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_861610111995_000 | computation | Reference Data From Materials Project: {formula:Mn2CdO4,spaceGroup:I4_1/amd,id:mp-18720} |
| RD_862101323406_000 | computation | CdTe 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_862154191899_000 | computation | Reference Data From Materials Project: {formula:CdHClO,spaceGroup:P6_3mc,id:mp-644222} |
| RD_862192754993_000 | computation | Reference Data From Materials Project: {formula:PrCdAg2,spaceGroup:Fm-3m,id:mp-862760} |
| RD_862347251780_000 | computation | Reference Data From Materials Project: {formula:K2CdN12,spaceGroup:C2/m,id:mp-27970} |
| RD_863082956906_000 | computation | Reference Data From Materials Project: {formula:Cd2Os2O7,spaceGroup:Fd-3m,id:mp-5950} |
| RD_863213659573_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571654} |
| RD_864028963249_000 | computation | Reference Data From Materials Project: {formula:CdFeO3,spaceGroup:Pbnm,id:mp-777146} |
| RD_864209808160_000 | computation | Reference Data From Materials Project: {formula:Al2Cd(Si5O12)2,spaceGroup:P1,id:mp-686541} |
| RD_864495019556_000 | computation | Reference Data From Materials Project: {formula:Lu2CdIn,spaceGroup:Fm-3m,id:mp-866211} |
| RD_865502200014_000 | computation | Reference Data From Materials Project: {formula:CdHg6(As2Br3)2,spaceGroup:Pa3,id:mp-567910} |
| RD_865696500798_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570511} |
| RD_866056733681_000 | computation | Reference Data From Materials Project: {formula:CdCu2(BO3)2,spaceGroup:P2_1/c,id:mp-560100} |
| RD_867050339921_000 | computation | CdS 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_867433020621_000 | computation | Reference Data From Materials Project: {formula:Ta2CdBi,spaceGroup:F-43m,id:mp-631451} |
| RD_867781645781_000 | computation | Reference Data From Materials Project: {formula:PrCd,spaceGroup:Pm-3m,id:mp-646} |
| RD_867937846176_000 | computation | Reference Data From Materials Project: {formula:Cd(Bi9O14)2,spaceGroup:P1,id:mp-676545} |
| RD_867944846299_000 | computation | Reference Data From Materials Project: {formula:LuMgCd2,spaceGroup:Fm-3m,id:mp-865223} |
| RD_868361043711_000 | computation | Reference Data From Materials Project: {formula:CdO,spaceGroup:Fm-3m,id:mp-1132} |
| RD_868427282584_000 | computation | Reference Data From Materials Project: {formula:Cr2CdS4,spaceGroup:Fd-3m,id:mp-4338} |
| RD_869013527080_000 | computation | Reference Data From Materials Project: {formula:CdS,spaceGroup:P6_3mc,id:mp-672} |
| RD_869268609094_000 | computation | CdS 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_869491661011_000 | computation | CdTe 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_870252886094_000 | computation | Reference Data From Materials Project: {formula:CdCu2,spaceGroup:P6_3/mmc,id:mp-568315} |
| RD_870611621023_000 | computation | Reference Data From Materials Project: {formula:AcCd3,spaceGroup:P6_3/mmc,id:mp-867890} |
| RD_870710619281_000 | computation | Reference Data From Materials Project: {formula:Rb2CdSiO4,spaceGroup:C222_1,id:mp-558568} |
| RD_871007040934_000 | computation | Reference Data From Materials Project: {formula:Cd(CoO2)2,spaceGroup:Fd-3m,id:mp-771736} |
| RD_872161051955_000 | computation | Reference Data From Materials Project: {formula:Yb2CdSe4,spaceGroup:Fd-3m,id:mp-8268} |
| RD_872392877885_000 | computation | Reference Data From Materials Project: {formula:GdCdHg2,spaceGroup:Fm-3m,id:mp-865745} |
| RD_872754899739_000 | computation | Reference Data From Materials Project: {formula:CdP4O11,spaceGroup:P-1,id:mp-772228} |
| RD_874764763502_000 | computation | Reference Data From Materials Project: {formula:Cd(SbO3)2,spaceGroup:P-31m,id:mp-8922} |
| RD_875393776950_000 | computation | Reference Data From Materials Project: {formula:LiCd2Rh,spaceGroup:Fm-3m,id:mp-867115} |
| RD_875467329779_000 | computation | Reference Data From Materials Project: {formula:SrCd,spaceGroup:Pm-3m,id:mp-30496} |
| RD_876615612085_000 | computation | CdS 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_876895870567_000 | computation | Reference Data From Materials Project: {formula:NaCd3,spaceGroup:Fm-3m,id:mp-865077} |
| RD_877090027907_000 | computation | Reference Data From Materials Project: {formula:Rb2CdCl4,spaceGroup:I4/mmm,id:mp-29873} |
| RD_877368196062_000 | computation | Reference Data From Materials Project: {formula:TlCdRh2,spaceGroup:Fm-3m,id:mp-866188} |
| RD_877756802185_000 | computation | Reference Data From Materials Project: {formula:NbCd3,spaceGroup:Pm-3m,id:mp-11309} |
| RD_877861185710_000 | computation | Reference Data From Materials Project: {formula:TbCd3,spaceGroup:Ccmm,id:mp-570403} |
| RD_878472442657_000 | computation | Reference Data From Materials Project: {formula:CeCd11,spaceGroup:Pm-3m,id:mp-640089} |
| RD_879185216165_000 | computation | Reference Data From Materials Project: {formula:PrCd2,spaceGroup:P6/mmm,id:mp-2324} |
| RD_879794108352_000 | computation | Reference Data From Materials Project: {formula:CdH10C3NCl3,spaceGroup:Pbnm,id:mp-867946} |
| RD_880155174290_000 | computation | Reference Data From Materials Project: {formula:LiCd2Au,spaceGroup:Fm-3m,id:mp-867160} |
| RD_880494522672_000 | computation | Reference Data From Materials Project: {formula:SmCdAu2,spaceGroup:Fm-3m,id:mp-867882} |
| RD_881022032170_000 | computation | Reference Data From Materials Project: {formula:KCdCu7Se2Cl9O8,spaceGroup:P6_3/mmc,id:mp-553914} |
| RD_881780408399_000 | computation | Reference Data From Materials Project: {formula:Cd2AgRh,spaceGroup:Fm-3m,id:mp-861878} |
| RD_881928501869_000 | computation | Reference Data From Materials Project: {formula:SmCd3,spaceGroup:Fm-3m,id:mp-867158} |
| RD_881964057084_000 | computation | Reference Data From Materials Project: {formula:CdH4CN2Cl2O,spaceGroup:P-1,id:mp-697033} |
| RD_882119470538_000 | computation | Reference Data From Materials Project: {formula:LiCd3,spaceGroup:P6_3/mmc,id:mp-865612} |
| RD_884363056736_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567359} |
| RD_885384390416_000 | computation | CdS 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_885553819213_000 | computation | Reference Data From Materials Project: {formula:CrCdO4,spaceGroup:Ccmm,id:mp-18781} |
