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_002451251298_000 | computation | Reference Data From Materials Project: {formula:Ac2CuSn,spaceGroup:Fm-3m,id:mp-865470} |
| RD_007346183473_000 | computation | Reference Data From Materials Project: {formula:AcCdRh2,spaceGroup:Fm-3m,id:mp-861880} |
| RD_009972762303_000 | computation | Reference Data From Materials Project: {formula:NaAcAu2,spaceGroup:Fm-3m,id:mp-864803} |
| RD_010337553401_000 | computation | Reference Data From Materials Project: {formula:AcMg,spaceGroup:Pm-3m,id:mp-866286} |
| RD_013619868302_000 | computation | Reference Data From Materials Project: {formula:AcGaTe2,spaceGroup:Fm-3m,id:mp-861884} |
| RD_016997892824_000 | computation | Reference Data From Materials Project: {formula:AcH3,spaceGroup:Fm-3m,id:mp-861605} |
| RD_021762337947_000 | computation | Reference Data From Materials Project: {formula:AcOF,spaceGroup:F-43m,id:mp-36526} |
| RD_024554207251_000 | computation | Reference Data From Materials Project: {formula:LiAc2Ge,spaceGroup:Fm-3m,id:mp-862667} |
| RD_030204545688_000 | computation | Reference Data From Materials Project: {formula:AcHg3,spaceGroup:P6_3/mmc,id:mp-862289} |
| RD_035195126643_000 | computation | Reference Data From Materials Project: {formula:AcZn3,spaceGroup:P6_3/mmc,id:mp-864809} |
| RD_041537353980_000 | computation | Reference Data From Materials Project: {formula:AcHgAu2,spaceGroup:Fm-3m,id:mp-861966} |
| RD_049424138084_000 | computation | Reference Data From Materials Project: {formula:Ac2SiPd,spaceGroup:Fm-3m,id:mp-865855} |
| RD_053006967160_000 | computation | Reference Data From Materials Project: {formula:Ac2O3,spaceGroup:P-3m1,id:mp-11107} |
| RD_053713860856_000 | computation | Reference Data From Materials Project: {formula:Ac2ZnGa,spaceGroup:Fm-3m,id:mp-865535} |
| RD_063808653942_000 | computation | Reference Data From Materials Project: {formula:AcAgHg2,spaceGroup:Fm-3m,id:mp-862873} |
| RD_070174930042_000 | computation | Reference Data From Materials Project: {formula:AcTe3,spaceGroup:I4/mmm,id:mp-865558} |
| RD_073297695861_000 | computation | Reference Data From Materials Project: {formula:Ac2ZnGe,spaceGroup:Fm-3m,id:mp-866018} |
| RD_073894761150_000 | computation | Reference Data From Materials Project: {formula:AcPbAu2,spaceGroup:Fm-3m,id:mp-867422} |
| RD_073954030730_000 | computation | Reference Data From Materials Project: {formula:Ac2CdSn,spaceGroup:Fm-3m,id:mp-862319} |
| RD_083539535082_000 | computation | Reference Data From Materials Project: {formula:Ac2AgIr,spaceGroup:Fm-3m,id:mp-861724} |
| RD_087928727185_000 | computation | Reference Data From Materials Project: {formula:YbAcZn2,spaceGroup:Fm-3m,id:mp-865953} |
| RD_092453392142_000 | computation | Reference Data From Materials Project: {formula:Ac,spaceGroup:Fm-3m,id:mp-10018} |
| RD_093008473219_000 | computation | Reference Data From Materials Project: {formula:AcSe3,spaceGroup:P6_3/mmc,id:mp-867800} |
| RD_112035024060_000 | computation | Reference Data From Materials Project: {formula:LiAc2Ru,spaceGroup:Fm-3m,id:mp-862686} |
| RD_112475531345_000 | computation | Reference Data From Materials Project: {formula:Ac2CuSn,spaceGroup:Fm-3m,id:mp-865470} |
| RD_117319026871_000 | computation | Reference Data From Materials Project: {formula:AcI3,spaceGroup:P6_3/mmc,id:mp-861867} |
| RD_137421467524_000 | computation | Reference Data From Materials Project: {formula:Li2AcIn,spaceGroup:Fm-3m,id:mp-865897} |
| RD_137599737356_000 | computation | Reference Data From Materials Project: {formula:AcTlTe2,spaceGroup:Fm-3m,id:mp-865028} |
| RD_137723119967_000 | computation | Reference Data From Materials Project: {formula:AcAg3,spaceGroup:P6_3/mmc,id:mp-865950} |
| RD_141462307371_000 | computation | Reference Data From Materials Project: {formula:AcSi3,spaceGroup:P6_3/mmc,id:mp-866222} |
| RD_143024256189_000 | computation | Reference Data From Materials Project: {formula:LiAc2Si,spaceGroup:Fm-3m,id:mp-861876} |
| RD_143649224271_000 | computation | Reference Data From Materials Project: {formula:Ac2ZnSi,spaceGroup:Fm-3m,id:mp-866289} |
| RD_147902534579_000 | computation | Reference Data From Materials Project: {formula:AcTlTe2,spaceGroup:Fm-3m,id:mp-865028} |
| RD_155646963199_000 | computation | Reference Data From Materials Project: {formula:Ac2SiAu,spaceGroup:Fm-3m,id:mp-862698} |
| RD_157167333086_000 | computation | Reference Data From Materials Project: {formula:AcTlAg2,spaceGroup:Fm-3m,id:mp-865958} |
| RD_157646745791_000 | computation | Reference Data From Materials Project: {formula:KAcTe2,spaceGroup:Fm-3m,id:mp-863710} |
| RD_172811201228_000 | computation | AcCl in AFLOW crystal prototype AB3_hP8_176_c_h (UCl3). 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_176964636390_000 | computation | Reference Data From Materials Project: {formula:AcAg,spaceGroup:Pm-3m,id:mp-866199} |
| RD_177378279323_000 | computation | Reference Data From Materials Project: {formula:LiAc2Ir,spaceGroup:Fm-3m,id:mp-862685} |
| RD_184988200458_000 | computation | Reference Data From Materials Project: {formula:CsAcTe2,spaceGroup:Fm-3m,id:mp-867341} |
| RD_187088980394_000 | computation | Reference Data From Materials Project: {formula:NaAcTe2,spaceGroup:Fm-3m,id:mp-865081} |
| RD_188719587093_000 | computation | Reference Data From Materials Project: {formula:Ac2HgGe,spaceGroup:Fm-3m,id:mp-861872} |
| RD_194231394399_000 | computation | Reference Data From Materials Project: {formula:Ac2GaCu,spaceGroup:Fm-3m,id:mp-862683} |
| RD_205653020054_000 | computation | Reference Data From Materials Project: {formula:SrAcHg2,spaceGroup:Fm-3m,id:mp-867925} |
| RD_208860554509_000 | computation | Reference Data From Materials Project: {formula:CaAcZn2,spaceGroup:Fm-3m,id:mp-864962} |
| RD_217189387746_000 | computation | Reference Data From Materials Project: {formula:AcFeO3,spaceGroup:Pm-3m,id:mp-864241} |
| RD_232142106492_000 | computation | Reference Data From Materials Project: {formula:AcGe3,spaceGroup:P6_3/mmc,id:mp-862665} |
| RD_234150365118_000 | computation | Reference Data From Materials Project: {formula:AcAg3,spaceGroup:P6_3/mmc,id:mp-865950} |
| RD_240688770195_000 | computation | Reference Data From Materials Project: {formula:AcTiO3,spaceGroup:Pm-3m,id:mp-865927} |
| RD_241741991768_000 | computation | Reference Data From Materials Project: {formula:SrAcHg2,spaceGroup:Fm-3m,id:mp-867925} |
| RD_244651372598_000 | computation | Reference Data From Materials Project: {formula:Ac2SiPd,spaceGroup:Fm-3m,id:mp-865855} |
| RD_246232259708_000 | computation | Reference Data From Materials Project: {formula:AcAgAu2,spaceGroup:Fm-3m,id:mp-862972} |
| RD_247377312961_000 | computation | Reference Data From Materials Project: {formula:Ac2CuIr,spaceGroup:Fm-3m,id:mp-861883} |
| RD_250995935750_000 | computation | Reference Data From Materials Project: {formula:AcGa3,spaceGroup:P6_3/mmc,id:mp-867815} |
| RD_264380605040_000 | computation | Reference Data From Materials Project: {formula:AcMg5,spaceGroup:P-62m,id:mp-864996} |
| RD_264652256366_000 | computation | Reference Data From Materials Project: {formula:YbAcZn2,spaceGroup:Fm-3m,id:mp-865953} |
| RD_265864527053_000 | computation | Ac in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_267884437355_000 | computation | Reference Data From Materials Project: {formula:AcSbAu2,spaceGroup:Fm-3m,id:mp-862894} |
| RD_271579929374_000 | computation | Reference Data From Materials Project: {formula:Ac2MgSn,spaceGroup:Fm-3m,id:mp-866103} |
| RD_282423840713_000 | computation | Reference Data From Materials Project: {formula:AcPbAu2,spaceGroup:Fm-3m,id:mp-867422} |
| RD_291104443357_000 | computation | Reference Data From Materials Project: {formula:AcBiAu2,spaceGroup:Fm-3m,id:mp-866016} |
| RD_294676859005_000 | computation | Reference Data From Materials Project: {formula:AcGe3,spaceGroup:P6_3/mmc,id:mp-862665} |
| RD_296552431609_000 | computation | Reference Data From Materials Project: {formula:AcCdAg2,spaceGroup:Fm-3m,id:mp-867338} |
| RD_300458595297_000 | computation | Reference Data From Materials Project: {formula:Ac2ZnSi,spaceGroup:Fm-3m,id:mp-866289} |
| RD_309455032731_000 | computation | Reference Data From Materials Project: {formula:AcInAu2,spaceGroup:Fm-3m,id:mp-862860} |
| RD_311657760280_000 | computation | Reference Data From Materials Project: {formula:LiAcTe2,spaceGroup:Fm-3m,id:mp-864755} |
| RD_317853997318_000 | computation | Reference Data From Materials Project: {formula:Ac2GePd,spaceGroup:Fm-3m,id:mp-867241} |
| RD_325124220369_000 | computation | Reference Data From Materials Project: {formula:AcHgAu2,spaceGroup:Fm-3m,id:mp-861966} |
| RD_327658651577_000 | computation | Reference Data From Materials Project: {formula:AcN,spaceGroup:P6_3mc,id:mp-866056} |
| RD_342934103716_000 | computation | Reference Data From Materials Project: {formula:Ac2CdSn,spaceGroup:Fm-3m,id:mp-862319} |
| RD_346916681472_000 | computation | Reference Data From Materials Project: {formula:AcMgHg2,spaceGroup:Fm-3m,id:mp-866225} |
| RD_348181071291_000 | computation | Reference Data From Materials Project: {formula:NaAcHg2,spaceGroup:Fm-3m,id:mp-864806} |
| RD_352707385361_000 | computation | Reference Data From Materials Project: {formula:AcCl3,spaceGroup:P6_3/m,id:mp-27971} |
| RD_352819262546_000 | computation | Reference Data From Materials Project: {formula:YbAcHg2,spaceGroup:Fm-3m,id:mp-866203} |
| RD_361148476452_000 | computation | Reference Data From Materials Project: {formula:CsAcTe2,spaceGroup:Fm-3m,id:mp-867341} |
| RD_365433550020_000 | computation | Reference Data From Materials Project: {formula:AcN,spaceGroup:P6_3mc,id:mp-866056} |
| RD_367276807079_000 | computation | Reference Data From Materials Project: {formula:AcMg5,spaceGroup:P-62m,id:mp-864996} |
| RD_372338129816_000 | computation | Reference Data From Materials Project: {formula:AcIn3,spaceGroup:P6_3/mmc,id:mp-867297} |
| RD_377333037671_000 | computation | Reference Data From Materials Project: {formula:AcGa3,spaceGroup:P6_3/mmc,id:mp-867815} |
| RD_377762185777_000 | computation | Reference Data From Materials Project: {formula:AcH2,spaceGroup:Fm-3m,id:mp-24147} |
| RD_386335406545_000 | computation | Reference Data From Materials Project: {formula:AcAu3,spaceGroup:P6_3/mmc,id:mp-867838} |
| RD_386904689791_000 | computation | Reference Data From Materials Project: {formula:RbAcTe2,spaceGroup:Fm-3m,id:mp-862797} |
| RD_392209097243_000 | computation | Reference Data From Materials Project: {formula:AcOF,spaceGroup:F-43m,id:mp-36526} |
| RD_392742727254_000 | computation | Reference Data From Materials Project: {formula:AcCd3,spaceGroup:P6_3/mmc,id:mp-867890} |
| RD_397117461571_000 | computation | Reference Data From Materials Project: {formula:Ac3Sn,spaceGroup:Pm-3m,id:mp-861939} |
| RD_404250089683_000 | computation | Reference Data From Materials Project: {formula:CaAcZn2,spaceGroup:Fm-3m,id:mp-864962} |
| RD_406607690461_000 | computation | Reference Data From Materials Project: {formula:Ac2SiCu,spaceGroup:Fm-3m,id:mp-867122} |
| RD_414752366059_000 | computation | Reference Data From Materials Project: {formula:LiAc2Si,spaceGroup:Fm-3m,id:mp-861876} |
| RD_424711537834_000 | computation | Reference Data From Materials Project: {formula:AcInTe2,spaceGroup:Fm-3m,id:mp-867112} |
| RD_426537052231_000 | computation | AcO in AFLOW crystal prototype A2B3_hP5_164_d_ad (La2O3). 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_427751623066_000 | computation | Reference Data From Materials Project: {formula:Ac2MgSn,spaceGroup:Fm-3m,id:mp-866103} |
| RD_431703043477_000 | computation | Reference Data From Materials Project: {formula:Ac3Sn,spaceGroup:Pm-3m,id:mp-861939} |
| RD_431922884323_000 | computation | Reference Data From Materials Project: {formula:NaAcTl2,spaceGroup:Fm-3m,id:mp-865090} |
| RD_437773589873_000 | computation | Reference Data From Materials Project: {formula:AcH2,spaceGroup:Fm-3m,id:mp-24147} |
| RD_438178216547_000 | computation | Reference Data From Materials Project: {formula:Ac2AgIr,spaceGroup:Fm-3m,id:mp-861724} |
| RD_438882376717_000 | computation | Reference Data From Materials Project: {formula:AcZnAu2,spaceGroup:Fm-3m,id:mp-861734} |
| RD_441275795577_000 | computation | Reference Data From Materials Project: {formula:Ac,spaceGroup:Fm-3m,id:mp-10018} |
| RD_442882392699_000 | computation | Reference Data From Materials Project: {formula:AcSe3,spaceGroup:P6_3/mmc,id:mp-867800} |
| RD_446900108580_000 | computation | Reference Data From Materials Project: {formula:CaAcHg2,spaceGroup:Fm-3m,id:mp-865173} |
| RD_452267500175_000 | computation | Reference Data From Materials Project: {formula:Ac2IrAu,spaceGroup:Fm-3m,id:mp-865951} |
| RD_474354783050_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ac, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-10018) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_484751489419_000 | computation | Reference Data From Materials Project: {formula:AcMgCd2,spaceGroup:Fm-3m,id:mp-865979} |
| RD_484816175822_000 | computation | Reference Data From Materials Project: {formula:Ac2CuIr,spaceGroup:Fm-3m,id:mp-861883} |
| RD_490398639818_000 | computation | Reference Data From Materials Project: {formula:AcSi3,spaceGroup:P6_3/mmc,id:mp-866222} |
| RD_499482773792_000 | computation | Reference Data From Materials Project: {formula:AcCdRh2,spaceGroup:Fm-3m,id:mp-861880} |
| RD_526741290902_000 | computation | Reference Data From Materials Project: {formula:YbAcHg2,spaceGroup:Fm-3m,id:mp-866203} |
| RD_527069025438_000 | computation | Reference Data From Materials Project: {formula:AcInHg2,spaceGroup:Fm-3m,id:mp-867321} |
| RD_529914541525_000 | computation | Reference Data From Materials Project: {formula:Ac2NiIr,spaceGroup:Fm-3m,id:mp-862849} |
| RD_532667009076_000 | computation | Reference Data From Materials Project: {formula:AcMgTl2,spaceGroup:Fm-3m,id:mp-861735} |
| RD_534919725966_000 | computation | Reference Data From Materials Project: {formula:Ac2ZnGa,spaceGroup:Fm-3m,id:mp-865535} |
| RD_542725184913_000 | computation | Reference Data From Materials Project: {formula:LiAc2Ga,spaceGroup:Fm-3m,id:mp-862613} |
| RD_545073234357_000 | computation | Reference Data From Materials Project: {formula:AcAl3,spaceGroup:P6_3/mmc,id:mp-862617} |
| RD_551438269413_000 | computation | Reference Data From Materials Project: {formula:Ac2SnHg,spaceGroup:Fm-3m,id:mp-864795} |
| RD_554108247741_000 | computation | Reference Data From Materials Project: {formula:Ac2HgGe,spaceGroup:Fm-3m,id:mp-861872} |
| RD_556409858093_000 | computation | Reference Data From Materials Project: {formula:AcAgAu2,spaceGroup:Fm-3m,id:mp-862972} |
| RD_574628844980_000 | computation | Reference Data From Materials Project: {formula:NaAcAu2,spaceGroup:Fm-3m,id:mp-864803} |
| RD_578784518628_000 | computation | Reference Data From Materials Project: {formula:Ac2CuGe,spaceGroup:Fm-3m,id:mp-862786} |
| RD_581373198191_000 | computation | Reference Data From Materials Project: {formula:Li2AcSn,spaceGroup:Fm-3m,id:mp-865913} |
| RD_584511203496_000 | computation | Reference Data From Materials Project: {formula:AcGaTe2,spaceGroup:Fm-3m,id:mp-861884} |
| RD_594056241745_000 | computation | Reference Data From Materials Project: {formula:AcSnAu2,spaceGroup:Fm-3m,id:mp-865957} |
| RD_602113459822_000 | computation | AcBr in AFLOW crystal prototype AB3_hP8_176_c_h (UCl3). 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_602280684700_000 | computation | Reference Data From Materials Project: {formula:AcCuO3,spaceGroup:Pm-3m,id:mp-864606} |
| RD_609725011155_000 | computation | Reference Data From Materials Project: {formula:LiAc2Ir,spaceGroup:Fm-3m,id:mp-862685} |
| RD_610208447056_000 | computation | Reference Data From Materials Project: {formula:AcCrO3,spaceGroup:Pm-3m,id:mp-866647} |
| RD_617329420005_000 | computation | Reference Data From Materials Project: {formula:AcCdHg2,spaceGroup:Fm-3m,id:mp-864644} |
| RD_628007614101_000 | computation | Reference Data From Materials Project: {formula:Ac,spaceGroup:P6_3/mmc,id:mp-862690} |
| RD_632504044308_000 | computation | Reference Data From Materials Project: {formula:Ac2SiAu,spaceGroup:Fm-3m,id:mp-862698} |
| RD_636944864979_000 | computation | Reference Data From Materials Project: {formula:AcClO,spaceGroup:P4/nmm,id:mp-30273} |
| RD_638380117443_000 | computation | Reference Data From Materials Project: {formula:Ac2GaCu,spaceGroup:Fm-3m,id:mp-862683} |
| RD_650246648430_000 | computation | Reference Data From Materials Project: {formula:AcAl3,spaceGroup:P6_3/mmc,id:mp-862617} |
| RD_655684994238_000 | computation | Reference Data From Materials Project: {formula:AcTlAu2,spaceGroup:Fm-3m,id:mp-865952} |
