp-568823} |
| RD_781423421163_000 | computation | Reference Data From Materials Project: {formula:LiZnAu2,spaceGroup:Fm-3m,id:mp-861932} |
| RD_783633437796_000 | computation | Reference Data From Materials Project: {formula:Ca(SiAu)2,spaceGroup:I4/mmm,id:mp-7364} |
| RD_783868902370_000 | computation | Reference Data From Materials Project: {formula:Rb(In3Au2)2,spaceGroup:P-6m2,id:mp-568168} |
| RD_784041804426_000 | computation | Reference Data From Materials Project: {formula:AuS3(O3F)3,spaceGroup:P2_1/c,id:mp-560021} |
| RD_785765892932_000 | computation | Reference Data From Materials Project: {formula:SmSnAu,spaceGroup:F-43m,id:mp-13305} |
| RD_786905040783_000 | experiment | Experimental data collected from reference material at the University of Minnesota. Original source needs to be checked to verify ensemble and error values. |
| RD_787242332288_000 | computation | Reference Data From Materials Project: {formula:RbAuO,spaceGroup:I4/mmm,id:mp-10547} |
| RD_788244584993_000 | computation | Reference Data From Materials Project: {formula:CoAu2(CN)4,spaceGroup:P6_422,id:mp-570037} |
| RD_789008077386_000 | computation | Reference Data From Materials Project: {formula:CsAu(SO4)2,spaceGroup:P2_1/c,id:mp-555376} |
| RD_789953905337_000 | computation | Reference Data From Materials Project: {formula:NdPbAu2,spaceGroup:Fm-3m,id:mp-865597} |
| RD_789993574006_000 | computation | Reference Data From Materials Project: {formula:Yb(SiAu)2,spaceGroup:I4/mmm,id:mp-16251} |
| RD_790017641086_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_790020646727_000 | computation | Reference Data From Materials Project: {formula:Rb3Pb4Au,spaceGroup:Pnmm,id:mp-608081} |
| RD_790180540662_000 | computation | Reference Data From Materials Project: {formula:AcZnAu2,spaceGroup:Fm-3m,id:mp-861734} |
| RD_790590471838_000 | computation | Reference Data From Materials Project: {formula:RbAuC2(SN)2,spaceGroup:C2/c,id:mp-641965} |
| RD_791211325503_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_791306184527_000 | computation | Reference Data From Materials Project: {formula:KAuSe,spaceGroup:Ccmm,id:mp-9881} |
| RD_792157888196_000 | computation | Reference Data From Materials Project: {formula:AcInAu2,spaceGroup:Fm-3m,id:mp-862860} |
| RD_792879197970_000 | computation | Reference Data From Materials Project: {formula:PaHgAu2,spaceGroup:Fm-3m,id:mp-862817} |
| RD_793830816985_000 | computation | Reference Data From Materials Project: {formula:SmSnAu,spaceGroup:P6_3mc,id:mp-4304} |
| RD_795535281988_000 | computation | Reference Data From Materials Project: {formula:CeBiAu2,spaceGroup:Fm-3m,id:mp-861888} |
| RD_795654127547_000 | computation | Reference Data From Materials Project: {formula:DyInAu2,spaceGroup:Fm-3m,id:mp-30374} |
| RD_796476815666_000 | computation | Reference Data From Materials Project: {formula:Ca5Au4,spaceGroup:P2_1/c,id:mp-571264} |
| RD_797569921583_000 | computation | Reference Data From Materials Project: {formula:Tb(SiAu)2,spaceGroup:I4/mmm,id:mp-569577} |
| RD_797762344210_000 | computation | AuCu in AFLOW crystal prototype AB_tP2_123_a_d. 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_798076719242_000 | computation | Reference Data From Materials Project: {formula:Li2TlAu,spaceGroup:Fm-3m,id:mp-865711} |
| RD_798407247884_000 | computation | Reference Data From Materials Project: {formula:CaAu5,spaceGroup:F-43m,id:mp-568920} |
| RD_798805700158_000 | computation | Reference Data From Materials Project: {formula:TaAuBr,spaceGroup:F-43m,id:mp-631566} |
| RD_799194532299_000 | computation | Reference Data From Materials Project: {formula:Na3AuS2,spaceGroup:R-3c,id:mp-15567} |
| RD_801328886477_000 | computation | Reference Data From Materials Project: {formula:SmSnAu,spaceGroup:F-43m,id:mp-13305} |
| RD_801522123919_000 | computation | Reference Data From Materials Project: {formula:KAuSe2,spaceGroup:P4/mbm,id:mp-29138} |
| RD_801983870496_000 | computation | Reference Data From Materials Project: {formula:TeH12AuC4S3N,spaceGroup:P2_1/c,id:mp-560718} |
| RD_804917770431_000 | computation | Reference Data From Materials Project: {formula:GdSnAu,spaceGroup:F-43m,id:mp-20514} |
| RD_806626520733_000 | computation | Reference Data From Materials Project: {formula:Pr(In2Au)2,spaceGroup:Pmcn,id:mp-607514} |
| RD_807677108710_000 | computation | Reference Data From Materials Project: {formula:Li2InAu,spaceGroup:F-43m,id:mp-30392} |
| RD_808065763727_000 | computation | Reference Data From Materials Project: {formula:PaZnAu2,spaceGroup:Fm-3m,id:mp-862833} |
| RD_808604347349_000 | computation | Reference Data From Materials Project: {formula:Be12Au,spaceGroup:I4/mmm,id:mp-12664} |
| RD_808656763621_000 | computation | Reference Data From Materials Project: {formula:Zr3Au,spaceGroup:Pm-3n,id:mp-11263} |
| RD_811052313946_000 | computation | Reference Data From Materials Project: {formula:P3Au2,spaceGroup:C2/m,id:mp-27258} |
| RD_811394988841_000 | computation | AlAu in AFLOW crystal prototype A3B8_hR44_167_bce_2c2f. 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_811610851977_000 | computation | Reference Data From Materials Project: {formula:Pb2Au,spaceGroup:I4/mcm,id:mp-22795} |
| RD_812267001353_000 | computation | Reference Data From Materials Project: {formula:TiAlAu,spaceGroup:P6_3/mmc,id:mp-16481} |
| RD_812635835381_000 | computation | Reference Data From Materials Project: {formula:ThInAu2,spaceGroup:Fm-3m,id:mp-622041} |
| RD_813012795646_000 | computation | Reference Data From Materials Project: {formula:Tb2Au5F21,spaceGroup:P-1,id:mp-541348} |
| RD_813661700113_000 | computation | Reference Data From Materials Project: {formula:Sc2ZnAu,spaceGroup:Fm-3m,id:mp-862257} |
| RD_813982234437_000 | computation | Reference Data From Materials Project: {formula:U(SiAu)2,spaceGroup:I4/mmm,id:mp-5510} |
| RD_814899103744_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_815101504198_000 | computation | Reference Data From Materials Project: {formula:V3Au,spaceGroup:Pm-3n,id:mp-839} |
| RD_815142160399_000 | computation | Reference Data From Materials Project: {formula:CaGaAu3,spaceGroup:Pa3,id:mp-567485} |
| RD_815456358132_000 | computation | Reference Data From Materials Project: {formula:Mg3Au,spaceGroup:P6_3/mmc,id:mp-11251} |
| RD_816387499122_000 | computation | Reference Data From Materials Project: {formula:CeGeAu,spaceGroup:Pmnb,id:mp-20562} |
| RD_816957299127_000 | computation | Reference Data From Materials Project: {formula:ScAu,spaceGroup:Pm-3m,id:mp-11256} |
| RD_817407351078_000 | computation | Reference Data From Materials Project: {formula:GdPbAu,spaceGroup:F-43m,id:mp-20415} |
| RD_817728950922_000 | computation | Reference Data From Materials Project: {formula:Hg(AuF4)2,spaceGroup:P4/mcc,id:mp-29170} |
| RD_818389861268_000 | computation | Reference Data From Materials Project: {formula:Ca(GeAu)2,spaceGroup:I4/mmm,id:mp-7883} |
| RD_818595769762_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_818629850547_000 | computation | Reference Data From Materials Project: {formula:TiInAu2,spaceGroup:Fm-3m,id:mp-621348} |
| RD_819578685363_000 | computation | Reference Data From Materials Project: {formula:LaCdAu2,spaceGroup:Fm-3m,id:mp-862743} |
| RD_820535298335_000 | computation | Reference Data From Materials Project: {formula:MgSnAu,spaceGroup:F-43m,id:mp-5549} |
| RD_820600176646_000 | computation | Reference Data From Materials Project: {formula:Ca2PdAu,spaceGroup:Fm-3m,id:mp-863744} |
| RD_820707317945_000 | computation | Reference Data From Materials Project: {formula:Sm4Au2O9,spaceGroup:Pbna,id:mp-16160} |
| RD_821420508047_000 | computation | Reference Data From Materials Project: {formula:LaAu3,spaceGroup:P6_3/mmc,id:mp-864901} |
| RD_821914694232_000 | computation | Reference Data From Materials Project: {formula:Cu3Au,spaceGroup:Pm-3m,id:mp-2258} |
| RD_822319496625_000 | computation | Reference Data From Materials Project: {formula:Zn2RhAu,spaceGroup:Fm-3m,id:mp-864844} |
| RD_822392617854_000 | computation | Reference Data From Materials Project: {formula:Cr3AuO8,spaceGroup:C2/m,id:mp-641367} |