| RD_885581484079_000 | computation | Reference Data From Materials Project: {formula:Cd(SbO3)2,spaceGroup:P-31m,id:mp-8922} |
| RD_885881187473_000 | computation | Reference Data From Materials Project: {formula:YbBaCdSb2,spaceGroup:Cmc2_1,id:mp-865143} |
| RD_886102563464_000 | computation | Reference Data From Materials Project: {formula:Ca9Cd4Bi9,spaceGroup:Pmcb,id:mp-30446} |
| RD_887059194694_000 | computation | Reference Data From Materials Project: {formula:TbCd3,spaceGroup:P6_3/mmc,id:mp-30498} |
| RD_888218360213_000 | computation | Reference Data From Materials Project: {formula:Cd2PbO4,spaceGroup:Pbam,id:mp-867731} |
| RD_888223023441_000 | computation | Reference Data From Materials Project: {formula:Cd(InTe2)2,spaceGroup:I-4,id:mp-21374} |
| RD_889035013354_000 | computation | Reference Data From Materials Project: {formula:K2Cd2(SO4)3,spaceGroup:P2_13,id:mp-6276} |
| RD_889439526801_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:P31m,id:mp-16886} |
| RD_889887657734_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-627557} |
| RD_890384475504_000 | computation | Reference Data From Materials Project: {formula:Li2CdGe,spaceGroup:Fm-3m,id:mp-10686} |
| RD_891401637274_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567259} |
| RD_891754005070_000 | computation | Reference Data From Materials Project: {formula:DyCdAg2,spaceGroup:Fm-3m,id:mp-867256} |
| RD_892716071097_000 | computation | Reference Data From Materials Project: {formula:K4CdCl6,spaceGroup:R-3c,id:mp-23392} |
| RD_892790267999_000 | computation | Reference Data From Materials Project: {formula:CdSeO4,spaceGroup:P2_1/c,id:mp-756703} |
| RD_892898339111_000 | computation | Reference Data From Materials Project: {formula:DyCd3,spaceGroup:Ccmm,id:mp-11295} |
| RD_894710763915_000 | computation | Reference Data From Materials Project: {formula:Na2CdO2,spaceGroup:C2,id:mp-758413} |
| RD_895067742314_000 | computation | Reference Data From Materials Project: {formula:EuTi2CdO6F,spaceGroup:Imma,id:mp-684730} |
| RD_895285124427_000 | computation | Reference Data From Materials Project: {formula:Ba2CdPb,spaceGroup:Fm-3m,id:mp-867333} |
| RD_895827969721_000 | computation | Reference Data From Materials Project: {formula:Li2MgCd,spaceGroup:Fm-3m,id:mp-866194} |
| RD_897168121488_000 | computation | Reference Data From Materials Project: {formula:CdCu2O3,spaceGroup:Pmmn,id:mp-754978} |
| RD_897192286114_000 | computation | Reference Data From Materials Project: {formula:DyCd2,spaceGroup:P6/mmm,id:mp-11294} |
| RD_898553908629_000 | computation | Reference Data From Materials Project: {formula:ZnCdC4(SN)4,spaceGroup:I-4,id:mp-541931} |
| RD_900299242041_000 | computation | Reference Data From Materials Project: {formula:Ba2CdReO6,spaceGroup:Fm-3m,id:mp-551702} |
| RD_901215836398_000 | computation | Reference Data From Materials Project: {formula:CdH9C3NCl3,spaceGroup:P6_3/m,id:mp-698392} |
| RD_901704372960_000 | computation | Reference Data From Materials Project: {formula:TiCdO3,spaceGroup:Pbnm,id:mp-14550} |
| RD_901868885855_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571583} |
| RD_901980508119_000 | computation | Reference Data From Materials Project: {formula:ThCdAg2,spaceGroup:Fm-3m,id:mp-867372} |
| RD_902756632299_000 | computation | Reference Data From Materials Project: {formula:CdAs2S18N12(OF2)6,spaceGroup:P-1,id:mp-557010} |
| RD_903360516529_000 | computation | Reference Data From Materials Project: {formula:Sr2CdWO6,spaceGroup:Fm-3m,id:mp-18903} |
| RD_904297767607_000 | computation | CdTe 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_905903243729_000 | computation | Reference Data From Materials Project: {formula:Ce2CdPd2,spaceGroup:P4/mbm,id:mp-11965} |
| RD_907951164304_000 | computation | Reference Data From Materials Project: {formula:Cd2Re2O7,spaceGroup:Fd-3m,id:mp-16783} |
| RD_907991634193_000 | computation | Reference Data From Materials Project: {formula:Cd2AsO4F,spaceGroup:C2/c,id:mp-541677} |
| RD_908029655324_000 | computation | Reference Data From Materials Project: {formula:DyCd,spaceGroup:Pm-3m,id:mp-770} |
| RD_908188604553_000 | computation | Reference Data From Materials Project: {formula:CdGeP2,spaceGroup:I-42d,id:mp-3668} |
| RD_908656107928_000 | computation | Reference Data From Materials Project: {formula:Cd(CN)2,spaceGroup:P4_2nm,id:mp-34656} |
| RD_908958545593_000 | computation | Reference Data From Materials Project: {formula:TiCdHg2,spaceGroup:P4/mmm,id:mp-11300} |
| RD_909541895607_000 | computation | Reference Data From Materials Project: {formula:Tl2Cd2(SO4)3,spaceGroup:P2_13,id:mp-6067} |
| RD_910115462692_000 | computation | Reference Data From Materials Project: {formula:Ca(CdP)2,spaceGroup:P-3m1,id:mp-9570} |
| RD_910515253889_000 | computation | Reference Data From Materials Project: {formula:VCdO3,spaceGroup:Pmcn,id:mp-566829} |
| RD_910774063182_000 | computation | Reference Data From Materials Project: {formula:Nd2CdNi2,spaceGroup:P4/mbm,id:mp-11991} |
| RD_910803382615_000 | computation | Reference Data From Materials Project: {formula:BaCd2,spaceGroup:Imma,id:mp-11266} |
| RD_910948004656_000 | computation | Reference Data From Materials Project: {formula:KCd13,spaceGroup:Fm-3c,id:mp-397} |
| RD_911018982393_000 | computation | Reference Data From Materials Project: {formula:CdCoH18N6Cl5,spaceGroup:Fd-3c,id:mp-24430} |
| RD_911327968979_000 | computation | Reference Data From Materials Project: {formula:Hf3Cd3AgF20,spaceGroup:P6_3/m,id:mp-554342} |
| RD_912013793904_000 | computation | Reference Data From Materials Project: {formula:TmCdHg2,spaceGroup:Fm-3m,id:mp-865983} |
| RD_912068583122_000 | computation | Reference Data From Materials Project: {formula:Cd2AgAu,spaceGroup:Fm-3m,id:mp-31170} |
| RD_912254328428_000 | computation | Reference Data From Materials Project: {formula:Yb2CdIn,spaceGroup:Fm-3m,id:mp-866175} |
| RD_912456406105_000 | computation | Reference Data From Materials Project: {formula:Er2CdSe4,spaceGroup:P3m1,id:mp-532294} |
| RD_912578845811_000 | computation | Reference Data From Materials Project: {formula:Cd3P2,spaceGroup:Pn-3m,id:mp-21185} |
| RD_913598840885_000 | computation | Reference Data From Materials Project: {formula:Ca2CdPb,spaceGroup:Fm-3m,id:mp-865167} |
| RD_914196647224_000 | computation | Reference Data From Materials Project: {formula:V2CdO4,spaceGroup:Fd-3m,id:mp-18847} |