| RD_666234661632_000 | computation | Reference Data From Materials Project: {formula:AcSnAu2,spaceGroup:Fm-3m,id:mp-865957} |
| RD_675453131895_000 | computation | Reference Data From Materials Project: {formula:AcZn3,spaceGroup:P6_3/mmc,id:mp-864809} |
| RD_676827564265_000 | computation | Reference Data From Materials Project: {formula:Ac2IrPd,spaceGroup:Fm-3m,id:mp-866107} |
| RD_679075473965_000 | computation | Reference Data From Materials Project: {formula:AcBrO,spaceGroup:P4/nmm,id:mp-30274} |
| RD_684473355367_000 | computation | Reference Data From Materials Project: {formula:AcAg,spaceGroup:Pm-3m,id:mp-866199} |
| RD_691149185423_000 | computation | Reference Data From Materials Project: {formula:RbAcTe2,spaceGroup:Fm-3m,id:mp-862797} |
| RD_692129406782_000 | computation | Reference Data From Materials Project: {formula:LiAc2Ru,spaceGroup:Fm-3m,id:mp-862686} |
| RD_694466851184_000 | computation | Reference Data From Materials Project: {formula:Li2AcSn,spaceGroup:Fm-3m,id:mp-865913} |
| RD_698386932735_000 | computation | Reference Data From Materials Project: {formula:LiAcTl2,spaceGroup:Fm-3m,id:mp-862549} |
| RD_713157788546_000 | computation | Reference Data From Materials Project: {formula:AcInHg2,spaceGroup:Fm-3m,id:mp-867321} |
| RD_713650168433_000 | computation | Reference Data From Materials Project: {formula:Ac2IrPd,spaceGroup:Fm-3m,id:mp-866107} |
| RD_716716540199_000 | computation | Reference Data From Materials Project: {formula:Ac2CuGe,spaceGroup:Fm-3m,id:mp-862786} |
| RD_726158593397_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ac, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-10018) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_728618298819_000 | computation | Reference Data From Materials Project: {formula:AcCdHg2,spaceGroup:Fm-3m,id:mp-864644} |
| RD_733968726037_000 | computation | Reference Data From Materials Project: {formula:AcBr3,spaceGroup:P6_3/m,id:mp-27972} |
| RD_748640588635_000 | computation | Reference Data From Materials Project: {formula:AcFeO3,spaceGroup:Pm-3m,id:mp-864241} |
| RD_749321039622_000 | computation | Reference Data From Materials Project: {formula:AcAg2Sn,spaceGroup:Fm-3m,id:mp-862890} |
| RD_750533304288_000 | computation | Reference Data From Materials Project: {formula:AcMgTl2,spaceGroup:Fm-3m,id:mp-861735} |
| RD_763921693830_000 | computation | Reference Data From Materials Project: {formula:AcAg2Sn,spaceGroup:Fm-3m,id:mp-862890} |
| RD_768429230577_000 | computation | Reference Data From Materials Project: {formula:Ac,spaceGroup:P6_3/mmc,id:mp-862690} |
| RD_769253397722_000 | computation | Reference Data From Materials Project: {formula:LiAcTl2,spaceGroup:Fm-3m,id:mp-862549} |
| RD_790180540662_000 | computation | Reference Data From Materials Project: {formula:AcZnAu2,spaceGroup:Fm-3m,id:mp-861734} |
| RD_790804080929_000 | computation | Reference Data From Materials Project: {formula:Ac2ZnIr,spaceGroup:Fm-3m,id:mp-865398} |
| RD_792157888196_000 | computation | Reference Data From Materials Project: {formula:AcInAu2,spaceGroup:Fm-3m,id:mp-862860} |
| RD_793378652606_000 | computation | Reference Data From Materials Project: {formula:Ac2GePd,spaceGroup:Fm-3m,id:mp-867241} |
| RD_800426087678_000 | computation | Reference Data From Materials Project: {formula:Ac2S3,spaceGroup:I-42d,id:mp-32800} |
| RD_803501387690_000 | computation | Reference Data From Materials Project: {formula:LiAcTe2,spaceGroup:Fm-3m,id:mp-864755} |
| RD_804895632693_000 | computation | Reference Data From Materials Project: {formula:AcTlAg2,spaceGroup:Fm-3m,id:mp-865958} |
| RD_812508080312_000 | computation | Reference Data From Materials Project: {formula:Li2AcIn,spaceGroup:Fm-3m,id:mp-865897} |
| RD_814315308904_000 | computation | Reference Data From Materials Project: {formula:Li2AcPb,spaceGroup:Fm-3m,id:mp-865915} |
| RD_820508613053_000 | computation | Reference Data From Materials Project: {formula:AcMg,spaceGroup:Pm-3m,id:mp-866286} |
| RD_821358995290_000 | computation | Reference Data From Materials Project: {formula:AcAgHg2,spaceGroup:Fm-3m,id:mp-862873} |
| RD_828972144379_000 | computation | Reference Data From Materials Project: {formula:NaAcTl2,spaceGroup:Fm-3m,id:mp-865090} |
| RD_832909722162_000 | computation | Reference Data From Materials Project: {formula:AcI3,spaceGroup:P6_3/mmc,id:mp-861867} |
| RD_859182018954_000 | computation | Reference Data From Materials Project: {formula:AcMgCd2,spaceGroup:Fm-3m,id:mp-865979} |
| RD_870611621023_000 | computation | Reference Data From Materials Project: {formula:AcCd3,spaceGroup:P6_3/mmc,id:mp-867890} |
| RD_871193844912_000 | computation | Reference Data From Materials Project: {formula:AcH3,spaceGroup:Fm-3m,id:mp-861605} |
| RD_878979442614_000 | computation | Reference Data From Materials Project: {formula:AcBiAu2,spaceGroup:Fm-3m,id:mp-866016} |
| RD_880151899749_000 | computation | AcH in AFLOW crystal prototype AB2_cF12_225_a_c (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': 0} |
| RD_880453123836_000 | computation | Reference Data From Materials Project: {formula:CaAcHg2,spaceGroup:Fm-3m,id:mp-865173} |
| RD_885445926450_000 | computation | Reference Data From Materials Project: {formula:AcCuO3,spaceGroup:Pm-3m,id:mp-864606} |
| RD_885569154685_000 | computation | Reference Data From Materials Project: {formula:AcBr3,spaceGroup:P6_3/m,id:mp-27972} |
| RD_890974788457_000 | computation | Reference Data From Materials Project: {formula:AcHg3,spaceGroup:P6_3/mmc,id:mp-862289} |
| RD_892455499907_000 | computation | Reference Data From Materials Project: {formula:LiAc2Ga,spaceGroup:Fm-3m,id:mp-862613} |
| RD_892807662185_000 | computation | Reference Data From Materials Project: {formula:Ac2IrAu,spaceGroup:Fm-3m,id:mp-865951} |
| RD_898356931089_000 | computation | Reference Data From Materials Project: {formula:AcMgHg2,spaceGroup:Fm-3m,id:mp-866225} |
| RD_904494948831_000 | computation | Reference Data From Materials Project: {formula:NaAcTe2,spaceGroup:Fm-3m,id:mp-865081} |
| RD_920460594744_000 | computation | Reference Data From Materials Project: {formula:Ac2NiIr,spaceGroup:Fm-3m,id:mp-862849} |
| RD_929379608042_000 | computation | Reference Data From Materials Project: {formula:Ac2O3,spaceGroup:P-3m1,id:mp-11107} |
| RD_936482389818_000 | computation | Reference Data From Materials Project: {formula:Ac2SiCu,spaceGroup:Fm-3m,id:mp-867122} |
| RD_942958152174_000 | computation | Reference Data From Materials Project: {formula:Ac2ZnGe,spaceGroup:Fm-3m,id:mp-866018} |
| RD_944751792178_000 | computation | Reference Data From Materials Project: {formula:NaAcHg2,spaceGroup:Fm-3m,id:mp-864806} |
| RD_950401730619_000 | computation | Reference Data From Materials Project: {formula:AcSbAu2,spaceGroup:Fm-3m,id:mp-862894} |
| RD_951055222889_000 | computation | Reference Data From Materials Project: {formula:AcAgTe2,spaceGroup:Fm-3m,id:mp-867311} |
| RD_954186890061_000 | computation | Reference Data From Materials Project: {formula:Ac2ZnIr,spaceGroup:Fm-3m,id:mp-865398} |
| RD_960041651963_000 | computation | Reference Data From Materials Project: {formula:AcCrO3,spaceGroup:Pm-3m,id:mp-866647} |
| RD_971608421374_000 | computation | Reference Data From Materials Project: {formula:AcCl3,spaceGroup:P6_3/m,id:mp-27971} |
| RD_973651480435_000 | computation | Reference Data From Materials Project: {formula:AcInTe2,spaceGroup:Fm-3m,id:mp-867112} |
| RD_974736674675_000 | computation | Reference Data From Materials Project: {formula:AcCdAg2,spaceGroup:Fm-3m,id:mp-867338} |
| RD_975693130970_000 | computation | Reference Data From Materials Project: {formula:AcAgTe2,spaceGroup:Fm-3m,id:mp-867311} |
| RD_975867500329_000 | computation | Reference Data From Materials Project: {formula:LiAc2Ge,spaceGroup:Fm-3m,id:mp-862667} |
| RD_976395009813_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_977779609608_000 | computation | Reference Data From Materials Project: {formula:AcIn3,spaceGroup:P6_3/mmc,id:mp-867297} |
| RD_981292299021_000 | computation | Reference Data From Materials Project: {formula:AcTiO3,spaceGroup:Pm-3m,id:mp-865927} |
| RD_986575636355_000 | computation | Reference Data From Materials Project: {formula:Ac2SnHg,spaceGroup:Fm-3m,id:mp-864795} |
| RD_992414087158_000 | computation | Reference Data From Materials Project: {formula:Li2AcPb,spaceGroup:Fm-3m,id:mp-865915} |
| 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_999641413529_000 | computation | Reference Data From Materials Project: {formula:KAcTe2,spaceGroup:Fm-3m,id:mp-863710} |
| Reference Data | Data Method | Description |
|---|---|---|
| RD_000114617500_000 | computation | Reference Data From Materials Project: {formula:RbAg5Se3,spaceGroup:P4/nbm,id:mp-29685} |
| RD_001298032490_000 | computation | AgOTe in AFLOW crystal prototype AB3C_mP40_14_2e_6e_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_001320905832_000 | computation | Reference Data From Materials Project: {formula:YAgSn,spaceGroup:P6_3mc,id:mp-5729} |
| RD_001634348374_000 | computation | AgNdPb in AFLOW crystal prototype ABC_hP6_186_b_a_b (metallic; Au1Pr1Sn1, ICSD #54997). 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_002224678603_000 | computation | AgCaP in AFLOW crystal prototype ABC_hP9_189_f_g_bc (metallic; Mg1Sn1Yb1, ICSD #54344). 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_002342457835_000 | computation | AgSbTe in AFLOW crystal prototype ABC2_hR4_166_a_b_c (rocksalt derivative (Y. Lederer)). 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_003067805137_000 | computation | Reference Data From Materials Project: {formula:Y2AgIr,spaceGroup:Fm-3m,id:mp-866160} |
| RD_003316666039_000 | computation | AgCuYb in AFLOW crystal prototype AB4C_cF24_216_a_e_c (metallic; In1Ni4Zr1, ICSD #59462). 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_003349557903_000 | computation | AgLiSn in AFLOW crystal prototype A2BC_cF16_225_c_a_b (Heusler). 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_004018856157_000 | computation | Reference Data From Materials Project: {formula:Ag2O,spaceGroup:P-3m1,id:mp-7711} |
| RD_004307041044_000 | computation | Reference Data From Materials Project: {formula:Ag4Te(NO3)2,spaceGroup:P2_13,id:mp-618375} |
| RD_004513117127_000 | computation | AgCeSb in AFLOW crystal prototype ABC2_tP8_129_b_c_ac (metallic; Bi2La1Li1, ICSD #415728). 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_004820870831_000 | computation | AgMg 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_005159003804_000 | computation | Reference Data From Materials Project: {formula:CsAg3Se2,spaceGroup:C2/m,id:mp-16234} |
| RD_005413829157_000 | computation | AgRbSSb in AFLOW crystal prototype A2BC4D_hP24_154_c_a_2c_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_005678274591_000 | computation | Reference Data From Materials Project: {formula:ScInAg2,spaceGroup:Fm-3m,id:mp-30347} |
| RD_006525163063_000 | computation | AgAlS in AFLOW crystal prototype ABC2_tI16_122_a_b_d (metal carbo-nitride; C1Mg1N2, ICSD #44110). 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_006838603323_000 | computation | AgI 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': 2} |
| RD_007290574795_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_007316791875_000 | computation | Reference Data From Materials Project: {formula:La3AgGeS7,spaceGroup:P6_3,id:mp-617632} |
| RD_007380242016_000 | computation | Reference Data From Materials Project: {formula:Cr2AgBiO8,spaceGroup:I-4,id:mp-565669} |
| RD_007512979314_000 | computation | AgCoOSb in AFLOW crystal prototype A3B2C6D_hP36_151_3a_2b_3c_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_007787847093_000 | computation | Reference Data From Materials Project: {formula:VCdAgO4,spaceGroup:Pcmn,id:mp-562207} |
| RD_007960378338_000 | computation | Reference Data From Materials Project: {formula:Sc2AgHg,spaceGroup:Fm-3m,id:mp-862702} |
| RD_008179202376_000 | computation | Reference Data From Materials Project: {formula:Cr2Ag2O7,spaceGroup:P-1,id:mp-627414} |
| RD_008469057396_000 | computation | Reference Data From Materials Project: {formula:La5AgS8,spaceGroup:I-4,id:mp-37478} |
| RD_008534463249_000 | computation | AgN in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). 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_009459773224_000 | computation | AgAsCsS in AFLOW crystal prototype A2BCD3_mP28_14_2e_e_e_3e. 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_009611148687_000 | computation | Reference Data From Materials Project: {formula:AlAgB,spaceGroup:F-43m,id:mp-631568} |
| RD_010237178850_000 | computation | Reference Data From Materials Project: {formula:MgAg,spaceGroup:Pm-3m,id:mp-2696} |
| RD_010266913262_000 | computation | Reference Data From Materials Project: {formula:YbSiAg,spaceGroup:P-62m,id:mp-16241} |
| RD_010492603632_000 | computation | Reference Data From Materials Project: {formula:Ag15P4S16Cl3,spaceGroup:I-43d,id:mp-560328} |
| RD_010536849607_000 | computation | AgPt 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_010947090794_000 | computation | Reference Data From Materials Project: {formula:RbUAgS3,spaceGroup:Cmcm,id:mp-13350} |
| RD_010965985021_000 | computation | Reference Data From Materials Project: {formula:NdAgAs2,spaceGroup:P4/nmm,id:mp-10816} |
| RD_011060806617_000 | computation | Reference Data From Materials Project: {formula:Sc2AgAu,spaceGroup:Fm-3m,id:mp-862703} |
| RD_011278422140_000 | computation | Reference Data From Materials Project: {formula:PmAg3,spaceGroup:Fm-3m,id:mp-862878} |
| RD_012011442781_000 | computation | AgDyTe in AFLOW crystal prototype ABC2_tP8_113_a_c_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_012174908242_000 | computation | AgBrW in AFLOW crystal prototype AB7C3_mP44_14_e_7e_3e. 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_012506804399_000 | computation | Reference Data From Materials Project: {formula:Ba2Si3Ag,spaceGroup:Fddd,id:mp-9867} |
| RD_012969629182_000 | computation | Reference Data From Materials Project: {formula:Pr5AgS8,spaceGroup:I-4,id:mp-34486} |
| RD_013089514815_000 | computation | Reference Data From Materials Project: {formula:Na2AgSb,spaceGroup:Cmcm,id:mp-7392} |
| RD_013448127020_000 | computation | AgNbO in AFLOW crystal prototype A2B4C11_mC68_9_2a_4a_11a. 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_013608589729_000 | computation | Reference Data From Materials Project: {formula:GaAgTe2,spaceGroup:I-42d,id:mp-4899} |
| RD_013710430036_000 | computation | Reference Data From Materials Project: {formula:DyAgPb,spaceGroup:P6_3mc,id:mp-510687} |
| RD_013759296556_000 | computation | Reference Data From Materials Project: {formula:CdAg3,spaceGroup:P6_3/mmc,id:mp-865910} |
| RD_014383220934_000 | computation | Reference Data From Materials Project: {formula:Mg17Al11Ag,spaceGroup:Cm,id:mp-865489} |
| RD_014547210611_000 | computation | AgAlSc in AFLOW crystal prototype A2BC_cF16_225_c_a_b (Heusler). 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_014851699999_000 | computation | AgSSb in AFLOW crystal prototype AB2C_mC32_15_ce_2f_f. 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_014859343660_000 | computation | Reference Data From Materials Project: {formula:NdMgAg2,spaceGroup:Fm-3m,id:mp-866074} |
| RD_015109116830_000 | computation | Reference Data From Materials Project: {formula:Ag3H13SeN4O5,spaceGroup:P2_12_12_1,id:mp-695941} |
| RD_015239079198_000 | computation | AgHgIS in AFLOW crystal prototype ABCD_oP16_51_i_bf_2e_j. 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_015525864034_000 | computation | Reference Data From Materials Project: {formula:Ag3F8,spaceGroup:P2_1/c,id:mp-562412} |
| RD_015596848373_000 | computation | Reference Data From Materials Project: {formula:Sr3Ag2,spaceGroup:R-3,id:mp-30357} |
| RD_015671489179_000 | computation | AgOPV in AFLOW crystal prototype A2B6CD_mC40_12_j_4ij_i_i. 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_016518226318_000 | computation | AgCrSe in AFLOW crystal prototype ABC2_hR4_160_a_a_2a. 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_016621236744_000 | computation | Reference Data From Materials Project: {formula:KAg(PO3)2,spaceGroup:P2_1/c,id:mp-557874} |
| RD_016660070274_000 | computation | Reference Data From Materials Project: {formula:Ag25(BiO6)3,spaceGroup:P-3,id:mp-28729} |
| RD_017332310831_000 | computation | Reference Data From Materials Project: {formula:FeAgTe2,spaceGroup:P-3m1,id:mp-29659} |
| RD_017438840548_000 | computation | Reference Data From Materials Project: {formula:InAgTe2,spaceGroup:P3m1,id:mp-675371} |