| RD_822927680143_000 | computation | Reference Data From Materials Project: {formula:CuAuO2,spaceGroup:R-3m,id:mp-754126} |
| RD_822967260401_000 | computation | Reference Data From Materials Project: {formula:KCoAu3(CN)6,spaceGroup:P312,id:mp-568906} |
| RD_824287865909_000 | computation | Reference Data From Materials Project: {formula:Be5Au,spaceGroup:F-43m,id:mp-1220} |
| RD_824305973874_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_825722562816_000 | computation | Reference Data From Materials Project: {formula:HoInAu2,spaceGroup:Fm-3m,id:mp-30388} |
| RD_826195921628_000 | computation | Reference Data From Materials Project: {formula:Pr(SiAu)2,spaceGroup:I4/mmm,id:mp-31202} |
| RD_826244533971_000 | computation | Reference Data From Materials Project: {formula:PmZnAu2,spaceGroup:Fm-3m,id:mp-862974} |
| RD_828644531025_000 | computation | Reference Data From Materials Project: {formula:Na2SbAu,spaceGroup:Cmcm,id:mp-7774} |
| RD_829997840823_000 | computation | Reference Data From Materials Project: {formula:ScAu,spaceGroup:Pm-3m,id:mp-11256} |
| RD_831989505290_000 | computation | AuCu in AFLOW crystal prototype AB_tP2_123_a_d. 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_832111530108_000 | computation | Reference Data From Materials Project: {formula:Ba2Tl7Au,spaceGroup:Pmcn,id:mp-31071} |
| RD_833510193284_000 | computation | Reference Data From Materials Project: {formula:Na2AsAu,spaceGroup:Cmcm,id:mp-7773} |
| RD_833917454788_000 | computation | Reference Data From Materials Project: {formula:Au2Se4O11,spaceGroup:C2/c,id:mp-27441} |
| RD_834731535996_000 | computation | Reference Data From Materials Project: {formula:Ce(In2Au)2,spaceGroup:Pmcn,id:mp-21537} |
| RD_835212648968_000 | computation | Reference Data From Materials Project: {formula:Nd17Au36,spaceGroup:P4/nmm,id:mp-567586} |
| RD_837086309806_000 | computation | Reference Data From Materials Project: {formula:Ca3InAu3,spaceGroup:Pmcn,id:mp-606503} |
| RD_838008784160_000 | computation | Reference Data From Materials Project: {formula:K6NaAu2IO8,spaceGroup:P2/c,id:mp-555392} |
| RD_838286769456_000 | computation | Reference Data From Materials Project: {formula:NdTlAu2,spaceGroup:Fm-3m,id:mp-864667} |
| RD_838393485434_000 | computation | Reference Data From Materials Project: {formula:NaCaAu2,spaceGroup:Fm-3m,id:mp-865082} |
| RD_838868726976_000 | computation | Reference Data From Materials Project: {formula:NaAuO2,spaceGroup:Ccmm,id:mp-20343} |
| RD_838961942622_000 | computation | Reference Data From Materials Project: {formula:CaSbAu,spaceGroup:P6_3/mmc,id:mp-16245} |
| RD_839127573318_000 | computation | Reference Data From Materials Project: {formula:H8AuC2S2BrN4,spaceGroup:C2/c,id:mp-740707} |
| RD_839226194447_000 | computation | Reference Data From Materials Project: {formula:Te2AuI,spaceGroup:Pmcm,id:mp-27527} |
| RD_841385187461_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:P31m,id:mp-16886} |
| RD_841940341741_000 | computation | Reference Data From Materials Project: {formula:NaLaAu2,spaceGroup:Fm-3m,id:mp-865098} |
| RD_842295626958_000 | computation | Reference Data From Materials Project: {formula:Mg3Au,spaceGroup:P6_3cm,id:mp-17783} |
| RD_842523938334_000 | computation | Reference Data From Materials Project: {formula:K2Sn(AuS2)2,spaceGroup:P-1,id:mp-557121} |
| RD_843045415681_000 | computation | Reference Data From Materials Project: {formula:Ca2AuN,spaceGroup:Ccmm,id:mp-29175} |
| RD_843086898905_000 | computation | Reference Data From Materials Project: {formula:Al2Au,spaceGroup:Fm-3m,id:mp-2647} |
| RD_843479862081_000 | computation | Reference Data From Materials Project: {formula:DyInAu2,spaceGroup:Fm-3m,id:mp-30374} |
| RD_844740685268_000 | computation | Reference Data From Materials Project: {formula:CdSbAu,spaceGroup:F-43m,id:mp-16246} |
| RD_845313786311_000 | computation | Reference Data From Materials Project: {formula:KAu2,spaceGroup:P6_3/mmc,id:mp-30401} |
| RD_845383670523_000 | computation | Reference Data From Materials Project: {formula:CeAgAu2,spaceGroup:Fm-3m,id:mp-865862} |
| RD_846487045350_000 | computation | Reference Data From Materials Project: {formula:RbTeAu,spaceGroup:Pmmb,id:mp-9008} |
| RD_846573066801_000 | computation | Reference Data From Materials Project: {formula:DyAl7Au3,spaceGroup:R-3c,id:mp-16623} |
| RD_846913267051_000 | computation | AuCu in AFLOW crystal prototype AB_tP2_123_a_d. 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_846946782824_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_847052761991_000 | computation | Reference Data From Materials Project: {formula:YAu,spaceGroup:Pm-3m,id:mp-11261} |
| RD_847057510553_000 | computation | Reference Data From Materials Project: {formula:Li2PbAu,spaceGroup:F-43m,id:mp-30403} |
| RD_847869471252_000 | computation | Reference Data From Materials Project: {formula:TbLiAu2,spaceGroup:Fm-3m,id:mp-864824} |
| RD_848186571281_000 | computation | Reference Data From Materials Project: {formula:KAuCl4,spaceGroup:Pc,id:mp-27181} |
| RD_848268925992_000 | computation | Reference Data From Materials Project: {formula:CeAu3,spaceGroup:P6_3/mmc,id:mp-865572} |
| RD_849396082448_000 | computation | Reference Data From Materials Project: {formula:Mn2Au5,spaceGroup:C2/m,id:mp-30410} |
| RD_849463197633_000 | computation | Reference Data From Materials Project: {formula:NdMgAu2,spaceGroup:Fm-3m,id:mp-866064} |
| RD_851434771708_000 | computation | Reference Data From Materials Project: {formula:Tl2Au,spaceGroup:I4/mcm,id:mp-755435} |
| RD_851499807367_000 | computation | Reference Data From Materials Project: {formula:YbInAu,spaceGroup:P-62m,id:mp-570912} |
| RD_851670164968_000 | computation | Reference Data From Materials Project: {formula:ScAu,spaceGroup:Pm-3m,id:mp-11256} |
| RD_852781689682_000 | computation | Reference Data From Materials Project: {formula:YbZnAu2,spaceGroup:Fm-3m,id:mp-865431} |
| RD_853265268730_000 | computation | Reference Data From Materials Project: {formula:Ag3AuS2,spaceGroup:P4_132,id:mp-27554} |
| RD_854238582593_000 | computation | Reference Data From Materials Project: {formula:Sr3Au2,spaceGroup:R-3,id:mp-30421} |
| RD_854638987585_000 | computation | Reference Data From Materials Project: {formula:CaCdAu2,spaceGroup:Fm-3m,id:mp-866010} |
| RD_854749784041_000 | computation | Reference Data From Materials Project: {formula:CaPAu,spaceGroup:P6_3/mmc,id:mp-10677} |
| RD_855102510247_000 | computation | Reference Data From Materials Project: {formula:PaCdAu2,spaceGroup:Fm-3m,id:mp-861973} |
| RD_856937353375_000 | computation | Reference Data From Materials Project: {formula:LiZn2Au,spaceGroup:Fm-3m,id:mp-867255} |
| RD_857677914626_000 | computation | Reference Data From Materials Project: {formula:CuAu,spaceGroup:Imma,id:mp-582681} |
| RD_857708051411_000 | computation | Reference Data From Materials Project: {formula:Li2PdAu,spaceGroup:Fm-3m,id:mp-866176} |
| RD_858923414057_000 | computation | Reference Data From Materials Project: {formula:PuCdAu2,spaceGroup:Fm-3m,id:mp-862859} |
| RD_859113285215_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_859694711309_000 | computation | Reference Data From Materials Project: {formula:Zn2CuAu,spaceGroup:Pmnm,id:mp-12759} |
| RD_859995512551_000 | computation | Reference Data From Materials Project: {formula:NdTlAu2,spaceGroup:Fm-3m,id:mp-864667} |
| RD_860466074460_000 | computation | Reference Data From Materials Project: {formula:TbSnAu,spaceGroup:P6_3mc,id:mp-31413} |
| RD_860829518123_000 | computation | Reference Data From Materials Project: {formula:TmAu2F9,spaceGroup:Pcan,id:mp-14761} |
| RD_861005141754_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_861662250854_000 | computation | Reference Data From Materials Project: {formula:LiGeAu2,spaceGroup:Fm-3m,id:mp-861881} |
| RD_861931592766_000 | computation | Reference Data From Materials Project: {formula:Zr3Au,spaceGroup:Pm-3n,id:mp-11263} |
| RD_862740475603_000 | computation | Reference Data From Materials Project: {formula:SrAu5,spaceGroup:P6/mmm,id:mp-1831} |