| RD_914666839684_000 | computation | Reference Data From Materials Project: {formula:MnCd9O10,spaceGroup:P-1,id:mp-761360} |
| RD_915276317083_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567402} |
| RD_915416342732_000 | computation | CdS 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_915571453776_000 | computation | Reference Data From Materials Project: {formula:Cd(GaO2)2,spaceGroup:Fd-3m,id:mp-3443} |
| RD_915826268741_000 | computation | Reference Data From Materials Project: {formula:CdPd3,spaceGroup:I4/mmm,id:mp-865985} |
| RD_915856522376_000 | computation | Reference Data From Materials Project: {formula:CdP2H6O7,spaceGroup:P-1,id:mp-24407} |
| RD_917036674987_000 | computation | Reference Data From Materials Project: {formula:CaCdAu2,spaceGroup:Fm-3m,id:mp-866010} |
| RD_918237575090_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P6_3mc,id:mp-570089} |
| RD_920303305896_000 | computation | Reference Data From Materials Project: {formula:Tl2CdSnTe4,spaceGroup:I-42m,id:mp-570076} |
| RD_920588341096_000 | computation | Reference Data From Materials Project: {formula:YbCd3,spaceGroup:Fm-3m,id:mp-865366} |
| RD_921007534615_000 | computation | Reference Data From Materials Project: {formula:Cd2Ru(CN)6,spaceGroup:P-31m,id:mp-568373} |
| RD_921100434211_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570511} |
| RD_921355619177_000 | computation | Reference Data From Materials Project: {formula:Tm2CdOs,spaceGroup:Fm-3m,id:mp-865284} |
| RD_921357761908_000 | computation | Reference Data From Materials Project: {formula:Ti2CdO5,spaceGroup:Cmcm,id:mp-849246} |
| RD_921629608570_000 | computation | Reference Data From Materials Project: {formula:VCdO3,spaceGroup:Pbnm,id:mp-25131} |
| RD_925742039403_000 | computation | Reference Data From Materials Project: {formula:V2CdO6,spaceGroup:C2/m,id:mp-550436} |
| RD_925933476462_000 | computation | Reference Data From Materials Project: {formula:Yb2CdS4,spaceGroup:Fd-3m,id:mp-2959} |
| RD_925986018945_000 | computation | Reference Data From Materials Project: {formula:Sr2CdWO6,spaceGroup:Fm-3m,id:mp-18903} |
| RD_927409369783_000 | computation | Reference Data From Materials Project: {formula:Ti2CdC,spaceGroup:P6_3/mmc,id:mp-9961} |
| RD_929806495391_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:P4/mmm,id:mp-12581} |
| RD_932157049210_000 | computation | Reference Data From Materials Project: {formula:Ca2CdPb,spaceGroup:Fm-3m,id:mp-865167} |
| RD_933054167145_000 | computation | Reference Data From Materials Project: {formula:K6CdTe4,spaceGroup:P6_3mc,id:mp-17698} |
| RD_936289408360_000 | computation | Reference Data From Materials Project: {formula:Nb6Cd(Br8O9)2,spaceGroup:Fd-3m,id:mp-868020} |
| RD_937501567862_000 | computation | Reference Data From Materials Project: {formula:K2Cd(CN)4,spaceGroup:Fd-3m,id:mp-20623} |
| RD_938659211033_000 | computation | Reference Data From Materials Project: {formula:V2Cd(PO5)2,spaceGroup:P2_1/c,id:mp-19510} |
| RD_939004425405_000 | computation | CdSe 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_939423321334_000 | computation | Reference Data From Materials Project: {formula:PrCd3,spaceGroup:Fm-3m,id:mp-862755} |
| RD_939941610517_000 | computation | Reference Data From Materials Project: {formula:Dy2CdIn,spaceGroup:Fm-3m,id:mp-864973} |
| RD_940039336545_000 | computation | Reference Data From Materials Project: {formula:LaCdHg2,spaceGroup:Fm-3m,id:mp-862262} |
| RD_940414063273_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Cd, hcp Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-94) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_941125810688_000 | computation | Reference Data From Materials Project: {formula:Sc2TlCd,spaceGroup:Fm-3m,id:mp-861918} |
| RD_941347269800_000 | computation | Reference Data From Materials Project: {formula:CdS,spaceGroup:F-43m,id:mp-2469} |
| RD_941377332884_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-624400} |
| RD_941644674673_000 | computation | Reference Data From Materials Project: {formula:VCdCuO4,spaceGroup:Ccmm,id:mp-505424} |
| RD_941942523301_000 | computation | Reference Data From Materials Project: {formula:YCd3,spaceGroup:Fm-3m,id:mp-571059} |
| RD_942278007692_000 | computation | Reference Data From Materials Project: {formula:Li2MgCd,spaceGroup:Fm-3m,id:mp-866194} |
| RD_942687738905_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571613} |
| RD_942963109799_000 | computation | Reference Data From Materials Project: {formula:MgCdAg2,spaceGroup:Fm-3m,id:mp-30727} |
| RD_943372760535_000 | computation | Reference Data From Materials Project: {formula:Cd3P2,spaceGroup:P4_2/nmc,id:mp-2441} |
| RD_944235990246_000 | computation | Reference Data From Materials Project: {formula:Sr3CdIrO6,spaceGroup:R-3c,id:mp-15269} |
| RD_944752581098_000 | computation | Reference Data From Materials Project: {formula:DyCdPd2,spaceGroup:Fm-3m,id:mp-867276} |
| RD_945763739488_000 | computation | Reference Data From Materials Project: {formula:YbCdCu4,spaceGroup:F-43m,id:mp-12009} |
| RD_945924909004_000 | computation | Reference Data From Materials Project: {formula:Ba(CdP)2,spaceGroup:P-3m1,id:mp-8279} |
| RD_946356071516_000 | computation | Reference Data From Materials Project: {formula:CdRe2H8C2(N2O5)2,spaceGroup:P2_1/c,id:mp-733848} |
| RD_946580364392_000 | computation | Reference Data From Materials Project: {formula:YCdPd2,spaceGroup:Fm-3m,id:mp-865520} |
| RD_947613084433_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570939} |
| RD_947762771400_000 | computation | Reference Data From Materials Project: {formula:LiCd,spaceGroup:Fd-3m,id:mp-1437} |
| RD_948379695757_000 | computation | Reference Data From Materials Project: {formula:BaCdSb2,spaceGroup:I4/mmm,id:mp-30040} |
| RD_948748142327_000 | computation | Reference Data From Materials Project: {formula:CdAs2S2(OF3)4,spaceGroup:F2dd,id:mp-558288} |
| RD_949180472896_000 | computation | Reference Data From Materials Project: {formula:ErCd2Cu,spaceGroup:Ccmm,id:mp-11760} |
| RD_949342408990_000 | computation | Reference Data From Materials Project: {formula:PmCdAg2,spaceGroup:Fm-3m,id:mp-862889} |
| RD_949699146154_000 | computation | Reference Data From Materials Project: {formula:K2Cd2(SO4)3,spaceGroup:P2_12_12_1,id:mp-6724} |