| RD_017468431806_000 | computation | AgCe in AFLOW crystal prototype AB_tP2_123_a_d (metal-nitride; N1Pr1, ICSD #168645). 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_017602641644_000 | computation | AgNiO in AFLOW crystal prototype A2BC2_mC10_12_i_a_i (metal-oxide; Ag2Ni1O2, ICSD #172559). 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_017756291995_000 | computation | AgIn in AFLOW crystal prototype AB2_tI12_140_a_h (Khatyrkite). 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_017769993683_000 | computation | Reference Data From Materials Project: {formula:Ag2S,spaceGroup:C2/m,id:mp-32884} |
| RD_018208518796_000 | computation | Reference Data From Materials Project: {formula:La3AgSnSe7,spaceGroup:P6_3,id:mp-17155} |
| RD_018523102545_000 | computation | AgTeTl in AFLOW crystal prototype AB2C_tI8_119_c_e_a. 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_018560915645_000 | computation | Reference Data From Materials Project: {formula:Ag3AuSe2,spaceGroup:I4_132,id:mp-3172} |
| RD_018868812839_000 | computation | AgCdGeS in AFLOW crystal prototype A2BCD4_oP16_31_b_a_a_2ab. 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_019516951731_000 | computation | AgOPd in AFLOW crystal prototype A2B2C_oI10_71_e_f_a (metal-oxide; Ag2O2Pd1, ICSD #51498). 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_019874084785_000 | computation | Reference Data From Materials Project: {formula:AgIO3,spaceGroup:P2_1ca,id:mp-27384} |
| RD_020348371462_000 | computation | Reference Data From Materials Project: {formula:SrAg,spaceGroup:Pmcn,id:mp-30355} |
| RD_020617022440_000 | computation | Reference Data From Materials Project: {formula:Ag4Te(ClO3)2,spaceGroup:P2_13,id:mp-738646} |
| RD_022202418579_000 | computation | AgNd in AFLOW crystal prototype A2B_hP3_191_c_b (metal-boride; B2Nb1, ICSD #614887). 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_022487622881_000 | computation | AgOPb in AFLOW crystal prototype A5B6C2_hP13_162_ef_k_d (metal-oxide; Ag5O6Pb2, ICSD #40058). 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_023322273750_000 | computation | Reference Data From Materials Project: {formula:Ca2Si3Ag,spaceGroup:Fmmm,id:mp-29570} |
| RD_023324058025_000 | computation | AgAlPr in AFLOW crystal prototype AB2C_hR12_166_ac_h_bc (metallic; Ag1Al2Pr1, ICSD #604688). 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_023528012429_000 | computation | AgCFHOS in AFLOW crystal prototype AB7C4D9E4F2_aP54_2_i_7i_4i_9i_4i_2i. 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_024311034836_000 | computation | AgAlS in AFLOW crystal prototype ABC2_hP4_156_a_b_ac. 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_024461899441_000 | computation | AgGeP in AFLOW crystal prototype A3B5C6_cI56_217_e_cd_g. 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_024611907630_000 | computation | Reference Data From Materials Project: {formula:LiAg2Ge,spaceGroup:Fm-3m,id:mp-9472} |
| RD_024645471463_000 | computation | Reference Data From Materials Project: {formula:Ag10Te4Br3,spaceGroup:Ccm2_1,id:mp-568386} |
| RD_024739385093_000 | computation | Reference Data From Materials Project: {formula:ErAgSn,spaceGroup:P-62m,id:mp-13265} |
| RD_025037524001_000 | computation | Reference Data From Materials Project: {formula:ZrAgB,spaceGroup:F-43m,id:mp-961701} |
| RD_025239277926_000 | computation | Reference Data From Materials Project: {formula:AgGeO3,spaceGroup:P2_12_12,id:mp-779706} |
| RD_025444837498_000 | computation | AgSr in AFLOW crystal prototype A3B7_hP20_186_c_b2c. 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_026033358710_000 | computation | Reference Data From Materials Project: {formula:Ag7(PbO3)3,spaceGroup:C2/m,id:mp-757612} |
| RD_026104958338_000 | computation | AgS in AFLOW crystal prototype A2B_mP12_14_2e_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_026795948199_000 | computation | AgC in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_027822671513_000 | computation | AgNO in AFLOW crystal prototype ABC3_hR10_161_a_a_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_028066843101_000 | computation | Reference Data From Materials Project: {formula:ErAg(PSe3)2,spaceGroup:P-31c,id:mp-13384} |
| RD_028413671301_000 | computation | Reference Data From Materials Project: {formula:TmAgSn,spaceGroup:P6_3mc,id:mp-6917} |
| RD_029208285839_000 | computation | AgBiCrO in AFLOW crystal prototype ABC2D8_tI24_82_a_c_bd_2g. 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_029278363664_000 | computation | Reference Data From Materials Project: {formula:Pr2AgRu,spaceGroup:Fm-3m,id:mp-861481} |
| RD_029295894684_000 | computation | AgCl in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). 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_029385079489_000 | computation | Reference Data From Materials Project: {formula:AgHg3As2Cl3,spaceGroup:C2/c,id:mp-567890} |
| RD_029594441746_000 | computation | Reference Data From Materials Project: {formula:AgRuO3,spaceGroup:Fd-3m,id:mp-776168} |
| RD_029839876955_000 | computation | AgCF in AFLOW crystal prototype A5BC4_tP40_81_2g4h_h_4h. 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_029850047323_000 | computation | AgKSb in AFLOW crystal prototype AB2C_oC16_63_a_g_c (metallic; Au1Bi1Na2, ICSD #261788). 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_030644555113_000 | computation | Reference Data From Materials Project: {formula:RbAgSe4,spaceGroup:P2_12_12_1,id:mp-18585} |
| RD_030646890407_000 | computation | Reference Data From Materials Project: {formula:LaMgAg2,spaceGroup:Fm-3m,id:mp-867914} |
| RD_030976468708_000 | computation | Reference Data From Materials Project: {formula:Ag3PO4,spaceGroup:P-43n,id:mp-4198} |
| RD_031072400986_000 | computation | Reference Data From Materials Project: {formula:AgH12C6N5O3,spaceGroup:P2_1cn,id:mp-560619} |
| RD_031688518528_000 | computation | AgFeOV in AFLOW crystal prototype ABC7D2_aP22_2_i_i_7i_2i. 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_031707939778_000 | computation | AgAsS in AFLOW crystal prototype A3BC3_mC56_15_3f_f_3f. 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_032231304063_000 | computation | AgCNNa in AFLOW crystal prototype AB2C2D_mC24_15_a_f_f_e (quaternary metal-carbo-nitride prototype; Ag1C2N2Na1, ICSD #65697). 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_032236301424_000 | computation | Reference Data From Materials Project: {formula:PrAgHg2,spaceGroup:Fm-3m,id:mp-861988} |
| RD_032412926243_000 | computation | Reference Data From Materials Project: {formula:AgH8C7S2O2F7,spaceGroup:P2_1ab,id:mp-605676} |
| RD_032930408602_000 | computation | Reference Data From Materials Project: {formula:KAg5S3,spaceGroup:P-62c,id:mp-28468} |
| RD_033020519103_000 | computation | Reference Data From Materials Project: {formula:NaAgO2,spaceGroup:C2/m,id:mp-754326} |
| RD_033376102408_000 | computation | Reference Data From Materials Project: {formula:Ag2SO3,spaceGroup:P2_1/c,id:mp-30982} |
| RD_033771214597_000 | computation | Reference Data From Materials Project: {formula:AlAgO2,spaceGroup:P6_3/mmc,id:mp-9631} |
| RD_033921232309_000 | computation | AgBr in AFLOW crystal prototype AB_mP4_11_e_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_034043328736_000 | computation | Reference Data From Materials Project: {formula:CeAgPb,spaceGroup:P6_3mc,id:mp-13407} |
| RD_034504802069_000 | computation | Reference Data From Materials Project: {formula:NbAg7S6,spaceGroup:P1,id:mp-676348} |
| RD_034507608615_000 | computation | Reference Data From Materials Project: {formula:PrAgAs2,spaceGroup:Pmcn,id:mp-4308} |
| RD_034798459591_000 | computation | AgCrSe in AFLOW crystal prototype ABC2_hR4_160_a_a_2a. 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_034842941777_000 | computation | AgOSb in AFLOW crystal prototype AB3C_cF80_227_c_f_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_035496977168_000 | computation | Reference Data From Materials Project: {formula:Zr2Ag,spaceGroup:I4/mmm,id:mp-2221} |
| RD_036574714742_000 | computation | Reference Data From Materials Project: {formula:GaAg(PSe3)2,spaceGroup:Pbca,id:mp-654129} |
| RD_036776244099_000 | computation | Reference Data From Materials Project: {formula:AgTeO3,spaceGroup:P2_1/m,id:mp-561489} |
| RD_037159775100_000 | computation | Reference Data From Materials Project: {formula:AgBiTe2,spaceGroup:P-3m1,id:mp-570549} |
| RD_037751062406_000 | computation | Ag 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_038244446804_000 | computation | AgGa 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_038598948608_000 | computation | Reference Data From Materials Project: {formula:HoAgTe2,spaceGroup:P-42_1m,id:mp-12904} |
| RD_038640219502_000 | computation | Reference Data From Materials Project: {formula:AgH2C2N3O,spaceGroup:Pbca,id:mp-707277} |
| RD_038641623912_000 | computation | Reference Data From Materials Project: {formula:Eu3Ag2,spaceGroup:P4/mbm,id:mp-621667} |
| RD_038834956295_000 | computation | Reference Data From Materials Project: {formula:PrAgPb,spaceGroup:P6_3mc,id:mp-19712} |
| RD_038871836683_000 | computation | AgCaGe in AFLOW crystal prototype ABC_oP36_62_3c_3c_3c. 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_038876153803_000 | computation | AgFeO in AFLOW crystal prototype ABC2_hP8_194_c_a_f (metal-oxide; Ag1Fe1O2, ICSD #2786). 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_038918691358_000 | computation | Reference Data From Materials Project: {formula:La2AgSn,spaceGroup:Fm-3m,id:mp-867801} |
| RD_038961470073_000 | computation | AgCO in AFLOW crystal prototype A2BC3_hP36_159_2c_a2b_3c. 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_038988786353_000 | computation | AgOV in AFLOW crystal prototype A2B11C4_mC34_12_i_a5i_2i. 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_039187628467_000 | computation | Reference Data From Materials Project: {formula:EuAgP,spaceGroup:P6_3/mmc,id:mp-20482} |
| RD_039423159372_000 | computation | Reference Data From Materials Project: {formula:UAgIO6,spaceGroup:P2_1/c,id:mp-559573} |
| RD_040017285517_000 | computation | Reference Data From Materials Project: {formula:Ga12Ag2Te19,spaceGroup:P1,id:mp-675033} |
| RD_040616279683_000 | computation | Reference Data From Materials Project: {formula:Li17(AgSn2)3,spaceGroup:P31m,id:mp-567528} |
| RD_040643120275_000 | computation | AgBrCHNS in AFLOW crystal prototype A2B2C3D12E6F3_mP56_13_g_g_eg_6g_3g_eg. 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_041184713543_000 | computation | Reference Data From Materials Project: {formula:TmAg3,spaceGroup:Pm-3m,id:mp-30360} |
| RD_041752405934_000 | computation | AgN in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_041755174402_000 | computation | AgBF in AFLOW crystal prototype ABC5_tP14_85_c_a_cg. 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_041821439256_000 | computation | AgRbSe in AFLOW crystal prototype ABC4_oP24_19_a_a_4a. 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_041892278605_000 | computation | AgAlO in AFLOW crystal prototype ABC2_oP16_33_a_a_2a (metal-oxide; Ag1Al1O2, ICSD #160643). 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_042182214294_000 | computation | Reference Data From Materials Project: {formula:AgBr,spaceGroup:Fm-3m,id:mp-23231} |
| RD_042570730280_000 | computation | Reference Data From Materials Project: {formula:Cs5Ag4C8IN8,spaceGroup:I-43d,id:mp-683972} |
| RD_043071082433_000 | computation | Reference Data From Materials Project: {formula:CsAg2(B5O8)3,spaceGroup:P22_12_1,id:mp-679997} |
| RD_043455276546_000 | computation | AgCNS in AFLOW crystal prototype ABCD_mC32_15_f_f_f_f. 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_043486216992_000 | computation | Reference Data From Materials Project: {formula:NdAgHg2,spaceGroup:Fm-3m,id:mp-864893} |
| RD_043738109651_000 | computation | Reference Data From Materials Project: {formula:Ag2SO4,spaceGroup:Fddd,id:mp-5625} |
| RD_043889508357_000 | computation | Reference Data From Materials Project: {formula:CdAgSb,spaceGroup:F-43m,id:mp-542065} |
| RD_044221734206_000 | computation | Reference Data From Materials Project: {formula:PaAgTe2,spaceGroup:Fm-3m,id:mp-864791} |
| RD_044352969731_000 | computation | AgCa in AFLOW crystal prototype AB_oC8_63_c_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': 2} |
| RD_044556487005_000 | computation | Reference Data From Materials Project: {formula:In4Ag9,spaceGroup:P-43m,id:mp-21975} |
| RD_044589261614_000 | computation | Reference Data From Materials Project: {formula:Lu2AgRu,spaceGroup:Fm-3m,id:mp-865459} |
| RD_044903694425_000 | computation | Reference Data From Materials Project: {formula:AgAsS2,spaceGroup:C2/c,id:mp-542609} |
| RD_045122569255_000 | computation | Ag 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_045541651762_000 | computation | Reference Data From Materials Project: {formula:LiAg,spaceGroup:Pm-3m,id:mp-2426} |
| RD_045616934438_000 | computation | Reference Data From Materials Project: {formula:Pm2AgIr,spaceGroup:Fm-3m,id:mp-862977} |
| RD_045640310221_000 | computation | AgBrTe in AFLOW crystal prototype A10B3C4_oC136_63_2cg4h_deg_2f2g. 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_045702944507_000 | computation | AgErPSe in AFLOW crystal prototype ABC2D6_hP20_163_c_a_f_i. 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_045735588220_000 | computation | Reference Data From Materials Project: {formula:ErAgS2,spaceGroup:I4_1/amd,id:mp-36029} |
| RD_045839960304_000 | computation | AgO in AFLOW crystal prototype A2B_cP6_224_b_a (Cuprite). 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_045935741778_000 | computation | Reference Data From Materials Project: {formula:BaMnV2(AgO4)2,spaceGroup:P-3,id:mp-19174} |
| RD_046501228036_000 | computation | AgErGa in AFLOW crystal prototype A3B3C8_oI28_71_bf_ag_2n (metallic; Ag3Er3Ga8, ICSD #605107). 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_046516544413_000 | computation | AgBr in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). 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_046732708908_000 | computation | AgFOS in AFLOW crystal prototype AB2C6D2_mP44_14_ad_2e_6e_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_046752002224_000 | computation | Reference Data From Materials Project: {formula:AgNO2,spaceGroup:Imm2,id:mp-5770} |
| RD_046759458642_000 | computation | Reference Data From Materials Project: {formula:LiAg2F4,spaceGroup:Fddd,id:mp-752666} |
| RD_046854833368_000 | computation | Reference Data From Materials Project: {formula:Nd3SiAgS7,spaceGroup:P6_3,id:mp-864666} |
| RD_047649407753_000 | computation | AgCNS in AFLOW crystal prototype ABCD_mC32_15_f_f_f_f. 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_047712279392_000 | computation | Reference Data From Materials Project: {formula:Mn3(AgO2)4,spaceGroup:P3_121,id:mp-704268} |
| RD_048299213952_000 | computation | AgSbTe in AFLOW crystal prototype ABC2_cF64_227_c_d_e (metal-oxide; Li1O2Ti1, ICSD #48128). 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_048931292669_000 | computation | AgLaMg in AFLOW crystal prototype ABC_hP9_189_ad_f_g (metallic; Mg1Sn1Yb1, ICSD #54344). 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_049027119248_000 | computation | Reference Data From Materials Project: {formula:Ag,spaceGroup:P6_3/mmc,id:mp-8566} |
| RD_049551369266_000 | computation | Reference Data From Materials Project: {formula:TiCrAg,spaceGroup:F-43m,id:mp-631575} |
| RD_049580402819_000 | computation | Reference Data From Materials Project: {formula:Ag(AuF4)2,spaceGroup:P2_1/c,id:mp-18125} |
| RD_049987097699_000 | computation | AgErGe in AFLOW crystal prototype ABC_hP9_189_ad_f_g (metallic; Bi1Dy1Rh1, ICSD #51845). 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_050256095254_000 | computation | AgSeYb in AFLOW crystal prototype AB2C_oP16_19_a_2a_a. 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_050491076314_000 | computation | Reference Data From Materials Project: {formula:Rb2NbAgS4,spaceGroup:Fddd,id:mp-14636} |
| RD_051265765591_000 | computation | AgKSeTa in AFLOW crystal prototype A2BC4D_oC32_40_ab_b_2bc_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_051282150578_000 | computation | AgBrNO in AFLOW crystal prototype A2BCD3_oP28_62_2c_c_c_cd. 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_051312166396_000 | computation | Reference Data From Materials Project: {formula:PmInAg2,spaceGroup:Fm-3m,id:mp-862923} |
| RD_051780438391_000 | computation | AgNbO in AFLOW crystal prototype ABC3_oP40_57_cd_e_cd2e (Lueshite (NaNbO3)). 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_051828016889_000 | computation | Reference Data From Materials Project: {formula:Ag2CSNClO4,spaceGroup:C2/c,id:mp-680067} |