| RD_863266462076_000 | computation | Reference Data From Materials Project: {formula:ScSnAu,spaceGroup:F-43m,id:mp-2894} |
| RD_863939501884_000 | computation | AuCu in AFLOW crystal prototype AB_tP2_123_a_d. 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_864158677551_000 | computation | Reference Data From Materials Project: {formula:NdAgAu2,spaceGroup:Fm-3m,id:mp-864892} |
| RD_865002381119_000 | computation | Reference Data From Materials Project: {formula:GdSnAu,spaceGroup:P6_3mc,id:mp-20434} |
| RD_865606935846_000 | computation | Reference Data From Materials Project: {formula:MgZnAu2,spaceGroup:Fm-3m,id:mp-864922} |
| RD_866239205739_000 | computation | Reference Data From Materials Project: {formula:Yb2PbAu2,spaceGroup:P4_2/mnm,id:mp-542245} |
| RD_866404524996_000 | computation | Reference Data From Materials Project: {formula:K3InAu5,spaceGroup:Imcm,id:mp-867331} |
| RD_867118104523_000 | computation | Reference Data From Materials Project: {formula:ScAlAu2,spaceGroup:Fm-3m,id:mp-10873} |
| RD_867163092140_000 | computation | Reference Data From Materials Project: {formula:TiAu,spaceGroup:Pm-3m,id:mp-11259} |
| RD_868884189951_000 | computation | Reference Data From Materials Project: {formula:BaAu5,spaceGroup:P6/mmm,id:mp-30364} |
| RD_869049429074_000 | computation | Reference Data From Materials Project: {formula:LaInAu2,spaceGroup:Fm-3m,id:mp-868003} |
| RD_869995203428_000 | computation | Reference Data From Materials Project: {formula:CuAu,spaceGroup:P4/mmm,id:mp-522} |
| RD_870229322469_000 | computation | Reference Data From Materials Project: {formula:Na4TlAu,spaceGroup:Fmmm,id:mp-31470} |
| RD_871477695178_000 | computation | Reference Data From Materials Project: {formula:YbPmAu2,spaceGroup:Fm-3m,id:mp-865894} |
| RD_871991640853_000 | computation | Reference Data From Materials Project: {formula:TiAlAu,spaceGroup:P6_3/mmc,id:mp-16481} |
| RD_872280298612_000 | computation | Reference Data From Materials Project: {formula:Rb4Sn2Au7,spaceGroup:R-3m,id:mp-30416} |
| RD_872662153897_000 | computation | Reference Data From Materials Project: {formula:Li15Au4,spaceGroup:I-43d,id:mp-567395} |
| RD_873448213953_000 | computation | Reference Data From Materials Project: {formula:Mg2AgAu,spaceGroup:Fm-3m,id:mp-864978} |
| RD_875495759647_000 | computation | Reference Data From Materials Project: {formula:CuAu3,spaceGroup:Pm-3m,id:mp-2103} |
| RD_875547407738_000 | computation | Reference Data From Materials Project: {formula:Pm2SnAu,spaceGroup:Fm-3m,id:mp-865467} |
| RD_876266990345_000 | computation | Reference Data From Materials Project: {formula:SmMgAu2,spaceGroup:Fm-3m,id:mp-867867} |
| RD_877484127333_000 | computation | Reference Data From Materials Project: {formula:BaSbAu,spaceGroup:P6_3/mmc,id:mp-10769} |
| RD_878951116467_000 | computation | Reference Data From Materials Project: {formula:DyAu,spaceGroup:Pm-3m,id:mp-11240} |
| RD_878979442614_000 | computation | Reference Data From Materials Project: {formula:AcBiAu2,spaceGroup:Fm-3m,id:mp-866016} |
| RD_879068382626_000 | computation | Reference Data From Materials Project: {formula:Sc2CuAu,spaceGroup:Fm-3m,id:mp-867756} |
| RD_880155174290_000 | computation | Reference Data From Materials Project: {formula:LiCd2Au,spaceGroup:Fm-3m,id:mp-867160} |
| RD_880494522672_000 | computation | Reference Data From Materials Project: {formula:SmCdAu2,spaceGroup:Fm-3m,id:mp-867882} |
| RD_880897424056_000 | computation | Reference Data From Materials Project: {formula:CsAuI3,spaceGroup:I4/mmm,id:mp-28453} |
| RD_881438241032_000 | computation | Reference Data From Materials Project: {formula:Eu(InAu)3,spaceGroup:Pmmn,id:mp-606777} |
| RD_882328611901_000 | computation | Reference Data From Materials Project: {formula:NdAu3,spaceGroup:P6_3/mmc,id:mp-866076} |
| RD_882703013998_000 | computation | Reference Data From Materials Project: {formula:TlSbAu,spaceGroup:P2_1nb,id:mp-542839} |
| RD_884418638065_000 | computation | Reference Data From Materials Project: {formula:Y2Au5F21,spaceGroup:P2/c,id:mp-30309} |
| RD_884776603929_000 | computation | Reference Data From Materials Project: {formula:RbAuI3,spaceGroup:C2/m,id:mp-568666} |
| RD_884912815024_000 | computation | Reference Data From Materials Project: {formula:ZnCuAu2,spaceGroup:Fm-3m,id:mp-864623} |
| RD_885467804307_000 | computation | Reference Data From Materials Project: {formula:Ba(AuF6)2,spaceGroup:Pm-3m,id:mp-558168} |
| RD_885678913308_000 | computation | Reference Data From Materials Project: {formula:YMgAu2,spaceGroup:Fm-3m,id:mp-866171} |
| RD_886772288732_000 | computation | Reference Data From Materials Project: {formula:NbAu2,spaceGroup:P6/mmm,id:mp-1606} |
| RD_886823364176_000 | computation | Reference Data From Materials Project: {formula:ScGeAu,spaceGroup:P6_3mc,id:mp-9350} |
| RD_886895383312_000 | computation | Reference Data From Materials Project: {formula:EuAu5,spaceGroup:P6/mmm,id:mp-510098} |
| RD_887717934664_000 | computation | Reference Data From Materials Project: {formula:Yb2BiAu,spaceGroup:Fm-3m,id:mp-865800} |
| RD_887859110786_000 | computation | Reference Data From Materials Project: {formula:EuSbAu,spaceGroup:P6_3/mmc,id:mp-22475} |
| RD_888704033378_000 | computation | Reference Data From Materials Project: {formula:TbInAu,spaceGroup:P-62m,id:mp-22718} |
| RD_888748333280_000 | computation | Reference Data From Materials Project: {formula:Nb3Au,spaceGroup:Pm-3n,id:mp-2752} |
| RD_889439526801_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:P31m,id:mp-16886} |
| RD_890074611528_000 | computation | Reference Data From Materials Project: {formula:CaSnAu,spaceGroup:Pmcn,id:mp-29561} |
| RD_890502520884_000 | computation | Reference Data From Materials Project: {formula:CaBiAu,spaceGroup:F-43m,id:mp-568398} |
| RD_890605794527_000 | computation | Reference Data From Materials Project: {formula:LiInAu2,spaceGroup:Fm-3m,id:mp-867287} |
| RD_890732613432_000 | computation | Reference Data From Materials Project: {formula:PuHgAu2,spaceGroup:Fm-3m,id:mp-862739} |
| RD_891514656300_000 | computation | Reference Data From Materials Project: {formula:TbAu2,spaceGroup:I4/mmm,id:mp-570179} |
| RD_892092061371_000 | computation | Reference Data From Materials Project: {formula:DySnAu2,spaceGroup:Fm-3m,id:mp-866287} |
| RD_892748254764_000 | computation | Reference Data From Materials Project: {formula:MgSnAu,spaceGroup:F-43m,id:mp-5549} |
| RD_892807662185_000 | computation | Reference Data From Materials Project: {formula:Ac2IrAu,spaceGroup:Fm-3m,id:mp-865951} |
| RD_892920180691_000 | computation | Reference Data From Materials Project: {formula:ThGaAu2,spaceGroup:Fm-3m,id:mp-862875} |
| RD_893097064829_000 | computation | Reference Data From Materials Project: {formula:YbPd2Au,spaceGroup:Fm-3m,id:mp-865815} |
| RD_893436116131_000 | computation | Reference Data From Materials Project: {formula:KP2Au5S8,spaceGroup:P2_1/c,id:mp-561218} |
| RD_893606940404_000 | computation | Reference Data From Materials Project: {formula:LiLa4AuO8,spaceGroup:Cmmm,id:mp-560605} |
| RD_893636438105_000 | computation | Reference Data From Materials Project: {formula:LiGaAu2,spaceGroup:Fm-3m,id:mp-861900} |
| RD_893788624679_000 | computation | Reference Data From Materials Project: {formula:Cu3Au,spaceGroup:Pm-3m,id:mp-2258} |
| RD_894351078382_000 | computation | Reference Data From Materials Project: {formula:HoInAu,spaceGroup:P-62m,id:mp-3630} |
| RD_894491677456_000 | computation | Reference Data From Materials Project: {formula:Mg3Au,spaceGroup:P-3c1,id:mp-1557} |
| RD_895386741445_000 | computation | Reference Data From Materials Project: {formula:Ba2BiAu,spaceGroup:Fm-3m,id:mp-862947} |
| RD_895588805663_000 | computation | Reference Data From Materials Project: {formula:Ca2SbAu,spaceGroup:Fm-3m,id:mp-861950} |
| RD_896056526617_000 | computation | Reference Data From Materials Project: {formula:DyPbAu,spaceGroup:F-43m,id:mp-11242} |
| RD_896146763439_000 | computation | Reference Data From Materials Project: {formula:BeAu2,spaceGroup:I4/mmm,id:mp-12761} |