| RD_950024779869_000 | computation | Reference Data From Materials Project: {formula:CdNiP,spaceGroup:F-43m,id:mp-631410} |
| RD_950259173399_000 | computation | Reference Data From Materials Project: {formula:Na2Cd(SiO3)2,spaceGroup:Pnm2_1,id:mp-555363} |
| RD_950603414629_000 | computation | Reference Data From Materials Project: {formula:TmMgCd2,spaceGroup:Fm-3m,id:mp-865227} |
| RD_951235286312_000 | computation | Reference Data From Materials Project: {formula:CdHgC4(SeN)4,spaceGroup:I-4,id:mp-542943} |
| RD_951410754555_000 | computation | CdS 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_951518454841_000 | computation | CdSe 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_952036603384_000 | computation | Reference Data From Materials Project: {formula:K2Cd2O3,spaceGroup:P2_1/c,id:mp-7534} |
| RD_953432320269_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571037} |
| RD_954885441673_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:P6_3mc,id:mp-12779} |
| RD_955056058683_000 | computation | Reference Data From Materials Project: {formula:CdInS2,spaceGroup:P-3m1,id:mp-20519} |
| RD_955442802043_000 | computation | Reference Data From Materials Project: {formula:Li2CdGeO4,spaceGroup:P2_1nm,id:mp-7688} |
| RD_956698178247_000 | computation | Reference Data From Materials Project: {formula:BaCdP2O7,spaceGroup:P-1,id:mp-6695} |
| RD_957407519397_000 | computation | Reference Data From Materials Project: {formula:TbCsCdTe3,spaceGroup:Cmcm,id:mp-12495} |
| RD_958395020163_000 | computation | Reference Data From Materials Project: {formula:CdSbAu,spaceGroup:F-43m,id:mp-16246} |
| RD_958471788866_000 | computation | Reference Data From Materials Project: {formula:CdCuF4,spaceGroup:I4/mcm,id:mp-9075} |
| RD_959295427566_000 | computation | Reference Data From Materials Project: {formula:CdCl2,spaceGroup:C2,id:mp-632403} |
| RD_959621165979_000 | computation | Reference Data From Materials Project: {formula:VCdBiO5,spaceGroup:Pc2_1n,id:mp-565870} |
| RD_959921778693_000 | computation | Reference Data From Materials Project: {formula:LaCdAu,spaceGroup:P-62m,id:mp-542251} |
| RD_960887639652_000 | computation | Reference Data From Materials Project: {formula:Cd2B2O5,spaceGroup:P-1,id:mp-7210} |
| RD_961174112814_000 | computation | Reference Data From Materials Project: {formula:CeCd,spaceGroup:Pm-3m,id:mp-183} |
| RD_964027535239_000 | computation | Reference Data From Materials Project: {formula:Ho2CdIn,spaceGroup:Fm-3m,id:mp-863651} |
| RD_964219721100_000 | computation | Reference Data From Materials Project: {formula:Cd2RhPt,spaceGroup:Fm-3m,id:mp-865929} |
| RD_964451582885_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-669358} |
| RD_964478818495_000 | computation | Reference Data From Materials Project: {formula:DyCdRh2,spaceGroup:Fm-3m,id:mp-867900} |
| RD_964853647435_000 | computation | Reference Data From Materials Project: {formula:YCd3,spaceGroup:Fm-3m,id:mp-571059} |
| RD_966107167917_000 | computation | Cd in AFLOW crystal prototype A_hP2_194_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_966121164472_000 | computation | Reference Data From Materials Project: {formula:CdP4,spaceGroup:P2_1/c,id:mp-7904} |
| RD_967575946904_000 | computation | Reference Data From Materials Project: {formula:Cd2(TeO3)3,spaceGroup:P2_1/c,id:mp-30941} |
| RD_967723265735_000 | computation | Reference Data From Materials Project: {formula:LuCd,spaceGroup:Pm-3m,id:mp-2217} |
| RD_967762240333_000 | computation | Reference Data From Materials Project: {formula:CdAgSb,spaceGroup:F-43m,id:mp-542065} |
| RD_967819974466_000 | computation | Reference Data From Materials Project: {formula:EuCdAu2,spaceGroup:Fm-3m,id:mp-866297} |
| RD_967829438300_000 | computation | Reference Data From Materials Project: {formula:Na2CdO3,spaceGroup:C2/m,id:mp-754782} |
| RD_967987414516_000 | computation | Reference Data From Materials Project: {formula:Yb2CdPd2,spaceGroup:P4/mbm,id:mp-4663} |
| RD_968303826336_000 | computation | Reference Data From Materials Project: {formula:Cd3(BO3)2,spaceGroup:Pnnm,id:mp-5560} |
| RD_968772350499_000 | computation | Reference Data From Materials Project: {formula:Y2CdS4,spaceGroup:Fd-3m,id:mp-35785} |
| RD_969376092024_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3SeO12,spaceGroup:P-43n,id:mp-16793} |
| RD_969506361412_000 | computation | Reference Data From Materials Project: {formula:Tb2Ba4Cd3S10,spaceGroup:Cmc2_1,id:mp-17513} |
| RD_970341491978_000 | computation | Reference Data From Materials Project: {formula:SmCd,spaceGroup:Pm-3m,id:mp-572} |
| RD_970530989204_000 | computation | Reference Data From Materials Project: {formula:Gd2TlCd,spaceGroup:Fm-3m,id:mp-866608} |
| RD_972216968666_000 | computation | Reference Data From Materials Project: {formula:Cd3(Pt3O4)10,spaceGroup:P2/m,id:mp-759817} |
| RD_972517023042_000 | computation | Reference Data From Materials Project: {formula:CsCdBr3,spaceGroup:Pm-3m,id:mp-570231} |
| RD_973789192362_000 | computation | CdTe 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_974736674675_000 | computation | Reference Data From Materials Project: {formula:AcCdAg2,spaceGroup:Fm-3m,id:mp-867338} |
| RD_975782620670_000 | computation | Reference Data From Materials Project: {formula:Sr5Cd3,spaceGroup:I4/mcm,id:mp-542484} |
| RD_976002510002_000 | computation | Reference Data From Materials Project: {formula:Sm2CdPd2,spaceGroup:P4/mbm,id:mp-12975} |
| RD_976056860496_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571613} |
| RD_977278305959_000 | computation | Reference Data From Materials Project: {formula:K2Cd3S4,spaceGroup:Pcmn,id:mp-18101} |
| RD_977517155368_000 | computation | CdS in AFLOW crystal prototype AB2_cP12_205_a_c (Pyrite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_977976043283_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571197} |
| RD_978128470483_000 | computation | Reference Data From Materials Project: {formula:Dy4CdRh,spaceGroup:F-43m,id:mp-570768} |
| RD_978787019127_000 | computation | Reference Data From Materials Project: {formula:La2TlCd,spaceGroup:Fm-3m,id:mp-867880} |
| RD_979077823957_000 | computation | Reference Data From Materials Project: {formula:TlCd(NO2)3,spaceGroup:Pm3,id:mp-22043} |
| RD_979145274527_000 | computation | Reference Data From Materials Project: {formula:CdH12C4Br3N,spaceGroup:P6_1,id:mp-567467} |