| RD_052236011848_000 | computation | Reference Data From Materials Project: {formula:AgClO2,spaceGroup:Cmme,id:mp-552169} |
| RD_052548420656_000 | computation | Reference Data From Materials Project: {formula:LiInAg2,spaceGroup:Fm-3m,id:mp-567787} |
| RD_052865782178_000 | computation | AgDySe in AFLOW crystal prototype ABC2_oP16_19_a_a_2a. 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_053054470937_000 | computation | AgCHNS in AFLOW crystal prototype AB2C4D3E2_mP48_14_e_2e_4e_3e_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_053308054616_000 | computation | AgOUW in AFLOW crystal prototype A2B10CD2_oP60_62_2c_4c3d_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': 2} |
| RD_053702585473_000 | computation | AgTh in AFLOW crystal prototype AB2_tI12_140_a_h (Khatyrkite). 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_053839886895_000 | computation | Reference Data From Materials Project: {formula:DyInAg2,spaceGroup:Fm-3m,id:mp-20898} |
| RD_054159515850_000 | computation | AgLaSb in AFLOW crystal prototype ABC2_tP8_129_a_c_bc (metallic; Bi2La1Li1, ICSD #415728). 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_054377961755_000 | computation | AgHIO in AFLOW crystal prototype A2B3CD6_hR12_148_c_d_a_f. 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_054436431318_000 | computation | AgFTa in AFLOW crystal prototype AB6C_tP16_132_b_io_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': 2} |
| RD_054975243710_000 | computation | Reference Data From Materials Project: {formula:Li2AgBi,spaceGroup:F-43m,id:mp-569333} |
| RD_055073336825_000 | computation | Reference Data From Materials Project: {formula:Ag2O,spaceGroup:P-3m1,id:mp-7711} |
| RD_055189373476_000 | computation | AgSbSr in AFLOW crystal prototype ABC_hP6_194_a_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': 2} |
| RD_055262118628_000 | computation | Reference Data From Materials Project: {formula:LiAg2P3(HO5)2,spaceGroup:P-1,id:mp-695951} |
| RD_055429075622_000 | computation | Reference Data From Materials Project: {formula:Yb2AgSn,spaceGroup:Fm-3m,id:mp-866212} |
| RD_056061791333_000 | computation | Reference Data From Materials Project: {formula:PrMg2Ag,spaceGroup:Fm-3m,id:mp-11234} |
| RD_056786678578_000 | computation | AgCNS in AFLOW crystal prototype ABCD_mC32_15_f_f_f_f. 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_057556701195_000 | computation | AgCoO in AFLOW crystal prototype ABC2_hP8_194_c_a_f (metal-oxide; Ag1Fe1O2, ICSD #2786). 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_057572206064_000 | computation | Ag in AFLOW crystal prototype A_hP4_194_ac (alpha-La). 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_057633403676_000 | computation | AgHf in AFLOW crystal prototype AB_tP4_129_c_c (gamma-CuTi). 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_057754496953_000 | computation | AgSbTe in AFLOW crystal prototype ABC2_cF64_227_c_d_e (metal-oxide; Li1O2Ti1, ICSD #48128). 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_057984593557_000 | computation | Reference Data From Materials Project: {formula:CsAg5Se3,spaceGroup:P4_2/mnm,id:mp-10480} |
| RD_059003544683_000 | computation | Reference Data From Materials Project: {formula:Dy2AgRu,spaceGroup:Fm-3m,id:mp-865161} |
| RD_059168847699_000 | computation | Reference Data From Materials Project: {formula:BaAg2SnS4,spaceGroup:I222,id:mp-555166} |
| RD_060268966948_000 | computation | AgSbTe in AFLOW crystal prototype ABC2_cF64_227_c_d_e (metal-oxide; Li1O2Ti1, ICSD #48128). 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_060677469626_000 | computation | Reference Data From Materials Project: {formula:ZnAg2GeO4,spaceGroup:Pc,id:mp-15144} |
| RD_060915800501_000 | computation | AgKNbSe in AFLOW crystal prototype A2BCD4_oC32_40_ab_b_b_2bc. 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_060975579457_000 | computation | Reference Data From Materials Project: {formula:Na3In2Ag,spaceGroup:Fd-3m,id:mp-542681} |
| RD_061294225636_000 | computation | AgGeYb in AFLOW crystal prototype ABC_hP9_189_f_bc_g (metallic; Mg1Sn1Yb1, ICSD #54344). 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_061308060119_000 | computation | Reference Data From Materials Project: {formula:LaAgSO,spaceGroup:P4/nmm,id:mp-6625} |
| RD_061334715640_000 | computation | Reference Data From Materials Project: {formula:LiAg2F4,spaceGroup:I4_1/a,id:mp-758890} |
| RD_061437962040_000 | computation | Reference Data From Materials Project: {formula:AgC2N3,spaceGroup:P3_121,id:mp-616521} |
| RD_061827696935_000 | computation | AgNbO in AFLOW crystal prototype ABC3_cP5_221_a_b_c (Cubic Perovskite). 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_062210372008_000 | computation | Reference Data From Materials Project: {formula:AgB2,spaceGroup:P6/mmm,id:mp-12062} |
| RD_062269412842_000 | computation | Reference Data From Materials Project: {formula:YAg,spaceGroup:Pm-3m,id:mp-2474} |
| RD_062688222296_000 | computation | Reference Data From Materials Project: {formula:Cs2AgI3,spaceGroup:Pmnb,id:mp-540881} |
| RD_062829989019_000 | computation | AgCd 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_062846025299_000 | computation | AgBaO in AFLOW crystal prototype A6BC4_oP44_52_ad2e_c_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_063084086158_000 | computation | Reference Data From Materials Project: {formula:SrAgP,spaceGroup:P6_3/mmc,id:mp-10667} |
| RD_063116736173_000 | computation | AgIK in AFLOW crystal prototype AB3C2_oP24_62_c_3c_2c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_063808653942_000 | computation | Reference Data From Materials Project: {formula:AcAgHg2,spaceGroup:Fm-3m,id:mp-862873} |
| RD_063926429302_000 | computation | AgGeKS in AFLOW crystal prototype A2BC2D4_oF72_70_e_a_e_h. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_064062985756_000 | computation | Reference Data From Materials Project: {formula:Ag2BrNO3,spaceGroup:Pmnb,id:mp-556345} |
| RD_064622503478_000 | computation | AgNdSn in AFLOW crystal prototype ABC_hP6_186_b_a_b (metallic; Au1Pr1Sn1, ICSD #54997). 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_064771974001_000 | computation | Reference Data From Materials Project: {formula:Tl4Ag18Te11,spaceGroup:I4mm,id:mp-531980} |
| RD_065225194463_000 | computation | AgErS in AFLOW crystal prototype ABC2_tI16_109_a_a_2a. 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_065249446812_000 | computation | Reference Data From Materials Project: {formula:Ag2Te,spaceGroup:Pc,id:mp-684798} |
| RD_065479449075_000 | computation | Reference Data From Materials Project: {formula:CeZn2Ag,spaceGroup:Fm-3m,id:mp-867186} |
| RD_066108985599_000 | computation | AgMnOP in AFLOW crystal prototype A2B3C14D4_aP46_2_2i_3i_14i_4i. 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_066185601542_000 | computation | Reference Data From Materials Project: {formula:Cr2AgTe4,spaceGroup:Fd-3m,id:mp-20118} |
| RD_067399123267_000 | computation | Reference Data From Materials Project: {formula:CdAgPd2,spaceGroup:Fm-3m,id:mp-867260} |
| RD_067935931224_000 | computation | AgHfRbTe in AFLOW crystal prototype ABCD3_mP12_11_e_e_e_3e. 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_069193099616_000 | computation | Reference Data From Materials Project: {formula:BaSc3AgS6,spaceGroup:Pcmn,id:mp-554796} |
| RD_069622050772_000 | computation | Reference Data From Materials Project: {formula:SrAgBi,spaceGroup:P6_3/mmc,id:mp-31018} |
| RD_069665577779_000 | computation | AgLi 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_069936560578_000 | computation | AgMgSb in AFLOW crystal prototype ABC_cF12_216_c_a_b (Half-Heusler). 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_069958363651_000 | computation | Reference Data From Materials Project: {formula:Pm2AgRu,spaceGroup:Fm-3m,id:mp-862991} |
| RD_070002006043_000 | computation | AgI in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). 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_070086616188_000 | computation | Reference Data From Materials Project: {formula:AgAsS6N4(OF3)2,spaceGroup:Pcca,id:mp-649756} |
| RD_070136253427_000 | computation | AgNiO in AFLOW crystal prototype A2BC2_hR5_166_c_a_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': 2} |
| RD_070249144313_000 | computation | AgO in AFLOW crystal prototype A3B4_mP14_14_ae_2e (metal-oxide; Ag3O4, ICSD #59225). 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_070343310939_000 | computation | Reference Data From Materials Project: {formula:Ca3Ag8,spaceGroup:Im-3m,id:mp-646824} |
| RD_071108545843_000 | computation | Reference Data From Materials Project: {formula:Li2AgF3,spaceGroup:P-3m1,id:mp-754466} |
| RD_071397563795_000 | computation | AgIOSe in AFLOW crystal prototype A4B2C4D_oP44_33_4a_2a_4a_a. 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_072226950460_000 | computation | Reference Data From Materials Project: {formula:La3SiAgSe7,spaceGroup:P6_3,id:mp-6485} |
| RD_073703409841_000 | computation | Reference Data From Materials Project: {formula:LiAg2F4,spaceGroup:Fd-3m,id:mp-753385} |
| RD_073793357823_000 | computation | Reference Data From Materials Project: {formula:TmAgPb,spaceGroup:P-62m,id:mp-20522} |
| RD_073997692555_000 | computation | AgGeO in AFLOW crystal prototype A5BC4_mP40_14_5e_e_4e. 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_074272976923_000 | computation | AgLu in AFLOW crystal prototype A2B_tI6_139_e_a (MoSi2). 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_074306404393_000 | computation | Reference Data From Materials Project: {formula:Ag2Bi2S3Cl2,spaceGroup:P-1,id:mp-559071} |
| RD_074376659992_000 | computation | Reference Data From Materials Project: {formula:AlAgS2,spaceGroup:P3m1,id:mp-7885} |
| RD_074495048184_000 | computation | AgTb 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_074767303899_000 | computation | AgMg 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_075117815179_000 | computation | Reference Data From Materials Project: {formula:Li2InAg,spaceGroup:F-43m,id:mp-30344} |
| RD_075126424244_000 | computation | AgEr 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_075404070190_000 | computation | AgDy 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_075679189482_000 | computation | AgBrHgS in AFLOW crystal prototype ABCD_oP16_51_i_2e_bf_j. 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_075746257970_000 | computation | Reference Data From Materials Project: {formula:NpAgSeO5,spaceGroup:P-1,id:mp-554763} |
| RD_075835020016_000 | computation | Reference Data From Materials Project: {formula:VAg(PSe3)2,spaceGroup:C2,id:mp-6543} |
| RD_076278267221_000 | computation | AgNbO in AFLOW crystal prototype ABC3_oC40_63_2c_d_f2g. 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_076811876799_000 | computation | Reference Data From Materials Project: {formula:ScAg(PS3)2,spaceGroup:P-31c,id:mp-8616} |
| RD_077118267284_000 | computation | Reference Data From Materials Project: {formula:ZnAg3,spaceGroup:Pm-3m,id:mp-864794} |
| RD_077127599577_000 | computation | Reference Data From Materials Project: {formula:RbUAgSe3,spaceGroup:Cmcm,id:mp-13351} |
| RD_077230980995_000 | computation | Reference Data From Materials Project: {formula:InAgSe2,spaceGroup:I4_1/amd,id:mp-35071} |
| RD_077320201870_000 | computation | Reference Data From Materials Project: {formula:Ag15P4S16Cl3,spaceGroup:I-43d,id:mp-560328} |
| RD_078163619511_000 | computation | AgRbTe in AFLOW crystal prototype A3BC2_mC24_12_3i_i_2i. 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_078337499490_000 | computation | AgCeSi in AFLOW crystal prototype ABC2_oC16_63_c_c_2c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_078441838327_000 | computation | AgGaTe in AFLOW crystal prototype ABC2_tI16_122_a_b_d (Chalcopyrite). 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_079522189289_000 | computation | AgCKO in AFLOW crystal prototype ABCD3_oI48_73_d_c_c_cf. 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_079702063444_000 | computation | AgLaSeSi in AFLOW crystal prototype AB3C7D_hP24_173_a_c_b2c_b (La3CuSiS7). 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_079856271258_000 | computation | Reference Data From Materials Project: {formula:Ag25(BiO6)3,spaceGroup:P-3,id:mp-28729} |
| RD_080268029151_000 | computation | AgBr in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). 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_080399897574_000 | computation | Reference Data From Materials Project: {formula:AgBi2F12,spaceGroup:P-1,id:mp-28965} |
| RD_081305377000_000 | computation | AgMnOV in AFLOW crystal prototype ABC4D_oP28_62_c_a_2cd_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': 2} |
| RD_081352076654_000 | computation | AgCeMg in AFLOW crystal prototype ABC2_cF16_225_a_b_c (Heusler). 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_081503988981_000 | computation | AgGePr in AFLOW crystal prototype A2B2C_tI10_139_d_e_a (metallic; Al2Ce1Ga2, ICSD #55789). 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_081543397773_000 | computation | Reference Data From Materials Project: {formula:Li2AgF5,spaceGroup:C2/c,id:mp-760778} |
| RD_082038848855_000 | computation | AgGaSe in AFLOW crystal prototype ABC2_tI16_122_a_b_d (metal carbo-nitride; C1Mg1N2, ICSD #44110). 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_082351431629_000 | computation | AgCdSb in AFLOW crystal prototype ABC_cF12_216_c_a_b (Half-Heusler). 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_082650992359_000 | computation | Reference Data From Materials Project: {formula:Ba(AgSn)2,spaceGroup:I4/mmm,id:mp-7882} |
| RD_083539535082_000 | computation | Reference Data From Materials Project: {formula:Ac2AgIr,spaceGroup:Fm-3m,id:mp-861724} |
| RD_083572385261_000 | computation | Ag 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_083741252197_000 | computation | AgTb 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_083834548656_000 | computation | Reference Data From Materials Project: {formula:CsAgBr2,spaceGroup:P4/nmm,id:mp-571100} |
| RD_084705774410_000 | computation | Reference Data From Materials Project: {formula:EuAg,spaceGroup:Pmcn,id:mp-665747} |
| RD_084992810777_000 | computation | Reference Data From Materials Project: {formula:TlAgTe2,spaceGroup:I-4m2,id:mp-10006} |
| RD_085574370747_000 | computation | AgHoSn in AFLOW crystal prototype ABC_hP6_186_b_a_b (metallic; Au1Pr1Sn1, ICSD #54997). 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_085602993419_000 | computation | AgF in AFLOW crystal prototype A2B5_aP28_2_abcg2i_10i. 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_085910944174_000 | computation | AgHNSW in AFLOW crystal prototype AB4CD4E_tI22_82_a_g_c_g_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_085982427118_000 | computation | Reference Data From Materials Project: {formula:GdAgGe,spaceGroup:P-62m,id:mp-9341} |
| RD_086014087252_000 | computation | Reference Data From Materials Project: {formula:Ag3Pt,spaceGroup:Pm-3m,id:mp-12065} |
| RD_086308611368_000 | computation | Reference Data From Materials Project: {formula:LiAgF3,spaceGroup:P2_1/c,id:mp-756821} |
| RD_086579599263_000 | computation | Reference Data From Materials Project: {formula:Ag3SI,spaceGroup:P1,id:mp-676121} |
| RD_087027906504_000 | computation | AgTeY in AFLOW crystal prototype AB2C_tP8_113_a_e_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': 2} |
| RD_087376338153_000 | computation | Reference Data From Materials Project: {formula:HoAgSe2,spaceGroup:P2_12_12_1,id:mp-12955} |
| RD_087478824052_000 | computation | Reference Data From Materials Project: {formula:LiAg2F4,spaceGroup:P2_1/c,id:mp-762029} |
| RD_087577789797_000 | computation | Reference Data From Materials Project: {formula:SmCdAg2,spaceGroup:Fm-3m,id:mp-867853} |
| RD_087877634784_000 | computation | Reference Data From Materials Project: {formula:LiMg2Ag,spaceGroup:Fm-3m,id:mp-864598} |
| RD_088574175248_000 | computation | Reference Data From Materials Project: {formula:In5AgS8,spaceGroup:F-43m,id:mp-36751} |
| RD_088670036519_000 | computation | AgLaSb in AFLOW crystal prototype ABC2_tP8_129_a_c_bc (metallic; Bi2La1Li1, ICSD #415728). 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_088813357450_000 | computation | Reference Data From Materials Project: {formula:AgRuO4,spaceGroup:I4_1/a,id:mp-761035} |
| RD_088938981348_000 | computation | Reference Data From Materials Project: {formula:LiAgF3,spaceGroup:P6_122,id:mp-760151} |
| RD_089635786118_000 | computation | Reference Data From Materials Project: {formula:CaAgP,spaceGroup:P-62m,id:mp-12277} |