| RD_897814655358_000 | computation | Reference Data From Materials Project: {formula:Ta3Au,spaceGroup:Pm-3n,id:mp-569249} |
| RD_898771329606_000 | computation | Reference Data From Materials Project: {formula:NaLaAu2,spaceGroup:Fm-3m,id:mp-865098} |
| RD_898923505120_000 | computation | Reference Data From Materials Project: {formula:SnAu,spaceGroup:P6_3/mmc,id:mp-1775} |
| RD_898929542684_000 | computation | Reference Data From Materials Project: {formula:HoAu4,spaceGroup:I4/m,id:mp-30387} |
| RD_900418414635_000 | computation | Reference Data From Materials Project: {formula:LiMgSnAu,spaceGroup:F-43m,id:mp-7554} |
| RD_900932190267_000 | computation | Reference Data From Materials Project: {formula:Sr(InAu)3,spaceGroup:Pmmn,id:mp-581716} |
| RD_901083821876_000 | computation | Reference Data From Materials Project: {formula:Li2AgAu,spaceGroup:Fm-3m,id:mp-865879} |
| RD_902364536779_000 | computation | Reference Data From Materials Project: {formula:K4Au6S5,spaceGroup:P-62c,id:mp-29341} |
| RD_904019132491_000 | computation | Reference Data From Materials Project: {formula:LiInAu2,spaceGroup:Fm-3m,id:mp-867287} |
| RD_904097255797_000 | computation | Reference Data From Materials Project: {formula:Cs2Sn(AuS2)2,spaceGroup:Fddd,id:mp-561641} |
| RD_905052286888_000 | computation | Reference Data From Materials Project: {formula:Y(SiAu)2,spaceGroup:I4/mmm,id:mp-570452} |
| RD_905603548902_000 | computation | Reference Data From Materials Project: {formula:Er2SnAu2,spaceGroup:P4_2/mnm,id:mp-31143} |
| RD_906813224411_000 | computation | Reference Data From Materials Project: {formula:CeSnAu,spaceGroup:P6_3mc,id:mp-11081} |
| RD_907026537542_000 | computation | Reference Data From Materials Project: {formula:V3Au,spaceGroup:Pm-3m,id:mp-570698} |
| RD_909767670529_000 | computation | Reference Data From Materials Project: {formula:Ca2PbAu2,spaceGroup:P4/mbm,id:mp-20723} |
| RD_910427117158_000 | computation | Reference Data From Materials Project: {formula:SmPbAu2,spaceGroup:Fm-3m,id:mp-867985} |
| RD_911182546722_000 | computation | Reference Data From Materials Project: {formula:YMgAu2,spaceGroup:Fm-3m,id:mp-866171} |
| RD_912068583122_000 | computation | Reference Data From Materials Project: {formula:Cd2AgAu,spaceGroup:Fm-3m,id:mp-31170} |
| RD_912321845478_000 | computation | Reference Data From Materials Project: {formula:SmInAu2,spaceGroup:Fm-3m,id:mp-568596} |
| RD_915552853632_000 | computation | Reference Data From Materials Project: {formula:PH9AuC3S3Cl,spaceGroup:Pbca,id:mp-603254} |
| RD_916348558107_000 | computation | Reference Data From Materials Project: {formula:LaPbAu2,spaceGroup:Fm-3m,id:mp-862663} |
| RD_916412272854_000 | computation | Reference Data From Materials Project: {formula:Ag(AuS)2,spaceGroup:Pc,id:mp-35835} |
| RD_917036674987_000 | computation | Reference Data From Materials Project: {formula:CaCdAu2,spaceGroup:Fm-3m,id:mp-866010} |
| RD_918369542503_000 | computation | Reference Data From Materials Project: {formula:MnSnAu,spaceGroup:F-43m,id:mp-22027} |
| RD_919009957915_000 | computation | Reference Data From Materials Project: {formula:K5P2Au,spaceGroup:P6_3/mmc,id:mp-14624} |
| RD_919709440184_000 | computation | Reference Data From Materials Project: {formula:Ca5Au2,spaceGroup:C2/c,id:mp-30367} |
| RD_921183734463_000 | computation | Reference Data From Materials Project: {formula:LiAlAu2,spaceGroup:Fm-3m,id:mp-862717} |
| RD_922530646374_000 | computation | Reference Data From Materials Project: {formula:YGeAu,spaceGroup:P6_3mc,id:mp-10098} |
| RD_923363484405_000 | computation | Reference Data From Materials Project: {formula:DySnAu,spaceGroup:P6_3mc,id:mp-31414} |
| RD_923378673651_000 | computation | Reference Data From Materials Project: {formula:LaGaAu2,spaceGroup:Fm-3m,id:mp-862654} |
| RD_923726240875_000 | computation | Reference Data From Materials Project: {formula:Cs2Au2Se3,spaceGroup:C2/c,id:mp-29194} |
| RD_926261307757_000 | computation | Reference Data From Materials Project: {formula:Ca3Au4,spaceGroup:R-3,id:mp-12699} |
| RD_926658851804_000 | computation | Reference Data From Materials Project: {formula:Ho2OsAu,spaceGroup:Fm-3m,id:mp-863736} |
| RD_928215866367_000 | computation | Reference Data From Materials Project: {formula:ThAu3,spaceGroup:P6_3/mmc,id:mp-865180} |
| RD_928478627235_000 | computation | Reference Data From Materials Project: {formula:MgAu3,spaceGroup:P6_3/mmc,id:mp-864935} |
| RD_929928896048_000 | computation | Reference Data From Materials Project: {formula:RbAuCl4,spaceGroup:C2/c,id:mp-569442} |
| RD_930055568322_000 | computation | Reference Data From Materials Project: {formula:KTeAu,spaceGroup:P6_3/mmc,id:mp-3553} |
| RD_930938790203_000 | computation | Reference Data From Materials Project: {formula:Li2TlAu,spaceGroup:F-43m,id:mp-30406} |
| RD_931443896667_000 | computation | Reference Data From Materials Project: {formula:AuCN,spaceGroup:P6mm,id:mp-29196} |
| RD_932635166230_000 | computation | Reference Data From Materials Project: {formula:Sr2AsAu,spaceGroup:Fm-3m,id:mp-867192} |
| RD_933331828072_000 | computation | Reference Data From Materials Project: {formula:YbBiAu,spaceGroup:F-43m,id:mp-31142} |
| RD_934074520020_000 | computation | Reference Data From Materials Project: {formula:Ni2Sn4Au,spaceGroup:R-3m,id:mp-568925} |
| RD_934283671145_000 | computation | Reference Data From Materials Project: {formula:LiScAu2,spaceGroup:Fm-3m,id:mp-862815} |
| RD_934556588141_000 | computation | Reference Data From Materials Project: {formula:PmAgAu2,spaceGroup:Fm-3m,id:mp-862872} |
| RD_936207419227_000 | computation | Reference Data From Materials Project: {formula:TeAuI,spaceGroup:P2_1/c,id:mp-27741} |
| RD_937179889229_000 | computation | Reference Data From Materials Project: {formula:MnSnAu,spaceGroup:F-43m,id:mp-22027} |
| RD_937944027709_000 | computation | Reference Data From Materials Project: {formula:CsAu2F7,spaceGroup:C2/c,id:mp-554737} |
| RD_938071664308_000 | computation | Reference Data From Materials Project: {formula:ScSnAu,spaceGroup:F-43m,id:mp-2894} |
| RD_939259001741_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_940171361507_000 | computation | Reference Data From Materials Project: {formula:RbAuO2,spaceGroup:Ccmm,id:mp-7472} |
| RD_941987986751_000 | computation | Reference Data From Materials Project: {formula:LaGaAu2,spaceGroup:Fm-3m,id:mp-862654} |
| RD_942958600227_000 | computation | Reference Data From Materials Project: {formula:YbNaAu2,spaceGroup:Fm-3m,id:mp-865849} |
| RD_943151537789_000 | computation | Reference Data From Materials Project: {formula:NaBi2AuO5,spaceGroup:P4/mbm,id:mp-557498} |
| RD_943372787382_000 | computation | Reference Data From Materials Project: {formula:K3Ge4Au,spaceGroup:Pnmm,id:mp-17112} |
| RD_943777561359_000 | computation | Reference Data From Materials Project: {formula:PmInAu2,spaceGroup:Fm-3m,id:mp-862917} |
| RD_944074778059_000 | computation | Reference Data From Materials Project: {formula:KAuSe5,spaceGroup:Icma,id:mp-3257} |
| RD_944922263484_000 | computation | Reference Data From Materials Project: {formula:TbInAu2,spaceGroup:Fm-3m,id:mp-567210} |
| RD_945512712257_000 | computation | Reference Data From Materials Project: {formula:AlCuAu2,spaceGroup:Fm-3m,id:mp-867306} |
| RD_945553819873_000 | computation | Reference Data From Materials Project: {formula:PaTe2Au,spaceGroup:Fm-3m,id:mp-862829} |
| RD_945747903216_000 | computation | Reference Data From Materials Project: {formula:LaBiAu2,spaceGroup:Fm-3m,id:mp-867908} |
| RD_947520200296_000 | computation | Reference Data From Materials Project: {formula:AlAu,spaceGroup:Pm-3m,id:mp-10871} |
| RD_948049999669_000 | computation | Reference Data From Materials Project: {formula:Ho2Au,spaceGroup:Pmnb,id:mp-30385} |
| RD_948851539053_000 | computation | Reference Data From Materials Project: {formula:MgSnAu,spaceGroup:F-43m,id:mp-5549} |
| RD_949173949869_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_950401730619_000 | computation | Reference Data From Materials Project: {formula:AcSbAu2,spaceGroup:Fm-3m,id:mp-862894} |