| RD_979921333401_000 | computation | Reference Data From Materials Project: {formula:PrCdHg2,spaceGroup:Fm-3m,id:mp-867177} |
| RD_979958709413_000 | computation | Reference Data From Materials Project: {formula:CdCoO3,spaceGroup:Pbnm,id:mp-761349} |
| RD_980798133013_000 | computation | Reference Data From Materials Project: {formula:CdIn2O4,spaceGroup:Imma,id:mp-675464} |
| RD_981167336065_000 | computation | Reference Data From Materials Project: {formula:CdO,spaceGroup:P6_3mc,id:mp-13119} |
| RD_981799928202_000 | computation | Reference Data From Materials Project: {formula:CdH16C4(NCl2)2,spaceGroup:Pcab,id:mp-568812} |
| RD_982157061927_000 | computation | Reference Data From Materials Project: {formula:CsErCdTe3,spaceGroup:Cmcm,id:mp-12488} |
| RD_982674723059_000 | computation | Reference Data From Materials Project: {formula:Cd4P2Br3,spaceGroup:Pa3,id:mp-28914} |
| RD_983521305728_000 | computation | Reference Data From Materials Project: {formula:CdFeC5N6O,spaceGroup:Pmcn,id:mp-558869} |
| RD_985259058575_000 | computation | CdTe 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_986071309282_000 | computation | CdS 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_986129181248_000 | computation | Reference Data From Materials Project: {formula:PrMgCd2,spaceGroup:Fm-3m,id:mp-867178} |
| RD_986342316133_000 | computation | Reference Data From Materials Project: {formula:RbCd13,spaceGroup:Fm-3c,id:mp-1040} |
| RD_988378962243_000 | computation | Reference Data From Materials Project: {formula:MnCd4O5,spaceGroup:P-1,id:mp-766943} |
| RD_988749235023_000 | computation | Reference Data From Materials Project: {formula:YCdHg2,spaceGroup:Fm-3m,id:mp-865525} |
| RD_988957210367_000 | computation | Reference Data From Materials Project: {formula:CdH4NCl3,spaceGroup:Pmnb,id:mp-24356} |
| RD_989554235702_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571535} |
| RD_990370618649_000 | computation | Reference Data From Materials Project: {formula:Ho4CdRh,spaceGroup:F-43m,id:mp-569478} |
| RD_991304857814_000 | computation | Reference Data From Materials Project: {formula:Cd2Ru2O7,spaceGroup:Fd-3m,id:mp-505552} |
| RD_991377289166_000 | computation | Reference Data From Materials Project: {formula:CsCdCl3,spaceGroup:Pm-3m,id:mp-568544} |
| RD_991766821141_000 | computation | Reference Data From Materials Project: {formula:CdH16C4(Br2N)2,spaceGroup:P2_1/c,id:mp-569847} |
| RD_992683590889_000 | computation | CdSe 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_992772797715_000 | computation | Reference Data From Materials Project: {formula:GdMgCd2,spaceGroup:Fm-3m,id:mp-865590} |
| RD_992934811521_000 | computation | Reference Data From Materials Project: {formula:CdBi3O7,spaceGroup:Cm,id:mp-34421} |
| RD_993158496418_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571607} |
| RD_993515074970_000 | computation | Reference Data From Materials Project: {formula:LiCdCoF6,spaceGroup:P-31c,id:mp-558057} |
| RD_993906264609_000 | computation | Reference Data From Materials Project: {formula:CsSmCdTe3,spaceGroup:Cmcm,id:mp-12497} |
| RD_994751076585_000 | computation | Reference Data From Materials Project: {formula:SrCdSi,spaceGroup:F-43m,id:mp-962076} |
| RD_996396573880_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570082} |
| RD_996924117786_000 | computation | Reference Data From Materials Project: {formula:EuCdPd,spaceGroup:Pmnb,id:mp-11090} |
| RD_997448637360_000 | computation | Reference Data From Materials Project: {formula:LuCdAg2,spaceGroup:Fm-3m,id:mp-865977} |
| RD_997714422229_000 | computation | Reference Data From Materials Project: {formula:CsLuCdTe3,spaceGroup:Cmcm,id:mp-12492} |
| RD_998519666783_000 | computation | Reference Data From Materials Project: {formula:Cd2GeO4,spaceGroup:Pcmn,id:mp-3917} |
| RD_998810642253_000 | computation | Reference Data From Materials Project: {formula:YCdHg2,spaceGroup:Fm-3m,id:mp-865525} |
| RD_999023443351_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680094} |
| RD_999103105922_000 | computation | Reference Data From Materials Project: {formula:YCd3,spaceGroup:Fm-3m,id:mp-571059} |
| RD_999647402040_000 | computation | Reference Data From Materials Project: {formula:Rb2Cd3H6S3O16,spaceGroup:Cmc2_1,id:mp-542567} |
| RD_999665983286_000 | computation | CdSe 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_999699214817_000 | computation | Reference Data From Materials Project: {formula:KCdF3,spaceGroup:Pnam,id:mp-9628} |
| Reference Data | Data Method | Description |
|---|---|---|
| RD_000169843298_000 | computation | Reference Data From Materials Project: {formula:Ce(NiSn)2,spaceGroup:I4/mmm,id:mp-22026} |
| RD_000423172938_000 | computation | Reference Data From Materials Project: {formula:Na2CeO3,spaceGroup:P4/mmm,id:mp-35404} |
| RD_001345673474_000 | computation | Reference Data From Materials Project: {formula:Ce4In8Ni7,spaceGroup:Cmmm,id:mp-580324} |
| RD_001375749482_000 | computation | Reference Data From Materials Project: {formula:Ce3SiCuSe7,spaceGroup:P6_3,id:mp-571472} |
| RD_001896034724_000 | computation | Reference Data From Materials Project: {formula:Ce3InC,spaceGroup:Pm-3m,id:mp-20992} |
| RD_002628474310_000 | computation | Reference Data From Materials Project: {formula:Li2CePb,spaceGroup:Fm-3m,id:mp-865932} |
| RD_002630382163_000 | computation | Reference Data From Materials Project: {formula:CeBi,spaceGroup:P4/mmm,id:mp-635471} |
| RD_003264330660_000 | computation | Reference Data From Materials Project: {formula:CeBi,spaceGroup:Fm-3m,id:mp-23285} |
| RD_004824272982_000 | computation | Reference Data From Materials Project: {formula:CeSiIr,spaceGroup:P2_13,id:mp-21441} |
| RD_006088265849_000 | computation | Reference Data From Materials Project: {formula:Ce3(CuGe)4,spaceGroup:Immm,id:mp-22623} |
| RD_009008680875_000 | computation | Reference Data From Materials Project: {formula:CeMgGa,spaceGroup:P-62m,id:mp-21375} |
| RD_009073043102_000 | computation | Reference Data From Materials Project: {formula:CsCeSiSe4,spaceGroup:P2_12_12_1,id:mp-573969} |
| RD_010993673133_000 | computation | Reference Data From Materials Project: {formula:NaCe4I7N2,spaceGroup:Pc2_1n,id:mp-646565} |
| RD_011575620128_000 | computation | Reference Data From Materials Project: {formula:Ce3Nd2O9,spaceGroup:I-4m2,id:mp-676077} |