| RD_089651828569_000 | computation | AgIn in AFLOW crystal prototype AB2_tI12_140_a_h (Khatyrkite). 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_089772584166_000 | computation | AgClCs in AFLOW crystal prototype AB3C_tI20_139_ab_eh_d (AuCsCl3). 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_089898007829_000 | computation | Reference Data From Materials Project: {formula:Yb2AgPt,spaceGroup:Fm-3m,id:mp-865660} |
| RD_090035791097_000 | computation | Reference Data From Materials Project: {formula:AgB(CN)4,spaceGroup:P-43m,id:mp-10413} |
| RD_090092411196_000 | computation | Reference Data From Materials Project: {formula:Ag6Mo2ClO7F3,spaceGroup:P3m1,id:mp-566886} |
| RD_090534310511_000 | computation | Reference Data From Materials Project: {formula:AgBF4,spaceGroup:Pmcn,id:mp-12021} |
| RD_090688820482_000 | computation | Reference Data From Materials Project: {formula:RbAg2SbS4,spaceGroup:P3_221,id:mp-17756} |
| RD_091249148330_000 | computation | Reference Data From Materials Project: {formula:GdMg2Ag,spaceGroup:Fm-3m,id:mp-20149} |
| RD_091407496852_000 | computation | AgBCFHN in AFLOW crystal prototype ABC4D4E8F8_aP52_2_i_i_4i_4i_8i_8i. 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_092027358220_000 | computation | AgBrS in AFLOW crystal prototype A3BC_oC40_63_efg_2c_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_092474700765_000 | computation | AgCHNO in AFLOW crystal prototype AB2C2D3E_oP72_61_c_2c_2c_3c_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': 2} |
| RD_092849846225_000 | computation | AgClO in AFLOW crystal prototype ABC2_oP16_54_c_c_f. 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_093019633587_000 | computation | AgInSe in AFLOW crystal prototype ABC2_tI16_122_a_b_d (Chalcopyrite). 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_093134984771_000 | computation | AgCuOV in AFLOW crystal prototype ABC4D_oP28_62_c_a_2cd_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': 2} |
| RD_093662124383_000 | computation | Reference Data From Materials Project: {formula:YMgAg2,spaceGroup:Fm-3m,id:mp-866162} |
| RD_093901015430_000 | computation | Reference Data From Materials Project: {formula:AgH9O5,spaceGroup:P2_12_12_1,id:mp-769296} |
| RD_094940182661_000 | computation | AgOSeV in AFLOW crystal prototype AB5CD_oP32_57_d_c2de_d_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_095105985454_000 | computation | Reference Data From Materials Project: {formula:AgSbPbS3,spaceGroup:P2_1/c,id:mp-560848} |
| RD_095518296170_000 | computation | Reference Data From Materials Project: {formula:LaAgO3,spaceGroup:R3c,id:mp-768308} |
| RD_096278777319_000 | computation | Reference Data From Materials Project: {formula:LiAgF6,spaceGroup:Ia3,id:mp-867677} |
| RD_096461197106_000 | computation | AgNOS in AFLOW crystal prototype A4B2C2D_oP36_33_4a_2a_2a_a. 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_096908084344_000 | computation | Reference Data From Materials Project: {formula:FeAg3H6(C3N4)2,spaceGroup:Cc,id:mp-690706} |
| RD_096958563329_000 | computation | Reference Data From Materials Project: {formula:AgBiS2,spaceGroup:Cc,id:mp-675977} |
| RD_099320524882_000 | computation | Reference Data From Materials Project: {formula:Ag2BBr,spaceGroup:Fm-3m,id:mp-631581} |
| RD_099370179115_000 | computation | Reference Data From Materials Project: {formula:LiAg2F4,spaceGroup:Ccce,id:mp-867534} |
| RD_099674748052_000 | computation | AgGeS in AFLOW crystal prototype A8BC6_oP60_33_8a_a_6a. 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_099793305536_000 | computation | Reference Data From Materials Project: {formula:YAgPb,spaceGroup:P-62m,id:mp-21505} |
| RD_100446038316_000 | computation | Reference Data From Materials Project: {formula:NdAgPb,spaceGroup:P6_3mc,id:mp-20880} |
| RD_100838628207_000 | computation | Reference Data From Materials Project: {formula:AgSbF6,spaceGroup:Ia3,id:mp-3414} |
| RD_101110668438_000 | computation | Reference Data From Materials Project: {formula:Ag3AsO4,spaceGroup:P-43n,id:mp-5408} |
| RD_101277723839_000 | computation | Reference Data From Materials Project: {formula:CeAgSb2,spaceGroup:P4/nmm,id:mp-510280} |
| RD_101425575755_000 | computation | AgCd in AFLOW crystal prototype A5B8_cI52_217_ce_cg (gammaBrass). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_101640810926_000 | computation | Reference Data From Materials Project: {formula:Tb2CsAg3Se5,spaceGroup:Cmcm,id:mp-542164} |
| RD_101796507610_000 | computation | Reference Data From Materials Project: {formula:CeMgAg2,spaceGroup:Fm-3m,id:mp-865037} |
| RD_101834617732_000 | computation | AgO in AFLOW crystal prototype A2B_cP6_224_b_a (Cuprite). 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_101878282262_000 | computation | Reference Data From Materials Project: {formula:Li2AgAu,spaceGroup:Fm-3m,id:mp-865879} |
| RD_101982476188_000 | computation | AgSSi in AFLOW crystal prototype A8B6C_oP60_33_8a_6a_a. 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_102195368841_000 | computation | Reference Data From Materials Project: {formula:Ag2Se,spaceGroup:P2_12_12_1,id:mp-568936} |
| RD_102223664301_000 | computation | AgMg 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_102277854237_000 | computation | AgCuS in AFLOW crystal prototype ABC_oP12_26_ab_ab_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_102476136752_000 | computation | Reference Data From Materials Project: {formula:SmCu4Ag,spaceGroup:F-43m,id:mp-867863} |
| RD_102948904093_000 | computation | Reference Data From Materials Project: {formula:Tm2AgRu,spaceGroup:Fm-3m,id:mp-865282} |
| RD_103083081236_000 | computation | AgSnY in AFLOW crystal prototype ABC_hP6_186_b_b_a (metallic; Au1Pr1Sn1, ICSD #54997). 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_103214403163_000 | computation | Reference Data From Materials Project: {formula:Ag2S,spaceGroup:P2_1/m,id:mp-556225} |
| RD_103590966149_000 | computation | Reference Data From Materials Project: {formula:Ag3O,spaceGroup:P-31m,id:mp-27819} |
| RD_103702481608_000 | computation | AgFeO in AFLOW crystal prototype ABC2_hR4_166_a_b_c (metal-oxide; Ag1Cr1O2, ICSD #4149). 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_103743617050_000 | computation | Reference Data From Materials Project: {formula:AgAsF6,spaceGroup:Fm-3m,id:mp-37153} |
| RD_103813160964_000 | computation | Reference Data From Materials Project: {formula:Pr3SiAgSe7,spaceGroup:P6_3,id:mp-17389} |
| RD_104925669211_000 | computation | Reference Data From Materials Project: {formula:EuAgBi,spaceGroup:P6_3/mmc,id:mp-23378} |
| RD_105068586499_000 | computation | AgGeTb in AFLOW crystal prototype ABC_hP9_189_ad_g_f (metallic; Bi1Dy1Rh1, ICSD #51845). 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_105081164945_000 | computation | Reference Data From Materials Project: {formula:CsUAgS3,spaceGroup:Cmcm,id:mp-13346} |
| RD_105089067927_000 | computation | Reference Data From Materials Project: {formula:ZrAgMo,spaceGroup:F-43m,id:mp-631561} |
| RD_105844996292_000 | computation | Reference Data From Materials Project: {formula:RbAg3Se2,spaceGroup:C2/m,id:mp-10477} |
| RD_105893888213_000 | computation | AgBaSb in AFLOW crystal prototype ABC_hP6_194_a_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': 2} |
| RD_105963938730_000 | computation | AgDySn in AFLOW crystal prototype A4B3C4_oI22_71_n_af_eh (metallic; Ag4Dy3Sn4, ICSD #156968). 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_106372931160_000 | computation | AgClO in AFLOW crystal prototype ABC4_tI12_121_a_b_i. 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_106633385289_000 | computation | Reference Data From Materials Project: {formula:Ag3SI,spaceGroup:R32,id:mp-676561} |
| RD_106716166292_000 | computation | AgNaO in AFLOW crystal prototype AB3C2_oI24_72_c_bf_j (metal-oxide; Ag1Na3O2, ICSD #16919). 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_107057712595_000 | computation | Reference Data From Materials Project: {formula:LaAl2Ag3,spaceGroup:P6/mmm,id:mp-16766} |
| RD_107137522999_000 | computation | Reference Data From Materials Project: {formula:Li2AgF4,spaceGroup:C2/c,id:mp-761269} |
| RD_107671902187_000 | computation | AgIS in AFLOW crystal prototype A3BC_cP5_221_c_a_b (Cubic Perovskite). 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_108215520652_000 | computation | Reference Data From Materials Project: {formula:Cr2Ag2O7,spaceGroup:P-1,id:mp-504441} |
| RD_108270311338_000 | computation | Reference Data From Materials Project: {formula:Si2Ag6O7,spaceGroup:P2/c,id:mp-561313} |
| RD_108325686581_000 | computation | AgFSb in AFLOW crystal prototype AB6C_cI64_206_a_e_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_108368181623_000 | computation | AgTi in AFLOW crystal prototype AB_tP4_129_c_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': 2} |
| RD_108789068134_000 | computation | AgSiYb in AFLOW crystal prototype A2B2C_tI10_139_d_e_a (metallic; Ba1Mn2Sn2, ICSD #405). 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_109163059386_000 | computation | AgAuS in AFLOW crystal prototype A3BC2_cP48_213_e_c_2c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_109248150500_000 | computation | Reference Data From Materials Project: {formula:AgAs(XeF5)2,spaceGroup:I4/mcm,id:mp-557631} |
| RD_109454436058_000 | computation | AgAsS in AFLOW crystal prototype A7BC6_cP56_198_a2b_a_3ab. 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_109600554257_000 | computation | AgOPb in AFLOW crystal prototype A5B6C2_hP13_162_ef_k_d (metal-oxide; Ag5O6Pb2, ICSD #40058). 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_110717652877_000 | computation | AgGdMg in AFLOW crystal prototype ABC2_cF16_225_a_b_c (Heusler). 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_111027408548_000 | computation | Unstable stacking energy (gamma_us) fcc Ag at zero temperature computed using density functional theory (DFT) by Kibey et al. (2007). |
| RD_111211599234_000 | computation | Reference Data From Materials Project: {formula:La2AgRu,spaceGroup:Fm-3m,id:mp-867798} |
| RD_111333697957_000 | computation | Reference Data From Materials Project: {formula:AgAsF7,spaceGroup:Pmnb,id:mp-4807} |
| RD_111400388168_000 | computation | Reference Data From Materials Project: {formula:Dy2AgRu,spaceGroup:Fm-3m,id:mp-865161} |
| RD_111788829065_000 | computation | Reference Data From Materials Project: {formula:Lu2AgHg,spaceGroup:Fm-3m,id:mp-865446} |
| RD_112331836089_000 | computation | Reference Data From Materials Project: {formula:ScInAg2,spaceGroup:Fm-3m,id:mp-30347} |
| RD_112400542583_000 | computation | Reference Data From Materials Project: {formula:CeAgHg2,spaceGroup:Fm-3m,id:mp-865885} |
| RD_112627366393_000 | computation | AgMnO in AFLOW crystal prototype A2BC4_oP28_62_ac_c_2cd (Ag2CrO4 ternary oxide (R. Friedrich), ICSD #16298). 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_112810311692_000 | computation | Reference Data From Materials Project: {formula:Ba(AgS)2,spaceGroup:P-3m1,id:mp-8579} |
| RD_113001891618_000 | computation | AgO in AFLOW crystal prototype A2B_cP6_224_b_a (Cuprite). 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_113098372486_000 | computation | Reference Data From Materials Project: {formula:Ag4PIO4,spaceGroup:P2_1/m,id:mp-553924} |
| RD_114014283238_000 | computation | AgEr 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_114291432537_000 | computation | AgC in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). 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_114461440158_000 | computation | AgCeGeS in AFLOW crystal prototype AB3CD7_hP24_173_a_c_b_b2c (La3CuSiS7). 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_114499737338_000 | computation | Reference Data From Materials Project: {formula:ThInAg2,spaceGroup:Fm-3m,id:mp-862932} |
| RD_114663291686_000 | computation | Reference Data From Materials Project: {formula:Si2Ag6O7,spaceGroup:P2_1,id:mp-541728} |
| RD_115009607815_000 | computation | Reference Data From Materials Project: {formula:CeInAg2,spaceGroup:Fm-3m,id:mp-672191} |
| RD_115172740539_000 | computation | Reference Data From Materials Project: {formula:Tl3AgI5,spaceGroup:P-62c,id:mp-28043} |
| RD_115344082457_000 | computation | AgKNbS in AFLOW crystal prototype AB2CD4_oF64_70_a_e_b_h. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_115869930286_000 | computation | AgAlLi in AFLOW crystal prototype A2BC_cF16_225_c_a_b (Heusler). 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_116200400249_000 | computation | AgZr 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_116321785852_000 | computation | Reference Data From Materials Project: {formula:Pr(AgGe)2,spaceGroup:I4/mmm,id:mp-5564} |
| RD_117831015328_000 | computation | Reference Data From Materials Project: {formula:FeAgO2,spaceGroup:R-3m,id:mp-19225} |
| RD_117943396457_000 | computation | AgScTe in AFLOW crystal prototype AB6C2_oP36_62_c_6c_2c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_118182850512_000 | computation | AgInTe in AFLOW crystal prototype AB5C8_tP14_111_a_bm_2n. 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_118520655560_000 | computation | Reference Data From Materials Project: {formula:AgCSN,spaceGroup:Pmnn,id:mp-562550} |
| RD_118546928381_000 | computation | Reference Data From Materials Project: {formula:YAg3(PS4)2,spaceGroup:C2/c,id:mp-561467} |
| RD_119110449026_000 | computation | Reference Data From Materials Project: {formula:MgAg3,spaceGroup:P6_3/mmc,id:mp-864934} |
| RD_119266315256_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_119468098419_000 | computation | AgOV in AFLOW crystal prototype AB3C_mC40_15_2e_3f_f. 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_119564352513_000 | computation | Reference Data From Materials Project: {formula:AgPO3,spaceGroup:P2_1/c,id:mp-775762} |
| RD_119707905902_000 | computation | Reference Data From Materials Project: {formula:Ag2F5,spaceGroup:P-1,id:mp-542298} |
| RD_119909540505_000 | computation | Reference Data From Materials Project: {formula:Ag3AuS2,spaceGroup:P1,id:mp-34982} |
| RD_121352595826_000 | computation | Reference Data From Materials Project: {formula:KAgSe,spaceGroup:P4/nmm,id:mp-16236} |
| RD_121840684456_000 | computation | Reference Data From Materials Project: {formula:DyCdAg2,spaceGroup:Fm-3m,id:mp-867256} |
| RD_122371755701_000 | computation | AgKTe in AFLOW crystal prototype A3BC2_mC24_12_3i_i_2i. 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_122657541273_000 | computation | Reference Data From Materials Project: {formula:Zr3Ag,spaceGroup:Pm-3m,id:mp-30362} |
| RD_122662854793_000 | computation | AgBF in AFLOW crystal prototype ABC4_oP24_62_c_c_2cd. 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_122876508029_000 | computation | AgCeSeSi in AFLOW crystal prototype AB3C7D_hP24_173_a_c_b2c_b (La3CuSiS7). 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_122947392571_000 | computation | AgIS in AFLOW crystal prototype A3BC_hR5_146_b_a_a (gamma-Ag3SI). 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_123452112876_000 | computation | Reference Data From Materials Project: {formula:EuAgO2,spaceGroup:P6_3/mmc,id:mp-756690} |
| RD_123634337329_000 | computation | AgSSb in AFLOW crystal prototype A3B3C_hR14_161_b_b_a. 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_123785256228_000 | computation | Reference Data From Materials Project: {formula:AgBrO4,spaceGroup:Pmnb,id:mp-755991} |
| RD_123908682733_000 | computation | AgS in AFLOW crystal prototype A2B_mP6_11_ae_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_123958029896_000 | computation | Reference Data From Materials Project: {formula:CuAg3S2,spaceGroup:I4_1/a,id:mp-644883} |
| RD_124137669713_000 | computation | Reference Data From Materials Project: {formula:AgAuO3,spaceGroup:Fd-3m,id:mp-776165} |
| RD_124213024277_000 | computation | AgHgI in AFLOW crystal prototype A2BC4_tI14_82_ac_b_g. 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_124347515838_000 | computation | Reference Data From Materials Project: {formula:AgSbO3,spaceGroup:P1,id:mp-677054} |
| RD_124902636766_000 | computation | AgDyPb in AFLOW crystal prototype ABC_hP6_186_b_a_b (metallic; Au1Pr1Sn1, ICSD #54997). 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_125519887742_000 | computation | AgSSb in AFLOW crystal prototype A3B3C_hR14_161_b_b_a. 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_126436190893_000 | computation | Reference Data From Materials Project: {formula:HoAlAg2,spaceGroup:Fm-3m,id:mp-861934} |
| RD_126857331616_000 | computation | Reference Data From Materials Project: {formula:AgAu3,spaceGroup:Pm-3m,id:mp-867303} |