| RD_951975442568_000 | computation | Reference Data From Materials Project: {formula:Yb2SbAu,spaceGroup:Fm-3m,id:mp-864783} |
| RD_952094262614_000 | computation | Reference Data From Materials Project: {formula:InAuO2,spaceGroup:P6_3/mmc,id:mp-19723} |
| RD_952224147924_000 | computation | Reference Data From Materials Project: {formula:LaInAu,spaceGroup:P-62m,id:mp-21438} |
| RD_955369785712_000 | computation | Reference Data From Materials Project: {formula:AgAuS2,spaceGroup:Pccm,id:mp-37920} |
| RD_956528235442_000 | computation | Reference Data From Materials Project: {formula:H16AuC6S2N4ClO4,spaceGroup:Pbcn,id:mp-705526} |
| RD_957909130964_000 | computation | Reference Data From Materials Project: {formula:HfGaAu,spaceGroup:P-6m2,id:mp-12952} |
| RD_958395020163_000 | computation | Reference Data From Materials Project: {formula:CdSbAu,spaceGroup:F-43m,id:mp-16246} |
| RD_959921778693_000 | computation | Reference Data From Materials Project: {formula:LaCdAu,spaceGroup:P-62m,id:mp-542251} |
| RD_960616928161_000 | computation | Reference Data From Materials Project: {formula:EuInAu,spaceGroup:Pmnb,id:mp-19901} |
| RD_962524412017_000 | computation | Reference Data From Materials Project: {formula:TmInAu2,spaceGroup:Fm-3m,id:mp-568830} |
| RD_962830434779_000 | computation | Reference Data From Materials Project: {formula:YbSnAu,spaceGroup:Im2m,id:mp-570947} |
| RD_964763400321_000 | computation | Reference Data From Materials Project: {formula:AuBr3,spaceGroup:P2_1/c,id:mp-27213} |
| RD_965902329001_000 | computation | Reference Data From Materials Project: {formula:ThSiAu,spaceGroup:P-6m2,id:mp-9164} |
| RD_966610393510_000 | computation | Reference Data From Materials Project: {formula:Li2BiAu,spaceGroup:F-43m,id:mp-567076} |
| RD_967024608622_000 | computation | Reference Data From Materials Project: {formula:PrInAu,spaceGroup:P-62m,id:mp-621132} |
| RD_967214708036_000 | computation | Reference Data From Materials Project: {formula:ThAu2,spaceGroup:P6/mmm,id:mp-1025} |
| RD_967819974466_000 | computation | Reference Data From Materials Project: {formula:EuCdAu2,spaceGroup:Fm-3m,id:mp-866297} |
| RD_968100640260_000 | computation | Reference Data From Materials Project: {formula:AlAu4,spaceGroup:P2_13,id:mp-1490} |
| RD_969057886410_000 | computation | Reference Data From Materials Project: {formula:Na3AuO3,spaceGroup:P4_2/mnm,id:mp-768915} |
| RD_969331848370_000 | computation | Reference Data From Materials Project: {formula:HfAlAu2,spaceGroup:Fm-3m,id:mp-10872} |
| RD_969419622564_000 | computation | Reference Data From Materials Project: {formula:RbAu3Se2,spaceGroup:P-3m1,id:mp-9385} |
| RD_971067642828_000 | computation | Reference Data From Materials Project: {formula:USnAu2,spaceGroup:Fm-3m,id:mp-30419} |
| RD_971414069892_000 | computation | Reference Data From Materials Project: {formula:YSnAu2,spaceGroup:Fm-3m,id:mp-865514} |
| RD_972013213650_000 | computation | Reference Data From Materials Project: {formula:Li3Au,spaceGroup:Fm-3m,id:mp-11247} |
| RD_975906565552_000 | computation | Reference Data From Materials Project: {formula:YbSnAu2,spaceGroup:Fm-3m,id:mp-865995} |
| RD_976256212950_000 | computation | Reference Data From Materials Project: {formula:PbAu2,spaceGroup:Fd-3m,id:mp-19871} |
| RD_976945777973_000 | computation | Reference Data From Materials Project: {formula:Tl2Au,spaceGroup:I4/mcm,id:mp-30571} |
| RD_977049449348_000 | computation | Reference Data From Materials Project: {formula:LiAuF4,spaceGroup:C2/c,id:mp-12263} |
| RD_977103180116_000 | computation | Reference Data From Materials Project: {formula:CeCu5Au,spaceGroup:Pmnb,id:mp-12562} |
| RD_978128846545_000 | computation | Reference Data From Materials Project: {formula:CaGaAu3,spaceGroup:Pa3,id:mp-567485} |
| RD_979600562475_000 | computation | Reference Data From Materials Project: {formula:PuAu3,spaceGroup:P6_3/mmc,id:mp-861592} |
| RD_980242643712_000 | computation | Reference Data From Materials Project: {formula:CrAuS2,spaceGroup:R-3m,id:mp-7113} |
| RD_980768369316_000 | computation | Reference Data From Materials Project: {formula:KNa2AuO2,spaceGroup:Pmnn,id:mp-559067} |
| RD_980935483188_000 | computation | Reference Data From Materials Project: {formula:GdMgAu,spaceGroup:P-62m,id:mp-580154} |
| RD_982187959951_000 | computation | Reference Data From Materials Project: {formula:In3Au7,spaceGroup:P-3,id:mp-567550} |
| RD_982643919760_000 | computation | Reference Data From Materials Project: {formula:K3AuO,spaceGroup:Pm-3m,id:mp-9200} |
| RD_983672779742_000 | computation | Reference Data From Materials Project: {formula:TlPd2Au,spaceGroup:Fm-3m,id:mp-865232} |
| RD_983773012468_000 | computation | Reference Data From Materials Project: {formula:RbAu3Se2,spaceGroup:P-3m1,id:mp-9385} |
| RD_984162176210_000 | computation | Reference Data From Materials Project: {formula:Nd(In2Au)2,spaceGroup:Pmcn,id:mp-607126} |
| RD_984257589916_000 | computation | Reference Data From Materials Project: {formula:Ca(AuF6)2,spaceGroup:P-4m2,id:mp-28153} |
| RD_985304293937_000 | computation | Reference Data From Materials Project: {formula:ZrInAu2,spaceGroup:Fm-3m,id:mp-581707} |
| RD_985907523388_000 | computation | Reference Data From Materials Project: {formula:Rb3Sb2Au3,spaceGroup:R-3m,id:mp-9274} |
| RD_986169317272_000 | computation | Reference Data From Materials Project: {formula:PmMgAu2,spaceGroup:Fm-3m,id:mp-862933} |
| RD_987006006825_000 | computation | Reference Data From Materials Project: {formula:Pu2BiAu,spaceGroup:Fm-3m,id:mp-861929} |
| RD_987861904990_000 | computation | Reference Data From Materials Project: {formula:Gd4Au2O9,spaceGroup:Pbna,id:mp-623092} |
| RD_988638950454_000 | computation | Reference Data From Materials Project: {formula:Ti3Au,spaceGroup:Pm-3m,id:mp-11260} |
| RD_989486675540_000 | computation | Reference Data From Materials Project: {formula:Bi8SbAuBr9,spaceGroup:P2_1/c,id:mp-573727} |
| RD_989551735825_000 | computation | Reference Data From Materials Project: {formula:PrSnAu,spaceGroup:P6_3mc,id:mp-31412} |
| RD_989561577689_000 | computation | Reference Data From Materials Project: {formula:HoAu,spaceGroup:Pm-3m,id:mp-11245} |
| RD_989968129201_000 | computation | Reference Data From Materials Project: {formula:Au2Se3O10,spaceGroup:Cmc2_1,id:mp-559824} |
| RD_990195834250_000 | computation | Reference Data From Materials Project: {formula:CaAu5,spaceGroup:F-43m,id:mp-568920} |
| RD_990764971676_000 | computation | Reference Data From Materials Project: {formula:Li5AuO4,spaceGroup:P-1,id:mp-675606} |
| RD_990856253964_000 | computation | Reference Data From Materials Project: {formula:Pm2IrAu,spaceGroup:Fm-3m,id:mp-863715} |
| RD_991156623485_000 | computation | Reference Data From Materials Project: {formula:NdAu,spaceGroup:Pm-3m,id:mp-11254} |
| RD_992956736908_000 | computation | Reference Data From Materials Project: {formula:EuPAu,spaceGroup:P6_3/mmc,id:mp-22783} |
| RD_994627262710_000 | computation | Reference Data From Materials Project: {formula:GdAl7Au3,spaceGroup:R-3c,id:mp-22711} |
| RD_995003124847_000 | computation | Reference Data From Materials Project: {formula:AcAu3,spaceGroup:P6_3/mmc,id:mp-867838} |
| RD_995238909800_000 | computation | Reference Data From Materials Project: {formula:AcTlAu2,spaceGroup:Fm-3m,id:mp-865952} |
| RD_996908891652_000 | computation | Reference Data From Materials Project: {formula:CeSnAu2,spaceGroup:Fm-3m,id:mp-867310} |
| RD_996917967064_000 | computation | Reference Data From Materials Project: {formula:LiAu3,spaceGroup:Pm-3m,id:mp-11248} |
| RD_997024197167_000 | computation | Reference Data From Materials Project: {formula:MgAu,spaceGroup:Pm-3m,id:mp-437} |
| RD_997154244588_000 | computation | Reference Data From Materials Project: {formula:Np(SiAu)2,spaceGroup:I4/mmm,id:mp-20166} |
| RD_998439185738_000 | computation | Reference Data From Materials Project: {formula:PmGaAu2,spaceGroup:Fm-3m,id:mp-862905} |
| Reference Data | Data Method | Description |
|---|---|---|
| RD_000218151475_000 | computation | Reference Data From Materials Project: {formula:Mg2B24C,spaceGroup:P-4n2,id:mp-568556} |