| RD_012683993701_000 | computation | Reference Data From Materials Project: {formula:NaCeTl2,spaceGroup:Fm-3m,id:mp-865089} |
| RD_013209744909_000 | computation | Reference Data From Materials Project: {formula:CeBe13,spaceGroup:Fm-3c,id:mp-457} |
| RD_013740745196_000 | computation | Reference Data From Materials Project: {formula:Ce2MgCu2,spaceGroup:P4/mbm,id:mp-22810} |
| RD_014334099615_000 | computation | Reference Data From Materials Project: {formula:Ce3(CuSn)4,spaceGroup:Immm,id:mp-542881} |
| RD_015214783705_000 | computation | Reference Data From Materials Project: {formula:CeAlNi,spaceGroup:P-62m,id:mp-11351} |
| RD_015397779066_000 | computation | Reference Data From Materials Project: {formula:Ce3Y4O12,spaceGroup:Cm,id:mp-755046} |
| RD_015895415960_000 | computation | Reference Data From Materials Project: {formula:Ce,spaceGroup:Cmcm,id:mp-64} |
| RD_015991653267_000 | computation | Reference Data From Materials Project: {formula:Ba8Ce7YHO24,spaceGroup:P1,id:mp-695164} |
| RD_016027265609_000 | computation | Reference Data From Materials Project: {formula:Ce3NF6,spaceGroup:P1,id:mp-675921} |
| RD_016556341638_000 | computation | Reference Data From Materials Project: {formula:CeCd2,spaceGroup:P6/mmm,id:mp-866189} |
| RD_017808409419_000 | computation | Reference Data From Materials Project: {formula:CeBe13,spaceGroup:Fm-3c,id:mp-457} |
| RD_017825299573_000 | computation | Reference Data From Materials Project: {formula:Li2CeAs2,spaceGroup:P-3m1,id:mp-8152} |
| RD_018158701871_000 | computation | Reference Data From Materials Project: {formula:CeB2Ru3,spaceGroup:P6/mmm,id:mp-5940} |
| RD_018432003762_000 | computation | Reference Data From Materials Project: {formula:Ce2(Al5Ru)3,spaceGroup:P6_3/mcm,id:mp-567554} |
| RD_018593809169_000 | computation | CeO 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': 2} |
| RD_018885821247_000 | computation | Reference Data From Materials Project: {formula:Ce3Mn(Al3Cu)8,spaceGroup:Pm-3m,id:mp-669550} |
| RD_019617543999_000 | computation | Reference Data From Materials Project: {formula:CeZnGe,spaceGroup:P6_3/mmc,id:mp-19927} |
| RD_020159955560_000 | computation | Reference Data From Materials Project: {formula:Ce2Y2O7,spaceGroup:P1,id:mp-36699} |
| RD_020551351594_000 | computation | Reference Data From Materials Project: {formula:Ce(WO4)2,spaceGroup:C2/c,id:mp-779925} |
| RD_020752852607_000 | computation | Reference Data From Materials Project: {formula:CeCo2,spaceGroup:Fd-3m,id:mp-1112} |
| RD_020864189385_000 | computation | Reference Data From Materials Project: {formula:Ce5O9,spaceGroup:I-4,id:mp-760323} |
| RD_021577803647_000 | computation | Reference Data From Materials Project: {formula:CeTl3,spaceGroup:Pm-3m,id:mp-20603} |
| RD_021618341975_000 | computation | Reference Data From Materials Project: {formula:Ce3CCl5,spaceGroup:C2/c,id:mp-580802} |
| RD_021867777934_000 | computation | Reference Data From Materials Project: {formula:Ce3Co11B4,spaceGroup:P6/mmm,id:mp-13765} |
| RD_023617061962_000 | computation | Reference Data From Materials Project: {formula:BaCe2ZnS5,spaceGroup:I4/mcm,id:mp-16453} |
| RD_024878222543_000 | computation | Reference Data From Materials Project: {formula:Ce8Ni18P11,spaceGroup:P-6m2,id:mp-571125} |
| RD_025004036997_000 | computation | Ce 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_026410421659_000 | computation | Reference Data From Materials Project: {formula:CeCo5,spaceGroup:P6/mmm,id:mp-764} |
| RD_026645799123_000 | computation | Reference Data From Materials Project: {formula:KCeS2,spaceGroup:R-3m,id:mp-7329} |
| RD_029240117659_000 | computation | Reference Data From Materials Project: {formula:Ba2CePtO6,spaceGroup:Fm-3m,id:mp-21879} |
| RD_030312316159_000 | computation | Reference Data From Materials Project: {formula:CeNiGe2,spaceGroup:Cmcm,id:mp-3541} |
| RD_030620881337_000 | computation | Reference Data From Materials Project: {formula:TbCeO4,spaceGroup:F-43m,id:mp-777760} |
| RD_032053459934_000 | computation | Reference Data From Materials Project: {formula:Ce2Al16Pt9,spaceGroup:Immm,id:mp-570981} |
| RD_032380860462_000 | computation | Reference Data From Materials Project: {formula:CsCeCdSe3,spaceGroup:Cmcm,id:mp-574426} |
| RD_033023228378_000 | computation | Reference Data From Materials Project: {formula:Ce(NiAs)2,spaceGroup:I4/mmm,id:mp-21006} |
| RD_033424375289_000 | computation | Reference Data From Materials Project: {formula:CeBPt2,spaceGroup:P6_222,id:mp-10468} |
| RD_033541028839_000 | computation | Reference Data From Materials Project: {formula:CeZr6(PO4)9,spaceGroup:P-3c1,id:mp-555444} |
| RD_033803534823_000 | computation | Reference Data From Materials Project: {formula:Ce3Sn7,spaceGroup:Cmmm,id:mp-28416} |
| RD_034043328736_000 | computation | Reference Data From Materials Project: {formula:CeAgPb,spaceGroup:P6_3mc,id:mp-13407} |
| RD_035160672483_000 | computation | Reference Data From Materials Project: {formula:CeZr7O16,spaceGroup:Cm,id:mp-752983} |
| RD_035213691591_000 | computation | Reference Data From Materials Project: {formula:LiCe2HO3,spaceGroup:Immm,id:mp-24149} |
| RD_035513095882_000 | computation | Reference Data From Materials Project: {formula:Ce2UTe4,spaceGroup:I-42d,id:mp-676497} |
| RD_036574605240_000 | computation | Reference Data From Materials Project: {formula:Cs5CeNi2(NO2)12,spaceGroup:Pn3,id:mp-704975} |
| RD_037485725154_000 | computation | Reference Data From Materials Project: {formula:CeAl3,spaceGroup:P6_3/mmc,id:mp-567305} |
| RD_038311187832_000 | computation | Reference Data From Materials Project: {formula:CeTh3O8,spaceGroup:Cmmm,id:mp-753823} |
| RD_038439125291_000 | computation | Reference Data From Materials Project: {formula:Ce2SeO2,spaceGroup:P-3m1,id:mp-754640} |
| RD_038509532540_000 | computation | Reference Data From Materials Project: {formula:Ce2SbO2,spaceGroup:I4/mmm,id:mp-20356} |
| RD_038880282720_000 | computation | Reference Data From Materials Project: {formula:Ce3Th2O9,spaceGroup:Cm,id:mp-754058} |
| RD_039326999188_000 | computation | Reference Data From Materials Project: {formula:CeReO4,spaceGroup:P2_1/c,id:mp-769239} |
| RD_039964590606_000 | computation | Reference Data From Materials Project: {formula:CeGe3Ir,spaceGroup:I4mm,id:mp-13122} |