| RD_127277952396_000 | computation | AgBaSn in AFLOW crystal prototype A2BC2_tI10_139_d_a_e (metallic; Ag2Ba1Sn2, ICSD #25332). 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_127566251460_000 | computation | AgBF in AFLOW crystal prototype ABC5_tP14_85_c_a_cg. 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_127568964539_000 | computation | AgSSb in AFLOW crystal prototype A3B3C_mC28_9_3a_3a_a. 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_127674997614_000 | computation | AgKSV in AFLOW crystal prototype AB2C4D_oF64_70_a_e_h_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_127722254349_000 | computation | AgClRe in AFLOW crystal prototype A2B6C_hR9_148_c_f_a. 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_127836320156_000 | computation | Reference Data From Materials Project: {formula:CaV4(AgO6)2,spaceGroup:P4/nbm,id:mp-25168} |
| RD_127945176795_000 | computation | AgCdGaS in AFLOW crystal prototype AB2CD4_oP16_31_a_b_a_2ab. 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_128042994410_000 | computation | Reference Data From Materials Project: {formula:TlV2AgO6,spaceGroup:C2/c,id:mp-18853} |
| RD_128116926182_000 | computation | Reference Data From Materials Project: {formula:AgNO3,spaceGroup:P2_12_12_1,id:mp-669466} |
| RD_129669538165_000 | computation | Reference Data From Materials Project: {formula:TbAg,spaceGroup:Pm-3m,id:mp-2268} |
| RD_129695386146_000 | computation | Reference Data From Materials Project: {formula:AgBr,spaceGroup:F-43m,id:mp-866291} |
| RD_130111220863_000 | computation | AgAuClCs in AFLOW crystal prototype ABC6D2_cF40_225_a_b_e_c (Double Perovskite (Ba2MnWO6)). 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_130329337684_000 | computation | AgI 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': 2} |
| RD_130829836570_000 | computation | Reference Data From Materials Project: {formula:SmAg2Sn,spaceGroup:Fm-3m,id:mp-862735} |
| RD_130899770548_000 | computation | AgIOTi in AFLOW crystal prototype A2B6C18D_hR27_148_c_f_3f_a. 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_131477803293_000 | computation | Reference Data From Materials Project: {formula:Ce3(AgGe)4,spaceGroup:Immm,id:mp-640597} |
| RD_131931831221_000 | computation | AgCeNO in AFLOW crystal prototype A6BC9D27_hR86_167_2e_b_ef_e4f. 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_132143089149_000 | computation | AgMgZn in AFLOW crystal prototype A2BC_cF16_225_c_a_b (Heusler). 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_132146047959_000 | computation | Ag 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_132244406181_000 | computation | Reference Data From Materials Project: {formula:Ag3BiO3,spaceGroup:I4_1,id:mp-505145} |
| RD_132466563672_000 | computation | Reference Data From Materials Project: {formula:VCuAgO4,spaceGroup:Pcmn,id:mp-542969} |
| RD_132892617195_000 | computation | Reference Data From Materials Project: {formula:LaAg,spaceGroup:Pm-3m,id:mp-1948} |
| RD_133025831542_000 | computation | AgPr 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_133658063711_000 | computation | Reference Data From Materials Project: {formula:LiCdAg2,spaceGroup:Fm-3m,id:mp-867872} |
| RD_134570005612_000 | computation | AgSbTe in AFLOW crystal prototype ABC2_cF64_227_c_d_e (metal-oxide; Li1O2Ti1, ICSD #48128). 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_134586645808_000 | computation | AgPSeV in AFLOW crystal prototype AB2C6D_mC20_5_a_c_3c_a. 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_134712772692_000 | computation | Reference Data From Materials Project: {formula:Sm2AgRu,spaceGroup:Fm-3m,id:mp-867869} |
| RD_135164953519_000 | computation | Reference Data From Materials Project: {formula:ErAg,spaceGroup:Pm-3m,id:mp-2621} |
| RD_135271942597_000 | computation | Reference Data From Materials Project: {formula:Ce5AgS8,spaceGroup:I-4,id:mp-675643} |
| RD_135383739516_000 | computation | AgAsS in AFLOW crystal prototype A3BC3_hR14_161_b_a_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_136570105735_000 | computation | Reference Data From Materials Project: {formula:K2AgI3,spaceGroup:Pmnb,id:mp-569943} |
| RD_136617696314_000 | computation | Reference Data From Materials Project: {formula:ZnAg3,spaceGroup:Pm-3m,id:mp-864794} |
| RD_136927145822_000 | computation | Reference Data From Materials Project: {formula:LiAg2F4,spaceGroup:Cmce,id:mp-753216} |
| RD_136944737448_000 | computation | Reference Data From Materials Project: {formula:CdAg,spaceGroup:Pm-3m,id:mp-2642} |
| RD_137399166916_000 | computation | Reference Data From Materials Project: {formula:Ag2Se,spaceGroup:P2_12_12_1,id:mp-754954} |
| RD_137425080556_000 | computation | AgGaS in AFLOW crystal prototype ABC2_tI16_122_a_b_d (metal carbo-nitride; C1Mg1N2, ICSD #44110). 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_137650145126_000 | computation | Reference Data From Materials Project: {formula:Tm2AgRu,spaceGroup:Fm-3m,id:mp-865282} |
| RD_137701729191_000 | computation | Reference Data From Materials Project: {formula:ErAgGe,spaceGroup:P-62m,id:mp-9343} |
| RD_137723119967_000 | computation | Reference Data From Materials Project: {formula:AcAg3,spaceGroup:P6_3/mmc,id:mp-865950} |
| RD_139544768608_000 | computation | AgGd 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_139853748464_000 | computation | AgHgOV in AFLOW crystal prototype ABC4D_mC28_5_c_ab_4c_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': 2} |
| RD_140021580220_000 | computation | AgCKMnN in AFLOW crystal prototype A3B6CDE6_hP17_149_k_l_a_c_l. 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_140130650125_000 | computation | AgOP in AFLOW crystal prototype A3B4C_cP16_223_c_e_a (metal-oxide; O4Pd3Sr1, ICSD #16537). 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_140161243380_000 | computation | AgDyIn in AFLOW crystal prototype A2BC_cF16_225_c_a_b (Heusler). 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_140257829957_000 | computation | Reference Data From Materials Project: {formula:Ag2PdCl4,spaceGroup:Cmce,id:mp-28557} |
| RD_140375655577_000 | computation | AgN in AFLOW crystal prototype AB3_oI16_72_a_dj (metal-nitride; Ag1N3, ICSD #27135). 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_140407127921_000 | computation | AgOSTe in AFLOW crystal prototype A4B4CD_cP40_198_ab_ab_a_a. 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_140808847679_000 | computation | AgGdSe in AFLOW crystal prototype ABC2_tI16_109_a_a_2a. 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_140993317094_000 | computation | Reference Data From Materials Project: {formula:AgB10H26C6N,spaceGroup:P2_1/c,id:mp-738633} |
| RD_141123071860_000 | computation | AgMnSSb in AFLOW crystal prototype A4BC6D2_mP26_14_2e_a_3e_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_141348955199_000 | computation | AgBaS in AFLOW crystal prototype A8BC5_mP56_11_ab7f_2e_2e4f. 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_141449600258_000 | computation | Reference Data From Materials Project: {formula:AgPt3,spaceGroup:Pm-3m,id:mp-30353} |
| RD_141663477910_000 | computation | Reference Data From Materials Project: {formula:CeAgP2,spaceGroup:C2/c,id:mp-675111} |
| RD_141710298131_000 | computation | AgI 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': 2} |
| RD_141827589160_000 | computation | Reference Data From Materials Project: {formula:CeAgGe,spaceGroup:P6_3mc,id:mp-11215} |
| RD_141909186444_000 | computation | AgGaSe in AFLOW crystal prototype ABC2_tI16_122_a_b_d (metal carbo-nitride; C1Mg1N2, ICSD #44110). 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_141926717632_000 | computation | AgCa in AFLOW crystal prototype A7B2_oC36_63_cgh_f. 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_142013522936_000 | computation | AgI in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_142130102742_000 | computation | Reference Data From Materials Project: {formula:CuAgO2,spaceGroup:P-1,id:mp-675402} |
| RD_142676857993_000 | computation | Reference Data From Materials Project: {formula:DyAgGe,spaceGroup:P-62m,id:mp-567574} |
| RD_142835552646_000 | computation | Reference Data From Materials Project: {formula:KAgCO3,spaceGroup:Ibca,id:mp-541966} |
| RD_142994601996_000 | computation | AgNbO in AFLOW crystal prototype ABC3_oP40_57_cd_e_cd2e (Lueshite (NaNbO3)). 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_143302036134_000 | computation | Reference Data From Materials Project: {formula:CuAgS,spaceGroup:Pmcn,id:mp-5014} |
| RD_143315667061_000 | computation | Reference Data From Materials Project: {formula:Mg2AgRh,spaceGroup:Fm-3m,id:mp-864933} |
| RD_143355361757_000 | computation | Reference Data From Materials Project: {formula:InAgSe2,spaceGroup:F2dd,id:mp-686712} |
| RD_143453297574_000 | computation | Reference Data From Materials Project: {formula:AgI,spaceGroup:Fm-3m,id:mp-22919} |
| RD_143984609363_000 | computation | AgO in AFLOW crystal prototype A2B_cP6_224_b_a (Cuprite). 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_144023294590_000 | computation | AgNiTe in AFLOW crystal prototype ABC2_hR4_160_a_a_2a. 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_144230857689_000 | computation | AgPSZn in AFLOW crystal prototype ABC4D_oP28_33_a_a_4a_a. 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_144474127437_000 | computation | Reference Data From Materials Project: {formula:LiAgF2,spaceGroup:Pm2_1n,id:mp-753277} |
| RD_144569263352_000 | computation | AgO in AFLOW crystal prototype A2B3_oF40_43_b_ab (metal-oxide; Au2O3, ICSD #8014). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_144615682054_000 | computation | AgNiO in AFLOW crystal prototype ABC2_hR4_166_a_b_c (metal-oxide; Ag1Cr1O2, ICSD #4149). 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_144634441833_000 | computation | AgFZn in AFLOW crystal prototype AB3C_cP5_221_a_c_b (Cubic Perovskite). 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_145778705634_000 | computation | AgNbO in AFLOW crystal prototype ABC3_oP40_57_cd_e_cd2e (Lueshite (NaNbO3)). 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_146419141508_000 | computation | AgPS in AFLOW crystal prototype A2BC3_aP72_2_12i_6i_18i. 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_146625559253_000 | computation | AgCNS in AFLOW crystal prototype ABCD_mC32_15_f_f_f_f. 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_147260903679_000 | computation | Reference Data From Materials Project: {formula:AgAsRu2,spaceGroup:F-43m,id:mp-631567} |
| RD_147680935855_000 | computation | Reference Data From Materials Project: {formula:TlAg(CN)2,spaceGroup:P2_1/c,id:mp-621981} |
| RD_147837790688_000 | computation | Reference Data From Materials Project: {formula:AgSbC2N2(ClF3)2,spaceGroup:P2/c,id:mp-556201} |
| RD_148088888960_000 | computation | AgOSrV in AFLOW crystal prototype A2B12CD4_tP38_125_e_mn_a_l. 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_148097117873_000 | computation | Reference Data From Materials Project: {formula:AgC2N3,spaceGroup:Pmcn,id:mp-567459} |
| RD_148423405634_000 | computation | AgErSe in AFLOW crystal prototype ABC2_oP16_19_a_a_2a. 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_148950398918_000 | computation | Reference Data From Materials Project: {formula:LiAgF4,spaceGroup:P2_1/m,id:mp-765339} |
| RD_149084291404_000 | computation | AgBaSY in AFLOW crystal prototype A5B2C6D_mC28_12_a2i_i_3i_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_149114342287_000 | computation | AgLi in AFLOW crystal prototype AB_tI8_141_a_b (fcc derivative (Y. Lederer)). 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_149333582002_000 | computation | Reference Data From Materials Project: {formula:DyAgTe2,spaceGroup:P-42_1m,id:mp-4024} |
| RD_149334280454_000 | computation | Reference Data From Materials Project: {formula:CeAlAg2,spaceGroup:Fm-3m,id:mp-865968} |
| RD_150245587690_000 | computation | Reference Data From Materials Project: {formula:AgBiTe2,spaceGroup:P-3m1,id:mp-570549} |
| RD_151116333045_000 | computation | Reference Data From Materials Project: {formula:CeCd2Ag,spaceGroup:Fm-3m,id:mp-31173} |
| RD_151212667994_000 | computation | Reference Data From Materials Project: {formula:ErInAg2,spaceGroup:Fm-3m,id:mp-30340} |
| RD_151896667890_000 | computation | AgHo 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_152027360254_000 | computation | Reference Data From Materials Project: {formula:YCdAg2,spaceGroup:Fm-3m,id:mp-865503} |
| RD_152150403063_000 | computation | Reference Data From Materials Project: {formula:AgSbSe2,spaceGroup:I4_1/amd,id:mp-33683} |
| RD_152752165761_000 | computation | AgCCuNRb in AFLOW crystal prototype A2B4CD4E_mP24_13_ae_2g_f_2g_f. 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_153953062160_000 | computation | AgFK in AFLOW crystal prototype AB4C2_mP14_14_a_2e_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_154148345645_000 | computation | AgY in AFLOW crystal prototype A2B_tI6_139_e_a (MoSi2). 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_154467495249_000 | computation | Reference Data From Materials Project: {formula:LiAg2F6,spaceGroup:P321,id:mp-765566} |
| RD_154468080363_000 | computation | Reference Data From Materials Project: {formula:Ag2S,spaceGroup:P1,id:mp-32868} |
| RD_155070227850_000 | computation | Reference Data From Materials Project: {formula:ErAgGe,spaceGroup:P-62m,id:mp-9343} |
| RD_155125862936_000 | computation | Reference Data From Materials Project: {formula:LiAgF4,spaceGroup:I4/mcm,id:mp-752768} |
| RD_155180058959_000 | computation | AgClNO in AFLOW crystal prototype A2BCD3_oP28_62_2c_c_c_cd. 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_155180276409_000 | computation | Reference Data From Materials Project: {formula:Nd3SiAgS7,spaceGroup:P6_3,id:mp-864666} |
| RD_155261682717_000 | computation | Reference Data From Materials Project: {formula:LiCdAg2,spaceGroup:Fm-3m,id:mp-867872} |
| RD_155704807438_000 | computation | Reference Data From Materials Project: {formula:Ag3Ge5P6,spaceGroup:I-43m,id:mp-17862} |
| RD_155846198148_000 | computation | AgF in AFLOW crystal prototype A2B_hP3_164_d_a. 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_156217387930_000 | computation | Reference Data From Materials Project: {formula:AgBi(PS3)2,spaceGroup:P-1,id:mp-556434} |
| RD_156422898080_000 | computation | Reference Data From Materials Project: {formula:BaAgTeF,spaceGroup:P4/nmm,id:mp-16742} |
| RD_156469023013_000 | computation | AgIO in AFLOW crystal prototype ABC4_tI24_88_a_b_f (CaMoO4, ICSD #417513). 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_157015943899_000 | computation | Reference Data From Materials Project: {formula:ScZn2Ag,spaceGroup:Fm-3m,id:mp-867109} |
| RD_157167333086_000 | computation | Reference Data From Materials Project: {formula:AcTlAg2,spaceGroup:Fm-3m,id:mp-865958} |
| RD_157444658435_000 | computation | AgZr 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_157528086916_000 | computation | Reference Data From Materials Project: {formula:AgMo4H22C8(NO5)3,spaceGroup:P-1,id:mp-603983} |
| RD_157570239272_000 | computation | Reference Data From Materials Project: {formula:CoAgO3,spaceGroup:C2/c,id:mp-761547} |
| RD_157867317148_000 | computation | AgSbTe in AFLOW crystal prototype ABC2_cF64_227_c_d_e (metal-oxide; Li1O2Ti1, ICSD #48128). 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_157892695742_000 | computation | Reference Data From Materials Project: {formula:Li2AgPb,spaceGroup:F-43m,id:mp-30349} |
| RD_158480626968_000 | computation | Reference Data From Materials Project: {formula:TbAgPb,spaceGroup:P6_3mc,id:mp-31447} |
| RD_158522156442_000 | computation | AgGePr in AFLOW crystal prototype A2B2C_tI10_139_d_e_a (metallic; Al2Ce1Ga2, ICSD #55789). 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_158813034389_000 | computation | AgHoSn in AFLOW crystal prototype A4B3C4_oI22_71_n_af_eh (metallic; Ag4Dy3Sn4, ICSD #156968). 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_158830387879_000 | computation | AgDyGe in AFLOW crystal prototype ABC_hP9_189_f_g_bc (metallic; Mg1Sn1Yb1, ICSD #54344). 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_158865234431_000 | computation | Reference Data From Materials Project: {formula:Ag,spaceGroup:P6_3/mmc,id:mp-10597} |
| RD_159064641186_000 | computation | Reference Data From Materials Project: {formula:AgHg3SbO6,spaceGroup:R-3c,id:mp-12362} |
| RD_159087876642_000 | computation | Reference Data From Materials Project: {formula:LaAg(PO3)4,spaceGroup:P2_1/c,id:mp-558465} |