| RD_000464324105_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:Cc,id:mp-850248} |
| RD_000728108240_000 | computation | Reference Data From Materials Project: {formula:MnB,spaceGroup:P4_2/ncm,id:mp-616575} |
| RD_000755028626_000 | computation | Reference Data From Materials Project: {formula:YB2Rh2C,spaceGroup:I4/mmm,id:mp-12737} |
| RD_001298923595_000 | computation | Reference Data From Materials Project: {formula:Ca5B3O9F,spaceGroup:Cm,id:mp-6632} |
| RD_001442404961_000 | computation | Reference Data From Materials Project: {formula:Gd(CoB)2,spaceGroup:I4/mmm,id:mp-610530} |
| RD_001595162200_000 | computation | Reference Data From Materials Project: {formula:B3H52C16(NO)12,spaceGroup:Cmm2,id:mp-699412} |
| RD_001890320031_000 | computation | Reference Data From Materials Project: {formula:MgB4,spaceGroup:Pmnb,id:mp-365} |
| RD_002017937817_000 | computation | Reference Data From Materials Project: {formula:Na2FeBAsO7,spaceGroup:P2_1/m,id:mp-771805} |
| RD_002040511184_000 | computation | Reference Data From Materials Project: {formula:Tm(BO2)3,spaceGroup:Pmcn,id:mp-680717} |
| RD_003685631634_000 | computation | Reference Data From Materials Project: {formula:PrB2Rh2C,spaceGroup:I4/mmm,id:mp-568924} |
| RD_003879553410_000 | computation | Reference Data From Materials Project: {formula:LiVBO3,spaceGroup:P-6,id:mp-769817} |
| RD_003887982984_000 | computation | Reference Data From Materials Project: {formula:B4C,spaceGroup:R-3m,id:mp-696746} |
| RD_004047913976_000 | computation | Reference Data From Materials Project: {formula:NdB6,spaceGroup:Pm-3m,id:mp-1929} |
| RD_004485806969_000 | computation | Reference Data From Materials Project: {formula:ScBIr3,spaceGroup:Pm-3m,id:mp-10113} |
| RD_005128787566_000 | computation | Reference Data From Materials Project: {formula:K3Na4Si3BF22,spaceGroup:Im2m,id:mp-581403} |
| RD_005236924874_000 | computation | Reference Data From Materials Project: {formula:LiBi6B3O14,spaceGroup:P2_1/c,id:mp-778009} |
| RD_005246307384_000 | computation | Reference Data From Materials Project: {formula:YbCo(BO2)5,spaceGroup:P2_1/c,id:mp-651008} |
| RD_005518722347_000 | computation | Reference Data From Materials Project: {formula:Na6Fe2B4AsO16,spaceGroup:Fd3,id:mp-770768} |
| RD_005726908828_000 | computation | Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:P2_1/c,id:mp-768736} |
| RD_006257873260_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764453} |
| RD_006360528946_000 | computation | Reference Data From Materials Project: {formula:Li2BSbO4,spaceGroup:P2_1/c,id:mp-770654} |
| RD_006643237423_000 | computation | Reference Data From Materials Project: {formula:MgB2,spaceGroup:P6/mmm,id:mp-763} |
| RD_006775061133_000 | computation | Reference Data From Materials Project: {formula:Na3Sr(BO2)5,spaceGroup:P-1,id:mp-6775} |
| RD_006858470875_000 | computation | Reference Data From Materials Project: {formula:HoB2C,spaceGroup:P4_2/mbc,id:mp-15603} |
| RD_007189031868_000 | computation | Reference Data From Materials Project: {formula:NdZn(BO2)5,spaceGroup:P2_1/c,id:mp-15519} |
| RD_007195564501_000 | computation | Reference Data From Materials Project: {formula:BH7N2,spaceGroup:Pbna,id:mp-27612} |
| RD_007408514443_000 | computation | Reference Data From Materials Project: {formula:B5H8NO12,spaceGroup:C2/c,id:mp-721584} |
| RD_007466656068_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-849410} |
| RD_007556142183_000 | computation | Reference Data From Materials Project: {formula:SmCo3B2,spaceGroup:P6/mmm,id:mp-5410} |
| RD_007637387566_000 | computation | Reference Data From Materials Project: {formula:FeB2,spaceGroup:P6/mmm,id:mp-569376} |
| RD_007679471441_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-850434} |
| RD_007905305725_000 | computation | Reference Data From Materials Project: {formula:Li3V(BO3)2,spaceGroup:P-1,id:mp-868642} |
| RD_008070217623_000 | computation | Reference Data From Materials Project: {formula:Li2B4H4O9,spaceGroup:P-1,id:mp-604459} |
| RD_008190994485_000 | computation | Reference Data From Materials Project: {formula:B4Rh5,spaceGroup:P6_3/mmc,id:mp-567926} |
| RD_008758834961_000 | computation | Reference Data From Materials Project: {formula:YbNiB4,spaceGroup:Pmcb,id:mp-21181} |
| RD_009411003886_000 | computation | Reference Data From Materials Project: {formula:Li4B2O5,spaceGroup:C2/c,id:mp-768884} |
| RD_009451718620_000 | computation | Reference Data From Materials Project: {formula:Nd2Fe14B,spaceGroup:P4_2/mnm,id:mp-616958} |
| RD_009577742404_000 | computation | Reference Data From Materials Project: {formula:Er3CrB7,spaceGroup:Cmcm,id:mp-14503} |
| RD_009611148687_000 | computation | Reference Data From Materials Project: {formula:AlAgB,spaceGroup:F-43m,id:mp-631568} |
| RD_009694642714_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764483} |
| RD_009752500020_000 | computation | Reference Data From Materials Project: {formula:Sm2B5,spaceGroup:P2_1/c,id:mp-570421} |
| RD_010252043089_000 | computation | Reference Data From Materials Project: {formula:CoB12H28(NO15)2,spaceGroup:P-1,id:mp-735475} |
| RD_010632835607_000 | computation | Reference Data From Materials Project: {formula:Lu2B4O9,spaceGroup:P-1,id:mp-772781} |
| RD_011204016099_000 | computation | Reference Data From Materials Project: {formula:TmBRh3,spaceGroup:Pm-3m,id:mp-5438} |
| RD_011556249479_000 | computation | Reference Data From Materials Project: {formula:PrBS3,spaceGroup:Pna2_1,id:mp-862754} |
| RD_011586153133_000 | computation | Reference Data From Materials Project: {formula:Ba2Zn(BO2)6,spaceGroup:P-1,id:mp-558680} |
| RD_011789855288_000 | computation | Reference Data From Materials Project: {formula:BBr3,spaceGroup:P6_3/m,id:mp-23225} |
| RD_012886477978_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3/mmc,id:mp-7991} |
| RD_013087067604_000 | computation | Reference Data From Materials Project: {formula:Hf2BiB,spaceGroup:F-43m,id:mp-631558} |
| RD_013343422495_000 | computation | Reference Data From Materials Project: {formula:LaSc3(BO3)4,spaceGroup:C2/c,id:mp-6217} |
| RD_013859109357_000 | computation | Reference Data From Materials Project: {formula:DyBO3,spaceGroup:P-1,id:mp-10792} |
| RD_014286202309_000 | computation | Reference Data From Materials Project: {formula:DyCo3B2,spaceGroup:P6/mmm,id:mp-20193} |
| RD_014291141502_000 | computation | Reference Data From Materials Project: {formula:HfGeB2,spaceGroup:F-43m,id:mp-631549} |
| RD_014514175529_000 | computation | Reference Data From Materials Project: {formula:CaB3H7O9,spaceGroup:P-1,id:mp-720430} |
| RD_014626146838_000 | computation | Reference Data From Materials Project: {formula:Li3MnBPO7,spaceGroup:P2_1/m,id:mp-771732} |
| RD_014960751935_000 | computation | Reference Data From Materials Project: {formula:Na3SiSnBO7,spaceGroup:P2_1/m,id:mp-772986} |
| RD_015263862041_000 | computation | Reference Data From Materials Project: {formula:Li6Gd(BO3)3,spaceGroup:P2_1/c,id:mp-16699} |
| RD_015352001215_000 | computation | Reference Data From Materials Project: {formula:BaGa2B2O7,spaceGroup:Cmcm,id:mp-560870} |
| RD_015495112211_000 | computation | Reference Data From Materials Project: {formula:Sr16Cu8BC7O40,spaceGroup:P1,id:mp-686590} |
| RD_015836474188_000 | computation | Reference Data From Materials Project: {formula:LiBF4,spaceGroup:P3_121,id:mp-12403} |
| RD_016008750094_000 | computation | Reference Data From Materials Project: {formula:Na6Bi2B4SO16,spaceGroup:Fd3,id:mp-779289} |
| RD_016110700656_000 | computation | Reference Data From Materials Project: {formula:NbBW,spaceGroup:F-43m,id:mp-631531} |
| RD_016173731634_000 | computation | Reference Data From Materials Project: {formula:KBC4NF9,spaceGroup:Pbnm,id:mp-559648} |
| RD_016361893255_000 | computation | Reference Data From Materials Project: {formula:Cs(BH)6,spaceGroup:Fm3,id:mp-24136} |
| RD_016380951234_000 | computation | Reference Data From Materials Project: {formula:B2S3,spaceGroup:P2_1/c,id:mp-572670} |
| RD_016471426737_000 | computation | Reference Data From Materials Project: {formula:Na6Fe2B4PO16,spaceGroup:Fd3,id:mp-772422} |