| RD_041307993404_000 | computation | Reference Data From Materials Project: {formula:Ce2Zr2O7,spaceGroup:Fd-3m,id:mp-560329} |
| RD_042436507286_000 | computation | Reference Data From Materials Project: {formula:Ce4YO9,spaceGroup:Im2m,id:mp-773102} |
| RD_042882991538_000 | computation | Reference Data From Materials Project: {formula:CeSiO4,spaceGroup:I4_1/amd,id:mp-10523} |
| RD_044801437676_000 | computation | Reference Data From Materials Project: {formula:CeCO3F,spaceGroup:P-62c,id:mp-20288} |
| RD_045193900955_000 | computation | Reference Data From Materials Project: {formula:Ce,spaceGroup:P6_3/mmc,id:mp-20736} |
| RD_045482974008_000 | computation | Reference Data From Materials Project: {formula:CeNiO3,spaceGroup:Pbnm,id:mp-777024} |
| RD_045941457231_000 | computation | Reference Data From Materials Project: {formula:Ce(CoP)2,spaceGroup:I4/mmm,id:mp-5820} |
| RD_046426450603_000 | computation | Reference Data From Materials Project: {formula:CsCeHgSe3,spaceGroup:Cmcm,id:mp-574472} |
| RD_046751057956_000 | computation | Reference Data From Materials Project: {formula:Ce(Ni5P2)2,spaceGroup:Pmnb,id:mp-582274} |
| RD_046757650095_000 | computation | Reference Data From Materials Project: {formula:Ce2P3Au,spaceGroup:Pmnb,id:mp-628664} |
| RD_047891919010_000 | computation | Reference Data From Materials Project: {formula:CeCdAu,spaceGroup:P-62m,id:mp-11082} |
| RD_048097140672_000 | computation | Reference Data From Materials Project: {formula:Ce3CI5,spaceGroup:P-1,id:mp-573743} |
| RD_048336055717_000 | computation | Reference Data From Materials Project: {formula:CeSiNO2,spaceGroup:P6_3/mcm,id:mp-651175} |
| RD_050247220566_000 | computation | Reference Data From Materials Project: {formula:CeGa3Pd2,spaceGroup:P6/mmm,id:mp-3494} |
| RD_050544512142_000 | computation | Reference Data From Materials Project: {formula:CeNiO3,spaceGroup:Pm-3m,id:mp-866645} |
| RD_051127115257_000 | computation | Reference Data From Materials Project: {formula:CeAlO3,spaceGroup:Imma,id:mp-19843} |
| RD_051518523179_000 | computation | Reference Data From Materials Project: {formula:CePO4,spaceGroup:P6_422,id:mp-557624} |
| RD_052951566152_000 | computation | Reference Data From Materials Project: {formula:NaCeP2O7,spaceGroup:Pmnb,id:mp-21520} |
| RD_053512063244_000 | computation | Reference Data From Materials Project: {formula:Ce3Al,spaceGroup:P2_1/m,id:mp-570987} |
| RD_053613831604_000 | computation | Reference Data From Materials Project: {formula:Ce3(TaN3)2,spaceGroup:I4/mmm,id:mp-867221} |
| RD_055437657542_000 | computation | Reference Data From Materials Project: {formula:Li2CeGe,spaceGroup:P6_3/mmc,id:mp-30042} |
| RD_057724778129_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_058407936102_000 | computation | Reference Data From Materials Project: {formula:CeAl5Pt3,spaceGroup:Pmcn,id:mp-672344} |
| RD_058749222457_000 | computation | Reference Data From Materials Project: {formula:Ce25Ni49P33,spaceGroup:P-6m2,id:mp-680512} |
| RD_059602148566_000 | computation | Reference Data From Materials Project: {formula:CeHg2,spaceGroup:P6/mmm,id:mp-30506} |
| RD_060777305308_000 | computation | Reference Data From Materials Project: {formula:CeGaPd2,spaceGroup:Pcmn,id:mp-639863} |
| RD_061796009044_000 | computation | Reference Data From Materials Project: {formula:CeCd,spaceGroup:Pm-3m,id:mp-183} |
| RD_063549994997_000 | computation | Reference Data From Materials Project: {formula:CeNiC2,spaceGroup:C2mm,id:mp-19741} |
| RD_063989956412_000 | computation | Reference Data From Materials Project: {formula:CeBRh3,spaceGroup:Pm-3m,id:mp-510376} |
| RD_065233896742_000 | computation | Reference Data From Materials Project: {formula:CeNi5,spaceGroup:P6/mmm,id:mp-1910} |
| RD_065479449075_000 | computation | Reference Data From Materials Project: {formula:CeZn2Ag,spaceGroup:Fm-3m,id:mp-867186} |
| RD_065682469099_000 | computation | Reference Data From Materials Project: {formula:CeTlAu2,spaceGroup:Fm-3m,id:mp-867361} |
| RD_065691492998_000 | computation | Reference Data From Materials Project: {formula:CeVO3,spaceGroup:Pm-3m,id:mp-25138} |
| RD_066241055813_000 | computation | CeO in AFLOW crystal prototype A2B3_cI80_206_ad_e (N2Zn3, ICSD #84918). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_066893372795_000 | computation | Reference Data From Materials Project: {formula:Sr2CeIrO6,spaceGroup:P2_1/c,id:mp-6603} |
| RD_066917439097_000 | computation | Reference Data From Materials Project: {formula:CeB6,spaceGroup:Pm-3m,id:mp-21343} |
| RD_067991178447_000 | computation | Reference Data From Materials Project: {formula:CeZr6O14,spaceGroup:Pmm2,id:mp-757324} |
| RD_068084130626_000 | computation | Reference Data From Materials Project: {formula:Ce2Ni7P4,spaceGroup:Pmn2_1,id:mp-505789} |
| RD_068108769173_000 | computation | Reference Data From Materials Project: {formula:BaCeO3,spaceGroup:Pm-3m,id:mp-5663} |
| RD_071586938998_000 | computation | Reference Data From Materials Project: {formula:Ce3Mn(Al3Cu)8,spaceGroup:Pm-3m,id:mp-669550} |
| RD_072459871608_000 | computation | Reference Data From Materials Project: {formula:CeSi2Ir3,spaceGroup:P6/mmm,id:mp-571044} |
| RD_073503415287_000 | computation | Reference Data From Materials Project: {formula:Ce2Nd2O7,spaceGroup:Fd-3m,id:mp-754846} |
| RD_073758933775_000 | computation | Reference Data From Materials Project: {formula:CePt5,spaceGroup:P6/mmm,id:mp-542777} |
| RD_074535448005_000 | computation | Reference Data From Materials Project: {formula:Ce9GdO20,spaceGroup:P-1,id:mp-675102} |
| RD_074837131092_000 | computation | Reference Data From Materials Project: {formula:Ce2ZnNi2,spaceGroup:Immm,id:mp-574021} |
| RD_075353054844_000 | computation | Reference Data From Materials Project: {formula:Ce2(ZnGe2)3,spaceGroup:Cmcm,id:mp-17567} |
| RD_076263490950_000 | computation | Reference Data From Materials Project: {formula:Ce3Pb,spaceGroup:Pm-3m,id:mp-570018} |
| RD_077259668762_000 | computation | Reference Data From Materials Project: {formula:LiCeSn,spaceGroup:F-43m,id:mp-11830} |
| RD_077939843514_000 | computation | Reference Data From Materials Project: {formula:CeAlRu,spaceGroup:Pmnb,id:mp-604008} |
| RD_078268489407_000 | computation | Reference Data From Materials Project: {formula:CeHg3,spaceGroup:P6_3/mmc,id:mp-862668} |