| RD_159669114049_000 | computation | AgMnO in AFLOW crystal prototype ABC4_mP24_14_e_e_4e. 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_159713474431_000 | computation | AgHgI in AFLOW crystal prototype A2BC4_tI14_82_ac_b_g. 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_160199522689_000 | computation | Reference Data From Materials Project: {formula:PmAg2Sn,spaceGroup:Fm-3m,id:mp-862877} |
| RD_160418694458_000 | computation | Reference Data From Materials Project: {formula:CsAlAgF6,spaceGroup:Pmnb,id:mp-561999} |
| RD_160526178795_000 | computation | Reference Data From Materials Project: {formula:Pr3SiAgS7,spaceGroup:P6_3,id:mp-867322} |
| RD_160855977416_000 | computation | Reference Data From Materials Project: {formula:Mn(AgO2)2,spaceGroup:Pcmn,id:mp-554049} |
| RD_162742013869_000 | computation | AgO in AFLOW crystal prototype A2B_cP6_224_b_a (Cuprite). 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_162977291704_000 | computation | Reference Data From Materials Project: {formula:Ba4AgAuO6,spaceGroup:Ccmm,id:mp-556896} |
| RD_162994921407_000 | computation | Reference Data From Materials Project: {formula:KAg(NO3)2,spaceGroup:P2_1/c,id:mp-18429} |
| RD_163620996080_000 | computation | Reference Data From Materials Project: {formula:Ag2H12S(NO)4,spaceGroup:P-42_1c,id:mp-723002} |
| RD_163676302896_000 | computation | AgI 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': 2} |
| RD_163713765254_000 | computation | Reference Data From Materials Project: {formula:Al(Ag3S2)3,spaceGroup:P1,id:mp-675325} |
| RD_164436620525_000 | computation | AgEuP in AFLOW crystal prototype ABC_hP6_194_c_a_d (metallic; Bi1Ca1Cu1, ICSD #57018). 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_165208812434_000 | computation | Reference Data From Materials Project: {formula:Ag8GeTe6,spaceGroup:P1,id:mp-676555} |
| RD_165220856548_000 | computation | AgSSb in AFLOW crystal prototype AB2C_mC32_15_ce_2f_f. 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_165329655659_000 | computation | Reference Data From Materials Project: {formula:LiAgF2,spaceGroup:C2,id:mp-752767} |
| RD_165698582951_000 | computation | AgIn 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_166352984087_000 | computation | AgSbTe in AFLOW crystal prototype ABC2_cF64_227_c_d_e (metal-oxide; Li1O2Ti1, ICSD #48128). 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_166609144737_000 | computation | Reference Data From Materials Project: {formula:RbAg2(AsSe2)3,spaceGroup:P2_1/c,id:mp-570593} |
| RD_167298684326_000 | computation | AgPrSeSi in AFLOW crystal prototype AB3C7D_hP24_173_a_c_b2c_b (La3CuSiS7). 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_167314719860_000 | computation | Reference Data From Materials Project: {formula:YbSiAg,spaceGroup:P-62m,id:mp-16241} |
| RD_167524279650_000 | computation | Reference Data From Materials Project: {formula:BaAg2GeS4,spaceGroup:I-42m,id:mp-7394} |
| RD_167558688862_000 | computation | AgGd 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_167737614569_000 | computation | Reference Data From Materials Project: {formula:TbAgSn,spaceGroup:P6_3mc,id:mp-31422} |
| RD_167775640181_000 | computation | Reference Data From Materials Project: {formula:Yb2AgGe,spaceGroup:Fm-3m,id:mp-865630} |
| RD_167968636734_000 | computation | Reference Data From Materials Project: {formula:LiAgF4,spaceGroup:P2_1/c,id:mp-753383} |
| RD_168396382302_000 | computation | AgSi in AFLOW crystal prototype A2B_oC24_63_acg_f. 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_168539036268_000 | computation | Reference Data From Materials Project: {formula:Re(AgCl3)2,spaceGroup:R-3,id:mp-23472} |
| RD_168558760832_000 | computation | AgBrCs in AFLOW crystal prototype AB3C2_oP24_62_c_3c_2c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_169250796761_000 | computation | Reference Data From Materials Project: {formula:Er2TlAg,spaceGroup:Fm-3m,id:mp-863667} |
| RD_169305738907_000 | computation | AgPSe in AFLOW crystal prototype A3BC4_oP16_31_ab_a_2ab (Enargite). 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_169657908046_000 | computation | Reference Data From Materials Project: {formula:Ag3SI,spaceGroup:R3,id:mp-22995} |
| RD_169806961862_000 | computation | Reference Data From Materials Project: {formula:La2Ti3(AgO5)2,spaceGroup:I4/mmm,id:mp-6000} |
| RD_170428481209_000 | computation | AgEuOTi in AFLOW crystal prototype ABC4D_oP28_57_d_d_2c2d_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_170695179317_000 | computation | Reference Data From Materials Project: {formula:MgAgAs,spaceGroup:F-43m,id:mp-3477} |
| RD_170875804121_000 | computation | Reference Data From Materials Project: {formula:Cs2NbAgS4,spaceGroup:Fddd,id:mp-623028} |
| RD_171029394343_000 | computation | Reference Data From Materials Project: {formula:EuAgP,spaceGroup:P6_3/mmc,id:mp-20482} |
| RD_171139788693_000 | computation | Reference Data From Materials Project: {formula:Tm2AgPt,spaceGroup:Fm-3m,id:mp-865281} |
| RD_171375235757_000 | computation | Reference Data From Materials Project: {formula:BeAgPO4,spaceGroup:P2_1/c,id:mp-15919} |
| RD_172031314159_000 | computation | AgS in AFLOW crystal prototype A2B_oP12_19_2a_a. 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_172184862154_000 | computation | AgSSnZn in AFLOW crystal prototype A2B4CD_tI16_121_d_i_a_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_172318963332_000 | computation | Reference Data From Materials Project: {formula:Sc2TlAg,spaceGroup:Fm-3m,id:mp-862366} |
| RD_172356756441_000 | computation | Reference Data From Materials Project: {formula:Hf2Ag3F14,spaceGroup:C2/m,id:mp-28550} |
| RD_172852821380_000 | computation | Reference Data From Materials Project: {formula:KAg3Se2,spaceGroup:C2/m,id:mp-9782} |
| RD_172925611020_000 | computation | Reference Data From Materials Project: {formula:SmMgAg2,spaceGroup:Fm-3m,id:mp-867862} |
| RD_172948579815_000 | computation | Reference Data From Materials Project: {formula:InAg(PSe3)2,spaceGroup:P-31c,id:mp-20902} |
| RD_174228918867_000 | computation | Reference Data From Materials Project: {formula:GdAg2,spaceGroup:I4/mmm,id:mp-19783} |
| RD_174248613021_000 | computation | AgBa in AFLOW crystal prototype A5B_hP6_191_cg_a (CaCu5). 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_174446800513_000 | computation | Reference Data From Materials Project: {formula:Na8Al11Si13(AgO16)3,spaceGroup:P1,id:mp-690919} |
| RD_174511007328_000 | computation | AgNOS in AFLOW crystal prototype A3BC3D_cP32_198_b_a_b_a. 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_174632815537_000 | computation | AgAsZn in AFLOW crystal prototype ABC_cF12_216_c_a_b (Half-Heusler). 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_175961466170_000 | computation | Reference Data From Materials Project: {formula:LaAgPb,spaceGroup:P6_3mc,id:mp-13406} |
| RD_175966165485_000 | computation | AgN in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). 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_176005642248_000 | computation | AgCuS in AFLOW crystal prototype A3BC2_tI48_88_cf_e_f. 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_176026488952_000 | computation | Reference Data From Materials Project: {formula:LiAgF2,spaceGroup:Ccmm,id:mp-758302} |
| RD_176083165376_000 | computation | AgCO in AFLOW crystal prototype ABC2_mP16_14_e_e_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_176092205480_000 | computation | Reference Data From Materials Project: {formula:Pm2AgPt,spaceGroup:Fm-3m,id:mp-862989} |
| RD_176576379002_000 | computation | AgFSeSr in AFLOW crystal prototype ABCD_tP8_129_b_a_c_c (LaOAgS). 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_176594730595_000 | computation | AgInSSi in AFLOW crystal prototype A2B2C6D_mC44_9_2a_2a_6a_a. 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_176685414135_000 | computation | AgInS in AFLOW crystal prototype ABC2_oP16_33_a_a_2a (metal-oxide; Ga1Li1O2, ICSD #18152). 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_176964636390_000 | computation | Reference Data From Materials Project: {formula:AcAg,spaceGroup:Pm-3m,id:mp-866199} |
| RD_177216242314_000 | computation | AgInTe in AFLOW crystal prototype ABC2_tI16_122_a_b_d (Chalcopyrite). 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_177228252296_000 | computation | AgCdOV in AFLOW crystal prototype ABC4D_oP28_62_c_a_2cd_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': 2} |
| RD_177235775158_000 | computation | Reference Data From Materials Project: {formula:AgSb(S8F3)2,spaceGroup:C2/c,id:mp-559602} |
| RD_177381093213_000 | computation | Reference Data From Materials Project: {formula:VAg2(PO4)2,spaceGroup:P2_1/c,id:mp-19478} |
| RD_178108832072_000 | computation | Reference Data From Materials Project: {formula:La3AgSnSe7,spaceGroup:P6_3,id:mp-17155} |
| RD_179493890901_000 | computation | Reference Data From Materials Project: {formula:RbAgF3,spaceGroup:I4/mcm,id:mp-7767} |
| RD_179669657337_000 | computation | Reference Data From Materials Project: {formula:CsAg2AsS3,spaceGroup:P2_1/c,id:mp-866615} |
| RD_179845575947_000 | computation | Reference Data From Materials Project: {formula:ThInAg2,spaceGroup:Fm-3m,id:mp-862932} |
| RD_179876641129_000 | computation | Reference Data From Materials Project: {formula:GaAg2,spaceGroup:P-62m,id:mp-578} |
| RD_180214774361_000 | computation | AgCeKTe in AFLOW crystal prototype A3BC2D4_oP40_62_3c_c_2c_4c. 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_180421110430_000 | computation | Reference Data From Materials Project: {formula:Si(AgO)4,spaceGroup:P4_2/n,id:mp-556164} |
| RD_180503386196_000 | computation | AgInOP in AFLOW crystal prototype A3BC8D2_mC28_12_ai_c_2ij_i. 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_180775754065_000 | computation | Reference Data From Materials Project: {formula:HoCdAg2,spaceGroup:Fm-3m,id:mp-864904} |
| RD_180883228786_000 | computation | AgGa in AFLOW crystal prototype A2B_hP9_189_fg_ad. 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_181028169980_000 | computation | AgClCs in AFLOW crystal prototype AB2C_tP8_129_c_ac_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': 2} |
| RD_181148953220_000 | computation | Reference Data From Materials Project: {formula:Sc2AgAu,spaceGroup:Fm-3m,id:mp-862703} |
| RD_181278611548_000 | computation | Reference Data From Materials Project: {formula:AgBr,spaceGroup:Fm-3m,id:mp-23231} |
| RD_181458090856_000 | computation | Reference Data From Materials Project: {formula:Li2AgF3,spaceGroup:Pnam,id:mp-752793} |
| RD_182905004529_000 | computation | Reference Data From Materials Project: {formula:LiAlAg2,spaceGroup:Fm-3m,id:mp-11947} |
| RD_182965553230_000 | computation | Reference Data From Materials Project: {formula:Cu6AgBi12PbS22,spaceGroup:P2_1/m,id:mp-651706} |
| RD_183144283212_000 | computation | Ag 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_183621295181_000 | computation | Reference Data From Materials Project: {formula:AgCl,spaceGroup:Fm-3m,id:mp-22922} |
| RD_183768769303_000 | computation | AgBiO in AFLOW crystal prototype ABC3_hR10_148_c_c_f (metal-oxide; Cd1O3Ti1, ICSD #15989). 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_183769536467_000 | computation | AgOP in AFLOW crystal prototype A3B4C_cP16_218_c_e_a (Ag3). 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_183875481637_000 | computation | AgO in AFLOW crystal prototype A3B4_mP14_14_ae_2e (metal-oxide; Ag3O4, ICSD #59225). 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_183977727116_000 | computation | AgAsS in AFLOW crystal prototype ABC2_hR24_148_f_f_2f. 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_184074976755_000 | computation | Reference Data From Materials Project: {formula:CeAgHg2,spaceGroup:Fm-3m,id:mp-865885} |
| RD_184509787894_000 | computation | Reference Data From Materials Project: {formula:KAg2PS4,spaceGroup:I-42m,id:mp-12532} |
| RD_184716092066_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ag, hcp Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-10597) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_184771359278_000 | computation | Reference Data From Materials Project: {formula:RbAg4I5,spaceGroup:P1,id:mp-676391} |
| RD_184864120861_000 | computation | AgHNiOP in AFLOW crystal prototype AB2C3D12E3_mC84_15_e_f_ef_6f_ef. 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_185096053054_000 | computation | AgLaOS in AFLOW crystal prototype ABCD_tP8_129_b_c_a_c (LaOAgS). 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_185590468196_000 | computation | AgLi 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_186199460954_000 | computation | AgBaSeY in AFLOW crystal prototype ABC3D_oC24_63_c_c_cf_a. 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_186370582608_000 | computation | AgIOPd in AFLOW crystal prototype AB3C9D_aP28_2_i_3i_9i_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_186445955268_000 | computation | Reference Data From Materials Project: {formula:ErAg(PSe3)2,spaceGroup:P-31c,id:mp-13384} |
| RD_186723874185_000 | computation | AgHf in AFLOW crystal prototype AB_tP4_129_c_c (gamma-CuTi). 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_186948018604_000 | computation | Reference Data From Materials Project: {formula:Ag2H21N7(ClO4)2,spaceGroup:P1,id:mp-686742} |
| RD_187321193120_000 | computation | AgAsSe in AFLOW crystal prototype ABC2_hR4_166_a_b_c (AlLiO2 ternary oxide (R. Friedrich), ICSD #28288). 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_187640958205_000 | computation | Reference Data From Materials Project: {formula:Tb5AgS8,spaceGroup:I-4,id:mp-33449} |
| RD_188056444239_000 | computation | AgAsS in AFLOW crystal prototype A3BC3_hR14_161_b_a_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_188230571195_000 | computation | AgCO in AFLOW crystal prototype A2BC3_mP12_11_f_e_ef. 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_188260133268_000 | computation | Reference Data From Materials Project: {formula:LiAg5F12,spaceGroup:Cmmm,id:mp-753279} |
| RD_188297293110_000 | computation | Reference Data From Materials Project: {formula:Ag5Te2Cl,spaceGroup:P2_1/c,id:mp-569467} |
| RD_188525038577_000 | computation | AgOSi in AFLOW crystal prototype A6B7C2_mC90_12_i4j_a4i3j_3i. 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_189256425938_000 | computation | Reference Data From Materials Project: {formula:Ag8S,spaceGroup:F-43m,id:mp-28963} |
| RD_189281386950_000 | computation | AgCrOTl in AFLOW crystal prototype AB4C14D3_mC88_15_e_2f_7f_ef. 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_189829116488_000 | computation | Reference Data From Materials Project: {formula:AgP2H8SN7O2,spaceGroup:P2_1/c,id:mp-696992} |
| RD_190191202430_000 | computation | Reference Data From Materials Project: {formula:MgZnAg2,spaceGroup:Fm-3m,id:mp-11236} |
| RD_190328398648_000 | computation | Reference Data From Materials Project: {formula:YMgAg,spaceGroup:P-62m,id:mp-30737} |
| RD_190563297709_000 | computation | AgInPr in AFLOW crystal prototype A2BC_cF16_225_c_a_b (Heusler). 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_190606372532_000 | computation | Reference Data From Materials Project: {formula:K2NaAg3(CN)6,spaceGroup:P-31m,id:mp-6855} |
| RD_190952507885_000 | computation | Reference Data From Materials Project: {formula:HoAlAg2,spaceGroup:Fm-3m,id:mp-861934} |
| RD_191095683212_000 | computation | AgClO in AFLOW crystal prototype ABC2_oC16_67_g_g_m. 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_191731302430_000 | computation | AgGaO in AFLOW crystal prototype ABC2_hP8_194_c_a_f (metal-oxide; Ag1Fe1O2, ICSD #2786). 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_191772872577_000 | computation | Reference Data From Materials Project: {formula:RbCdAg3(CN)6,spaceGroup:P312,id:mp-568978} |
| RD_192418905589_000 | computation | Reference Data From Materials Project: {formula:Sc2AgIr,spaceGroup:Fm-3m,id:mp-862432} |
| RD_192743720256_000 | computation | AgSSn in AFLOW crystal prototype A4B8C3_cP60_213_ad_ce_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_193528064099_000 | computation | Reference Data From Materials Project: {formula:Ce3SiAgS7,spaceGroup:P6_3,id:mp-866605} |
| RD_193586338276_000 | computation | AgOSb in AFLOW crystal prototype AB3C_hR10_148_c_f_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': 2} |
| RD_193835855187_000 | computation | Reference Data From Materials Project: {formula:AgBH2OF4,spaceGroup:Pcab,id:mp-24058} |
| RD_193884288941_000 | computation | AgAsPr in AFLOW crystal prototype AB2C_oP16_62_c_2c_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': 2} |