| RD_016665854358_000 | computation | Reference Data From Materials Project: {formula:Na2Gd2B2O7,spaceGroup:P2_1/c,id:mp-583646} |
| RD_016879618403_000 | computation | BN 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': 0} |
| RD_016889409936_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Pm,id:mp-850168} |
| RD_016991809741_000 | computation | Reference Data From Materials Project: {formula:Ba3(BO3)2,spaceGroup:R-3c,id:mp-755417} |
| RD_017086406781_000 | computation | Reference Data From Materials Project: {formula:PrB2ClO4,spaceGroup:P-1,id:mp-556450} |
| RD_017538908916_000 | computation | Reference Data From Materials Project: {formula:TbCo3B2,spaceGroup:P6/mmm,id:mp-3040} |
| RD_017557744742_000 | computation | BC in AFLOW crystal prototype A13B2_hR15_166_a2h_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_018040324862_000 | computation | Reference Data From Materials Project: {formula:SmB6,spaceGroup:Pm-3m,id:mp-6996} |
| RD_018154265342_000 | computation | Reference Data From Materials Project: {formula:B13P2,spaceGroup:R-3m,id:mp-13862} |
| RD_018158701871_000 | computation | Reference Data From Materials Project: {formula:CeB2Ru3,spaceGroup:P6/mmm,id:mp-5940} |
| RD_018483152611_000 | computation | Reference Data From Materials Project: {formula:ErB3Mo,spaceGroup:P2_1/m,id:mp-5426} |
| RD_018568203661_000 | computation | Reference Data From Materials Project: {formula:Li3SiSnBO7,spaceGroup:P2_1/m,id:mp-770756} |
| RD_018670535685_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P3_2,id:mp-777247} |
| RD_019224998286_000 | computation | BC in AFLOW crystal prototype AB7_hP8_156_b_4ab2c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_019320817574_000 | computation | Reference Data From Materials Project: {formula:Ho2B4O9,spaceGroup:P-1,id:mp-768301} |
| RD_019465662034_000 | computation | Reference Data From Materials Project: {formula:MnBO3,spaceGroup:R-3c,id:mp-761288} |
| RD_019606579698_000 | computation | Reference Data From Materials Project: {formula:Lu(BRh)4,spaceGroup:Ccce,id:mp-28001} |
| RD_020368563498_000 | computation | Reference Data From Materials Project: {formula:TbB2,spaceGroup:P6/mmm,id:mp-965} |
| RD_020848512152_000 | computation | Reference Data From Materials Project: {formula:Li3Bi(BO3)2,spaceGroup:P-1,id:mp-777851} |
| RD_020990416439_000 | computation | Reference Data From Materials Project: {formula:Li3Ni(BO3)2,spaceGroup:P-1,id:mp-770876} |
| RD_021410395193_000 | computation | Reference Data From Materials Project: {formula:Sr3Y2(BO3)4,spaceGroup:Pna2_1,id:mp-561157} |
| RD_021554357094_000 | computation | Reference Data From Materials Project: {formula:Na3NiBAsO7,spaceGroup:P2_1/m,id:mp-771589} |
| RD_021867777934_000 | computation | Reference Data From Materials Project: {formula:Ce3Co11B4,spaceGroup:P6/mmm,id:mp-13765} |
| RD_022106825727_000 | computation | Reference Data From Materials Project: {formula:Nd2NiB10,spaceGroup:Pmcb,id:mp-22471} |
| RD_022367298327_000 | computation | Reference Data From Materials Project: {formula:B2W,spaceGroup:P6_3/mmc,id:mp-569803} |
| RD_022394862138_000 | computation | Reference Data From Materials Project: {formula:TbFe3(BO3)4,spaceGroup:R32,id:mp-19136} |
| RD_022838477549_000 | computation | Reference Data From Materials Project: {formula:Ti3Co5B2,spaceGroup:P4/mbm,id:mp-504617} |
| RD_022993684739_000 | computation | Reference Data From Materials Project: {formula:HoBRh3,spaceGroup:Pm-3m,id:mp-3710} |
| RD_022993808662_000 | computation | Reference Data From Materials Project: {formula:BiB2O5,spaceGroup:C2/c,id:mp-768314} |
| RD_023000098650_000 | computation | Reference Data From Materials Project: {formula:BaSi2(BO4)2,spaceGroup:Pnma,id:mp-555387} |
| RD_023127884720_000 | computation | BN in AFLOW crystal prototype AB_hP4_194_c_d. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_023195921456_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-764932} |
| RD_023313274122_000 | computation | Reference Data From Materials Project: {formula:Ba(BSe3)2,spaceGroup:Cmce,id:mp-570823} |
| RD_023337244804_000 | computation | Reference Data From Materials Project: {formula:Li3CrB4O9,spaceGroup:P2_1/m,id:mp-761306} |
| RD_023654988946_000 | computation | Reference Data From Materials Project: {formula:Ni3B7ClO13,spaceGroup:Pbc2_1,id:mp-567012} |
| RD_023776425906_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-774976} |
| RD_024617270300_000 | computation | Reference Data From Materials Project: {formula:Li3Bi(BO3)2,spaceGroup:P-1,id:mp-768797} |
| RD_024655613856_000 | computation | Reference Data From Materials Project: {formula:Ba3B(PO4)3,spaceGroup:Ibca,id:mp-6578} |
| RD_025037524001_000 | computation | Reference Data From Materials Project: {formula:ZrAgB,spaceGroup:F-43m,id:mp-961701} |
| RD_025277438271_000 | computation | Reference Data From Materials Project: {formula:BNF8,spaceGroup:P-42_1m,id:mp-4674} |
| RD_025399888067_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-850410} |
| RD_025506854455_000 | computation | Reference Data From Materials Project: {formula:Dy3BWO9,spaceGroup:P6_3,id:mp-645246} |
| RD_025554990218_000 | computation | Reference Data From Materials Project: {formula:Bi4(B2O5)3,spaceGroup:C2/c,id:mp-768923} |
| RD_025889030767_000 | computation | Reference Data From Materials Project: {formula:BS2,spaceGroup:P2_1/c,id:mp-540668} |
| RD_026147682760_000 | computation | Reference Data From Materials Project: {formula:HoBO3,spaceGroup:P-1,id:mp-780393} |
| RD_026299692668_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3/mmc,id:mp-601223} |
| RD_027288679530_000 | computation | Reference Data From Materials Project: {formula:VCoB3,spaceGroup:Cmcm,id:mp-10057} |
| RD_027406416701_000 | computation | Reference Data From Materials Project: {formula:Li5B7S13,spaceGroup:Cc,id:mp-532413} |
| RD_027427981215_000 | computation | Reference Data From Materials Project: {formula:K3Y(BO3)2,spaceGroup:Pmnn,id:mp-555495} |
| RD_027436105987_000 | computation | BZr in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_028047365448_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3/mmc,id:mp-984} |
| RD_028488720742_000 | computation | Reference Data From Materials Project: {formula:Ca3YGa3B4O15,spaceGroup:Pm,id:mp-695475} |
| RD_028635752388_000 | computation | Reference Data From Materials Project: {formula:LiFeBO4,spaceGroup:Pnma,id:mp-777222} |
| RD_028718067538_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-851018} |
| RD_028727581757_000 | computation | Reference Data From Materials Project: {formula:TbB2,spaceGroup:P6/mmm,id:mp-965} |
| RD_029088055923_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P3_2,id:mp-777247} |
| RD_029196710278_000 | computation | Reference Data From Materials Project: {formula:Be(B3H8)2,spaceGroup:P2_1/c,id:mp-722237} |
| RD_029217445189_000 | computation | Reference Data From Materials Project: {formula:LiCrBO3,spaceGroup:P-6,id:mp-769703} |
| RD_029302440789_000 | computation | BO in AFLOW crystal prototype A6B_hR14_166_2h_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_029947356942_000 | computation | Reference Data From Materials Project: {formula:MgB4(H9O8)2,spaceGroup:P-1,id:mp-540731} |
| RD_030016587728_000 | computation | Reference Data From Materials Project: {formula:La5B4N9,spaceGroup:Pmca,id:mp-29594} |
| RD_030284485549_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_030354428548_000 | computation | Reference Data From Materials Project: {formula:B4W,spaceGroup:P6_3/mmc,id:mp-29651} |
| RD_030694800218_000 | computation | Reference Data From Materials Project: {formula:Rb2B2Se7,spaceGroup:C2/c,id:mp-16184} |
| RD_030926401502_000 | computation | Reference Data From Materials Project: {formula:Ho2Cu(BO2)8,spaceGroup:Pbam,id:mp-554184} |
| RD_031501894929_000 | computation | Reference Data From Materials Project: {formula:Dy3Co11B4,spaceGroup:P6/mmm,id:mp-30907} |
| RD_031527086710_000 | computation | Reference Data From Materials Project: {formula:KB3(HO3)2,spaceGroup:P4/ncc,id:mp-605642} |
| RD_031608880515_000 | computation | Reference Data From Materials Project: {formula:DyBO3,spaceGroup:P-1,id:mp-12315} |
| RD_032012379075_000 | computation | Reference Data From Materials Project: {formula:TlB5O8,spaceGroup:Pbca,id:mp-680122} |
| RD_032082804504_000 | computation | Reference Data From Materials Project: {formula:Li3Al(BO3)2,spaceGroup:P-1,id:mp-6097} |
| RD_032112055894_000 | computation | Reference Data From Materials Project: {formula:Li3V3(BO5)2,spaceGroup:P1,id:mp-770382} |
| RD_032471285047_000 | computation | Reference Data From Materials Project: {formula:ErNi4B,spaceGroup:P6/mmm,id:mp-12965} |
| RD_032739190800_000 | computation | Reference Data From Materials Project: {formula:ThCrB4,spaceGroup:Pmcb,id:mp-22528} |
| RD_032979074880_000 | computation | Reference Data From Materials Project: {formula:Pr2B2MoO9,spaceGroup:P-1,id:mp-566070} |
| RD_033155002336_000 | computation | Reference Data From Materials Project: {formula:Na4Al3Ge3B(HO3)4,spaceGroup:P-43n,id:mp-535042} |
| RD_033424375289_000 | computation | Reference Data From Materials Project: {formula:CeBPt2,spaceGroup:P6_222,id:mp-10468} |
| RD_033478433556_000 | computation | Reference Data From Materials Project: {formula:Co3B,spaceGroup:Pbnm,id:mp-20373} |
| RD_033609326293_000 | computation | Reference Data From Materials Project: {formula:Li5Mn8(BO3)8,spaceGroup:P1,id:mp-777508} |
| RD_034074821930_000 | computation | Reference Data From Materials Project: {formula:EuB4O7,spaceGroup:P2_1nm,id:mp-8109} |
| RD_034139968449_000 | computation | Reference Data From Materials Project: {formula:LiMnB2O5,spaceGroup:P2_1/c,id:mp-771303} |
| RD_034203074070_000 | computation | Reference Data From Materials Project: {formula:CaB2(HO)8,spaceGroup:P-1,id:mp-721875} |
| RD_034792078830_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-777974} |
| RD_034899762572_000 | computation | Reference Data From Materials Project: {formula:ReB,spaceGroup:I4_1/amd,id:mp-28893} |
| RD_034918623395_000 | computation | Reference Data From Materials Project: {formula:Li6V(BO3)3,spaceGroup:P2_1/c,id:mp-770782} |
| RD_035044487581_000 | computation | Reference Data From Materials Project: {formula:Ba3Y(BO3)3,spaceGroup:P6_3cm,id:mp-6310} |
| RD_035682412760_000 | computation | Reference Data From Materials Project: {formula:V3BO6,spaceGroup:Pnma,id:mp-770370} |
| RD_035715339450_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:Fmm2,id:mp-685145} |
| RD_035958520856_000 | computation | Reference Data From Materials Project: {formula:CaMgB6(HO)22,spaceGroup:C2/c,id:mp-720718} |
| RD_036121944887_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-774173} |
| RD_036406287592_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:Pbn2_1,id:mp-771071} |
| RD_036749785334_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-775268} |
| RD_036840244360_000 | computation | Reference Data From Materials Project: {formula:Ni20(SnB2)3,spaceGroup:Fm-3m,id:mp-29724} |
| RD_037036361464_000 | computation | Reference Data From Materials Project: {formula:RbBS2,spaceGroup:R-3c,id:mp-15013} |
| RD_037180832064_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764679} |
| RD_037211727295_000 | computation | BN 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': 0} |
| RD_037506181162_000 | computation | Reference Data From Materials Project: {formula:Ca3Ni7B2,spaceGroup:R-3m,id:mp-8308} |
| RD_038106757252_000 | computation | Reference Data From Materials Project: {formula:CoCu2(BO3)2,spaceGroup:P2_1/c,id:mp-620325} |
| RD_038262790723_000 | computation | Reference Data From Materials Project: {formula:Nd2Ni5B4,spaceGroup:C2/m,id:mp-31029} |
| RD_039337095370_000 | computation | Reference Data From Materials Project: {formula:Na3BO3,spaceGroup:P2_1/c,id:mp-30975} |
| RD_039725435557_000 | computation | BN in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_039763512023_000 | computation | Reference Data From Materials Project: {formula:Co3B7IO13,spaceGroup:F-43c,id:mp-25675} |
| RD_040120519351_000 | computation | Reference Data From Materials Project: {formula:SmNi2B2C,spaceGroup:I4/mmm,id:mp-9220} |
| RD_040499948436_000 | computation | Reference Data From Materials Project: {formula:Li3BiB4O9,spaceGroup:P2_1/m,id:mp-768715} |
| RD_040645595086_000 | computation | Reference Data From Materials Project: {formula:VB2,spaceGroup:P6/mmm,id:mp-1491} |
| RD_040726309456_000 | computation | Reference Data From Materials Project: {formula:Ba2BN2Cl,spaceGroup:I4_132,id:mp-568923} |
| RD_040787154048_000 | computation | Reference Data From Materials Project: {formula:La3BWO9,spaceGroup:P6_3,id:mp-614369} |
| RD_040883240678_000 | computation | Reference Data From Materials Project: {formula:Nd5Co21B4,spaceGroup:P6/mmm,id:mp-505807} |
| RD_041223521495_000 | computation | Reference Data From Materials Project: {formula:Lu3Ni7B2,spaceGroup:P6_3/mmc,id:mp-865190} |
| RD_041259487200_000 | computation | Reference Data From Materials Project: {formula:Li7Mn8(BO3)8,spaceGroup:P1,id:mp-779296} |
| RD_041364237900_000 | computation | Reference Data From Materials Project: {formula:Na2B5H5O12,spaceGroup:P-1,id:mp-720406} |
| RD_041437397744_000 | computation | Reference Data From Materials Project: {formula:CsB9O14,spaceGroup:P222_1,id:mp-680683} |
| RD_041636415445_000 | computation | Reference Data From Materials Project: {formula:Cs3Zr7BCl20,spaceGroup:R-3c,id:mp-567781} |
| RD_042467553617_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P-1,id:mp-780096} |
| RD_042613311199_000 | computation | Reference Data From Materials Project: {formula:Mg3Mn5(BO4)4,spaceGroup:P1,id:mp-770722} |
| RD_043068327448_000 | computation | Reference Data From Materials Project: {formula:Lu3B5O12,spaceGroup:Pncm,id:mp-554282} |
| RD_043071082433_000 | computation | Reference Data From Materials Project: {formula:CsAg2(B5O8)3,spaceGroup:P22_12_1,id:mp-679997} |
| RD_043143189668_000 | computation | Reference Data From Materials Project: {formula:CsFeBP2HO9,spaceGroup:P2_1/c,id:mp-761395} |
| RD_043361872541_000 | computation | Reference Data From Materials Project: {formula:K2NaBP2,spaceGroup:C2/m,id:mp-567836} |
| RD_043601882889_000 | computation | Reference Data From Materials Project: {formula:BAsPbO5,spaceGroup:P3_1,id:mp-22430} |
| RD_043736679417_000 | computation | Reference Data From Materials Project: {formula:MnBO3,spaceGroup:P-6,id:mp-510766} |
| RD_044964644093_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-850073} |
| RD_045731718801_000 | computation | Reference Data From Materials Project: {formula:TmNi2B2C,spaceGroup:I4/mmm,id:mp-6754} |
| RD_045887412049_000 | computation | Reference Data From Materials Project: {formula:LiB13C2,spaceGroup:Imm2,id:mp-638070} |
| RD_045939152005_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P-1,id:mp-853228} |
| RD_045943507307_000 | computation | Reference Data From Materials Project: {formula:CaBPO5,spaceGroup:P3_121,id:mp-6667} |
| RD_046052733439_000 | computation | Reference Data From Materials Project: {formula:Tb(CoB)2,spaceGroup:I4/mmm,id:mp-3893} |
| RD_047098028946_000 | computation | Reference Data From Materials Project: {formula:YCo(BO2)5,spaceGroup:P2_1/c,id:mp-19468} |
| RD_047128996516_000 | computation | Reference Data From Materials Project: {formula:CaB8H4O15,spaceGroup:P2_1,id:mp-23701} |
| RD_047853112878_000 | computation | Reference Data From Materials Project: {formula:NaAlBP2H3O10,spaceGroup:C2/c,id:mp-24646} |
| RD_048285031055_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:Pm,id:mp-850372} |
| RD_048295283237_000 | computation | Reference Data From Materials Project: {formula:Na2CuBSO7,spaceGroup:P2_1/m,id:mp-771122} |
| RD_048528982689_000 | computation | Reference Data From Materials Project: {formula:Sc3SnB,spaceGroup:Pm-3m,id:mp-10139} |
| RD_048638503885_000 | computation | Reference Data From Materials Project: {formula:Cs3B6H12Se4Br,spaceGroup:P6_3mc,id:mp-740711} |
| RD_048722416679_000 | computation | Reference Data From Materials Project: {formula:CaB2(H2O3)2,spaceGroup:P2_1/c,id:mp-773894} |