| RD_194265993078_000 | computation | AgNO in AFLOW crystal prototype ABC3_hR5_160_a_a_b (gamma-Potassium Nitrate (KNO3)). 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_194282935031_000 | computation | Reference Data From Materials Project: {formula:AgAsC4S8(N2F3)2,spaceGroup:P-4,id:mp-554710} |
| RD_194495536134_000 | computation | AgFHIO in AFLOW crystal prototype A2BC2DE_mP14_4_2a_a_2a_a_a. 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_194742003682_000 | computation | AgCNS in AFLOW crystal prototype ABCD_mC32_15_f_f_f_f. 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_195443216631_000 | computation | Reference Data From Materials Project: {formula:GaAgO2,spaceGroup:P6_3/mmc,id:mp-11020} |
| RD_195453967106_000 | computation | Reference Data From Materials Project: {formula:DyAgGe,spaceGroup:P-62m,id:mp-21045} |
| RD_195572545220_000 | computation | AgORb in AFLOW crystal prototype ABC_cF12_216_a_c_b (Half-Heusler). 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_195795665632_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_196077001313_000 | computation | Reference Data From Materials Project: {formula:LiAgF3,spaceGroup:Cmmm,id:mp-752699} |
| RD_196096334276_000 | computation | AgMnSSb in AFLOW crystal prototype A4BC6D2_mP26_14_2e_a_3e_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_196504366935_000 | computation | Reference Data From Materials Project: {formula:LiAlAg2,spaceGroup:Fm-3m,id:mp-11947} |
| RD_196757359620_000 | computation | AgGdIn in AFLOW crystal prototype A2BC_cF16_225_c_a_b (Heusler). 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_197103234653_000 | computation | AgN in AFLOW crystal prototype AB3_tI16_140_a_dh (metal-nitride; Ag1N3, ICSD #183201). 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_197178685109_000 | computation | Reference Data From Materials Project: {formula:K2Ag4Pt3(NO2)12,spaceGroup:P2_1/c,id:mp-557863} |
| RD_197373123186_000 | computation | AgClO in AFLOW crystal prototype ABC4_tI12_121_a_b_i. 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_197673171919_000 | computation | Reference Data From Materials Project: {formula:FeAgO2,spaceGroup:P6_3/mmc,id:mp-18966} |
| RD_197735829176_000 | computation | Reference Data From Materials Project: {formula:ScAgO2,spaceGroup:P6_3/mmc,id:mp-11022} |
| RD_197793339960_000 | computation | AgCaSb in AFLOW crystal prototype ABC_oP12_62_c_c_c (metallic; Ca1Mg1Sn1, ICSD #42757). 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_197810637543_000 | computation | AgGdSi in AFLOW crystal prototype ABC_hP9_189_f_g_bc (metallic; Mg1Sn1Yb1, ICSD #54344). 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_198072511676_000 | computation | Reference Data From Materials Project: {formula:CrAgSe2,spaceGroup:R3m,id:mp-3532} |
| RD_198378406049_000 | computation | AgInS in AFLOW crystal prototype ABC2_tI16_122_a_b_d (Chalcopyrite). 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_198388678051_000 | computation | Reference Data From Materials Project: {formula:KNpAgS3,spaceGroup:Cmcm,id:mp-865937} |
| RD_198456770377_000 | computation | Reference Data From Materials Project: {formula:NaAg2,spaceGroup:Fd-3m,id:mp-30352} |
| RD_198953596721_000 | computation | Reference Data From Materials Project: {formula:Ag(W3Br7)2,spaceGroup:Pn3,id:mp-29717} |
| RD_199239485936_000 | computation | Reference Data From Materials Project: {formula:Li2AgSb,spaceGroup:F-43m,id:mp-16238} |
| RD_199435686093_000 | computation | Reference Data From Materials Project: {formula:AgI,spaceGroup:Pm-3m,id:mp-22915} |
| RD_200053004321_000 | computation | AgAuF in AFLOW crystal prototype ABC4_tI24_140_a_d_l. 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_200127053461_000 | computation | AgGaS in AFLOW crystal prototype ABC2_tI16_122_a_b_d (metal carbo-nitride; C1Mg1N2, ICSD #44110). 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_200893243106_000 | computation | Reference Data From Materials Project: {formula:LaCdAg2,spaceGroup:Fm-3m,id:mp-867225} |
| RD_200988753528_000 | computation | Reference Data From Materials Project: {formula:DyAgHg2,spaceGroup:Fm-3m,id:mp-867898} |
| RD_201043858285_000 | computation | Reference Data From Materials Project: {formula:ZnAg(PO3)3,spaceGroup:Pcaa,id:mp-14260} |
| RD_201162152421_000 | computation | Reference Data From Materials Project: {formula:Al11AgO17,spaceGroup:Cmcm,id:mp-766293} |
| RD_201162209260_000 | computation | AgEu in AFLOW crystal prototype A5B_hP6_191_cg_a (CaCu5). 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_201191973758_000 | computation | Reference Data From Materials Project: {formula:Ag2NClO3,spaceGroup:Pmnb,id:mp-557303} |
| RD_201322862549_000 | computation | Reference Data From Materials Project: {formula:AgAsPbS3,spaceGroup:P2_1/c,id:mp-22665} |
| RD_201892372892_000 | computation | Reference Data From Materials Project: {formula:YMgAg,spaceGroup:P-62m,id:mp-30737} |
| RD_203110469943_000 | computation | Reference Data From Materials Project: {formula:GaAg(PSe3)2,spaceGroup:P-31c,id:mp-7008} |
| RD_203129861830_000 | computation | Reference Data From Materials Project: {formula:SmAgHg2,spaceGroup:Fm-3m,id:mp-867218} |
| RD_203491897158_000 | computation | Reference Data From Materials Project: {formula:ScAg(PS3)2,spaceGroup:P-31c,id:mp-8616} |
| RD_203569852725_000 | computation | Reference Data From Materials Project: {formula:Ag3Ge5P6,spaceGroup:I-43m,id:mp-17862} |
| RD_203888258755_000 | computation | Reference Data From Materials Project: {formula:FeAgO2,spaceGroup:P6_3/mmc,id:mp-18966} |
| RD_204133872280_000 | computation | AgDyIn in AFLOW crystal prototype A2BC_cF16_225_c_a_b (Heusler). 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_204294272994_000 | computation | AgCsSe in AFLOW crystal prototype A5BC3_tP36_136_g2i_f_fi. 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_204336828727_000 | computation | AgOPZn in AFLOW crystal prototype A2B7C2D_tP48_136_fg_ejk_j_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_205089980870_000 | computation | Reference Data From Materials Project: {formula:Tm2TlAg,spaceGroup:Fm-3m,id:mp-866120} |
| RD_205651309274_000 | computation | AgOPPb in AFLOW crystal prototype A2B7C2D_aP24_2_2i_7i_2i_i. 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_205795616811_000 | computation | Reference Data From Materials Project: {formula:Ag5(PbO3)2,spaceGroup:P31m,id:mp-555565} |
| RD_205819523023_000 | computation | Reference Data From Materials Project: {formula:Li2AgSn,spaceGroup:Fm-3m,id:mp-30350} |
| RD_206350166939_000 | computation | AgBaFTe in AFLOW crystal prototype ABCD_tP8_129_b_c_a_c (LaOAgS). 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_206450946698_000 | computation | Reference Data From Materials Project: {formula:CuAgO2,spaceGroup:C2/m,id:mp-7237} |
| RD_206491198335_000 | computation | Reference Data From Materials Project: {formula:YbPmAg2,spaceGroup:Fm-3m,id:mp-865896} |
| RD_206577426308_000 | computation | AgO in AFLOW crystal prototype A2B3_cP10_224_b_d (metal-oxide; Ag2O3, ICSD #15999). 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_206580262088_000 | computation | AgCeSSi in AFLOW crystal prototype AB3C7D_hP24_173_a_c_b2c_b (La3CuSiS7). 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_206623779775_000 | computation | AgF in AFLOW crystal prototype A2B_hP3_164_d_a. 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_206798740410_000 | computation | Reference Data From Materials Project: {formula:Pr5AgSe8,spaceGroup:I-4,id:mp-35264} |
| RD_206872142624_000 | computation | Reference Data From Materials Project: {formula:GaAg(PSe3)2,spaceGroup:P-31c,id:mp-7008} |
| RD_207233342575_000 | computation | Reference Data From Materials Project: {formula:Sc2InAg,spaceGroup:Fm-3m,id:mp-862337} |
| RD_207645133445_000 | computation | Reference Data From Materials Project: {formula:ErAgSn,spaceGroup:P6_3mc,id:mp-569724} |
| RD_208426103312_000 | computation | AgSbTe in AFLOW crystal prototype ABC2_cF64_227_c_d_e (metal-oxide; Li1O2Ti1, ICSD #48128). 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_208682958502_000 | computation | Reference Data From Materials Project: {formula:TaAgS3,spaceGroup:Cmc2_1,id:mp-561242} |
| RD_209236538019_000 | computation | AgS in AFLOW crystal prototype A2B_mP6_4_2a_a. 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_209330854372_000 | computation | Reference Data From Materials Project: {formula:HoAgSn,spaceGroup:P6_3mc,id:mp-4311} |
| RD_209349272194_000 | computation | AgIn 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_209357182361_000 | computation | AgO in AFLOW crystal prototype A2B_cP6_224_b_a (Cuprite). 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_209463901897_000 | computation | Reference Data From Materials Project: {formula:LiAgF3,spaceGroup:P-1,id:mp-757915} |
| RD_210050671286_000 | computation | Reference Data From Materials Project: {formula:Cd8Ag5,spaceGroup:I-43m,id:mp-567857} |
| RD_210253596872_000 | computation | Reference Data From Materials Project: {formula:DyAlAg2,spaceGroup:Fm-3m,id:mp-862263} |
| RD_210457568550_000 | computation | Reference Data From Materials Project: {formula:YbInAg2,spaceGroup:Fm-3m,id:mp-865789} |
| RD_210535037002_000 | computation | Reference Data From Materials Project: {formula:YMgAg,spaceGroup:P-62m,id:mp-30737} |
| RD_210870564724_000 | computation | Reference Data From Materials Project: {formula:La5AgSe8,spaceGroup:I-4,id:mp-33775} |
| RD_211385933274_000 | computation | Reference Data From Materials Project: {formula:EuAg2Sn,spaceGroup:Fm-3m,id:mp-865192} |
| RD_211543378282_000 | computation | AgInSe in AFLOW crystal prototype AB5C8_tP14_111_a_bm_2n. 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_212463506436_000 | computation | AgAsCuO in AFLOW crystal prototype AB3C4D12_mC80_15_e_ef_2ef_6f. 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_212549143955_000 | computation | AgCaSi in AFLOW crystal prototype AB2C3_oF48_69_g_fh_gn. 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_212719694698_000 | computation | AgClFMoO in AFLOW crystal prototype A6BC3D2E7_hP19_156_2d_b_d_ac_a2d. 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_213271795571_000 | computation | Reference Data From Materials Project: {formula:AgPS3,spaceGroup:C2/m,id:mp-5470} |
| RD_214362894445_000 | computation | Reference Data From Materials Project: {formula:Ce3(AgSn)4,spaceGroup:Immm,id:mp-542824} |
| RD_215012970184_000 | computation | Reference Data From Materials Project: {formula:SiAg6SO8,spaceGroup:I4_1/amd,id:mp-555015} |
| RD_215146622991_000 | computation | AgOPV in AFLOW crystal prototype A2B8C2D_mP52_14_2e_8e_2e_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_215434363128_000 | computation | Reference Data From Materials Project: {formula:RbAg4I5,spaceGroup:P1,id:mp-676206} |
| RD_215532418878_000 | computation | Reference Data From Materials Project: {formula:Mg30Al24Ag19,spaceGroup:Pm3,id:mp-570806} |
| RD_215760379075_000 | computation | Reference Data From Materials Project: {formula:AgAu3,spaceGroup:Pm-3m,id:mp-867303} |
| RD_216541585254_000 | computation | Reference Data From Materials Project: {formula:PrAg2,spaceGroup:P6/mmm,id:mp-568654} |
| RD_217138367459_000 | computation | AgSm 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_217497301041_000 | computation | Reference Data From Materials Project: {formula:InAgS2,spaceGroup:P3m1,id:mp-676113} |
| RD_217797646551_000 | computation | AgPr in AFLOW crystal prototype A2B_oI12_74_h_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_218622315219_000 | computation | Reference Data From Materials Project: {formula:In2Si(AgSe3)2,spaceGroup:Cc,id:mp-640614} |
| RD_218779871372_000 | computation | Reference Data From Materials Project: {formula:Ag,spaceGroup:Fm-3m,id:mp-124} |
| RD_218914621165_000 | computation | AgI 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': 2} |
| RD_219133961189_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_219357719716_000 | computation | Reference Data From Materials Project: {formula:Dy2AgOs,spaceGroup:Fm-3m,id:mp-864977} |
| RD_219976791433_000 | computation | Reference Data From Materials Project: {formula:LiInAg2,spaceGroup:Fm-3m,id:mp-567787} |
| RD_220001428830_000 | computation | Reference Data From Materials Project: {formula:LaCdAg2,spaceGroup:Fm-3m,id:mp-867225} |
| RD_220018089075_000 | computation | AgMoO in AFLOW crystal prototype A2BC4_cF56_227_c_b_e (MoNa2O4, ICSD #151970). 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_220216576326_000 | computation | Reference Data From Materials Project: {formula:Ag(Bi2S3)3,spaceGroup:C2/m,id:mp-558796} |
| RD_220232753384_000 | computation | AgPPt in AFLOW crystal prototype ABC5_tP7_123_c_b_ai. 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_220439976357_000 | computation | AgPScSe in AFLOW crystal prototype AB2CD6_hP20_163_c_f_a_i. 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_220912884049_000 | computation | Reference Data From Materials Project: {formula:Ag5(Sn3S8)2,spaceGroup:C222_1,id:mp-530464} |
| RD_221017991284_000 | computation | Reference Data From Materials Project: {formula:Cs2KAgF6,spaceGroup:Fm-3m,id:mp-13687} |
| RD_221174326507_000 | computation | AgPt 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_221262361036_000 | computation | AgHfS in AFLOW crystal prototype A2BC3_oC48_64_ef_d_fg. 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_221694801094_000 | computation | AgGeS in AFLOW crystal prototype A8BC6_oP60_33_8a_a_6a. 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_221849386790_000 | computation | Reference Data From Materials Project: {formula:Li2AgF5,spaceGroup:P2_1/c,id:mp-758554} |
| RD_222524054270_000 | computation | AgCdCe in AFLOW crystal prototype AB2C_cF16_225_a_c_b (Heusler). 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_222645446038_000 | computation | Reference Data From Materials Project: {formula:AgH9C7S2(OF)4,spaceGroup:P-1,id:mp-555250} |
| RD_222891139122_000 | computation | Reference Data From Materials Project: {formula:Mg2AgPt,spaceGroup:Fm-3m,id:mp-864932} |
| RD_223049217889_000 | computation | AgSSbTl in AFLOW crystal prototype A3B6C2D3_mP56_14_3e_6e_2e_3e. 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_223436199496_000 | computation | Reference Data From Materials Project: {formula:Sm5AgSe8,spaceGroup:I-4,id:mp-38805} |
| RD_223545805093_000 | computation | Reference Data From Materials Project: {formula:SmMgAg2,spaceGroup:Fm-3m,id:mp-867862} |
| RD_223749194203_000 | computation | Reference Data From Materials Project: {formula:MgGaAg2,spaceGroup:Fm-3m,id:mp-865183} |
| RD_223873824853_000 | computation | AgGeO in AFLOW crystal prototype A2BC3_oP24_19_2a_a_3a. 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_224672841078_000 | computation | AgRbSeTi in AFLOW crystal prototype AB5C27D6_hP78_159_a_2bc_9c_2c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_224800792233_000 | computation | AgCuU in AFLOW crystal prototype AB4C_cF24_216_a_e_c (metallic; In1Ni4Zr1, ICSD #59462). 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_225005048013_000 | computation | Reference Data From Materials Project: {formula:Ag5(PbO3)2,spaceGroup:P31m,id:mp-555565} |
| RD_225139879350_000 | computation | Reference Data From Materials Project: {formula:CoAg3(CN)6,spaceGroup:P-31m,id:mp-6573} |
| RD_225417010743_000 | computation | AgDySn in AFLOW crystal prototype ABC_hP6_186_b_a_b (metallic; Au1Pr1Sn1, ICSD #54997). 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_225693049550_000 | computation | AgAsSe in AFLOW crystal prototype ABC_oP12_62_c_c_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': 2} |
| RD_225697201224_000 | computation | Reference Data From Materials Project: {formula:RbAg3S2,spaceGroup:C2/m,id:mp-20104} |
| RD_225732621639_000 | computation | Reference Data From Materials Project: {formula:TlAg3Te2,spaceGroup:Cmmm,id:mp-8925} |
| RD_225752894189_000 | computation | Ag 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_225805531426_000 | computation | AgRbSU in AFLOW crystal prototype ABC3D_oC24_63_c_c_cf_a. 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_225813733555_000 | computation | AgZn 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_225864035266_000 | computation | Reference Data From Materials Project: {formula:AgClO3,spaceGroup:I4/m,id:mp-27941} |
| RD_226579821005_000 | computation | Reference Data From Materials Project: {formula:AgTe4Au,spaceGroup:P2/c,id:mp-3291} |
| RD_226648425071_000 | computation | AgHgNO in AFLOW crystal prototype AB2CD5_oP36_62_c_d_c_3cd. 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_226786732905_000 | computation | Reference Data From Materials Project: {formula:AgH4WS4N,spaceGroup:I-4,id:mp-643431} |