| RD_078550214053_000 | computation | Reference Data From Materials Project: {formula:CeSiNO2,spaceGroup:P6_3/mcm,id:mp-651175} |
| RD_078779683549_000 | computation | Reference Data From Materials Project: {formula:CeNi5,spaceGroup:P6/mmm,id:mp-1910} |
| RD_078887129282_000 | computation | Reference Data From Materials Project: {formula:Ce2Mg17,spaceGroup:P6_3/mmc,id:mp-680564} |
| RD_078920101941_000 | computation | Reference Data From Materials Project: {formula:Ce2Co5B2,spaceGroup:P6_3/mmc,id:mp-574273} |
| RD_081217473409_000 | computation | Ce 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_081625597178_000 | computation | Reference Data From Materials Project: {formula:Ce4Ga5Br2,spaceGroup:Cmmm,id:mp-30944} |
| RD_081632661492_000 | computation | Reference Data From Materials Project: {formula:SrCeN2,spaceGroup:C2,id:mp-675832} |
| RD_082103699856_000 | computation | Reference Data From Materials Project: {formula:CeCuSe2,spaceGroup:P2_1/c,id:mp-11791} |
| RD_083154890912_000 | computation | Reference Data From Materials Project: {formula:CeTlPd,spaceGroup:P-62m,id:mp-30512} |
| RD_084564372944_000 | computation | Reference Data From Materials Project: {formula:CeCrS2O,spaceGroup:C2/m,id:mp-561628} |
| RD_085482421026_000 | computation | Reference Data From Materials Project: {formula:Ce9Sb16Cl3,spaceGroup:P6_3/m,id:mp-567514} |
| RD_086621578525_000 | computation | Reference Data From Materials Project: {formula:CeTe2,spaceGroup:P4/nmm,id:mp-505536} |
| RD_088772936479_000 | computation | Reference Data From Materials Project: {formula:Ce3InC,spaceGroup:Pm-3m,id:mp-20992} |
| RD_089586447055_000 | computation | Reference Data From Materials Project: {formula:Ce2Si2O7,spaceGroup:P4_1,id:mp-672208} |
| RD_089608027102_000 | computation | Reference Data From Materials Project: {formula:CeOF,spaceGroup:R-3m,id:mp-755007} |
| RD_090108789862_000 | computation | Reference Data From Materials Project: {formula:Na3Ce2C4O12F,spaceGroup:P6_3/mmc,id:mp-556236} |
| RD_090615088397_000 | computation | Reference Data From Materials Project: {formula:Li2CeTl,spaceGroup:Fm-3m,id:mp-865971} |
| RD_091730465655_000 | computation | CeO in AFLOW crystal prototype A2B3_mC10_12_i_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_092481035995_000 | computation | Reference Data From Materials Project: {formula:Ce4MgRu,spaceGroup:F-43m,id:mp-866461} |
| RD_092982704604_000 | computation | CeO 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': 2} |
| RD_095392433999_000 | computation | Reference Data From Materials Project: {formula:Ce3Tl,spaceGroup:Pm-3m,id:mp-21412} |
| RD_095635950857_000 | computation | CeO in AFLOW crystal prototype A2B3_mC10_12_i_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_095955358147_000 | computation | Reference Data From Materials Project: {formula:Ce(FeP3)4,spaceGroup:Im3,id:mp-16272} |
| RD_095978103568_000 | computation | Reference Data From Materials Project: {formula:CeFeAsO,spaceGroup:P4mm,id:mp-605060} |
| RD_096102071336_000 | computation | Reference Data From Materials Project: {formula:Ce2TeO2,spaceGroup:I4/mmm,id:mp-4873} |
| RD_096745235058_000 | computation | Reference Data From Materials Project: {formula:CeB2Rh3,spaceGroup:P6/mmm,id:mp-5757} |
| RD_096833038463_000 | computation | Reference Data From Materials Project: {formula:CeRh3C,spaceGroup:Pm-3m,id:mp-22519} |
| RD_097158821161_000 | computation | Reference Data From Materials Project: {formula:Ce2In8Co,spaceGroup:P4/mmm,id:mp-19989} |
| RD_097300625943_000 | computation | Reference Data From Materials Project: {formula:CeZn,spaceGroup:Pm-3m,id:mp-986} |
| RD_097976531199_000 | computation | Reference Data From Materials Project: {formula:Na(Ce2Se3)4,spaceGroup:I-42d,id:mp-675013} |
| RD_098501071687_000 | computation | Reference Data From Materials Project: {formula:Ce2O3,spaceGroup:P-3m1,id:mp-2721} |
| RD_098694963469_000 | computation | Reference Data From Materials Project: {formula:CeBPt3,spaceGroup:P4mm,id:mp-22435} |
| RD_099198601088_000 | computation | Reference Data From Materials Project: {formula:CeZnPd,spaceGroup:P-62m,id:mp-13382} |
| RD_100121890201_000 | computation | Reference Data From Materials Project: {formula:Ce3Si2Rh3,spaceGroup:Pbnm,id:mp-623044} |
| RD_101277723839_000 | computation | Reference Data From Materials Project: {formula:CeAgSb2,spaceGroup:P4/nmm,id:mp-510280} |
| RD_101796507610_000 | computation | Reference Data From Materials Project: {formula:CeMgAg2,spaceGroup:Fm-3m,id:mp-865037} |
| RD_101812040281_000 | computation | Reference Data From Materials Project: {formula:CeSnAu,spaceGroup:P6_3mc,id:mp-11081} |
| RD_103847140932_000 | computation | Reference Data From Materials Project: {formula:CeGe3Pd5,spaceGroup:Pmcn,id:mp-21689} |
| RD_104085147804_000 | computation | Reference Data From Materials Project: {formula:CeGeRh,spaceGroup:Pmcn,id:mp-505282} |
| RD_104112525925_000 | computation | Reference Data From Materials Project: {formula:CeAs,spaceGroup:Fm-3m,id:mp-2748} |
| RD_104581397268_000 | computation | Reference Data From Materials Project: {formula:Ce5NiPb3,spaceGroup:P6_3/mcm,id:mp-640447} |
| RD_105718585086_000 | computation | Reference Data From Materials Project: {formula:K5CeCu2(NO2)12,spaceGroup:Pn3,id:mp-683928} |
| RD_106508350912_000 | computation | Reference Data From Materials Project: {formula:Ce6In5Pd12,spaceGroup:P6_3/mcm,id:mp-641689} |
| RD_107375552899_000 | computation | Reference Data From Materials Project: {formula:SrCeO3,spaceGroup:Pbnm,id:mp-22428} |
| RD_107602480529_000 | computation | Reference Data From Materials Project: {formula:Ce2Fe17N3,spaceGroup:R-3m,id:mp-5662} |
| RD_108875790032_000 | computation | Reference Data From Materials Project: {formula:CeB2Ir2C,spaceGroup:I4/mmm,id:mp-10964} |
| RD_109751367522_000 | computation | Reference Data From Materials Project: {formula:CeTl3,spaceGroup:Pm-3m,id:mp-20603} |
| RD_109868511651_000 | computation | Reference Data From Materials Project: {formula:Ba3Ce2C5O15F2,spaceGroup:Cm,id:mp-617840} |
| RD_110521941774_000 | computation | Reference Data From Materials Project: {formula:CeP5O14,spaceGroup:P1,id:mp-504897} |
| RD_110724092924_000 | computation | Reference Data From Materials Project: {formula:Ce14Gd18O55,spaceGroup:P1,id:mp-685970} |
| RD_110871532091_000 | computation | Reference Data From Materials Project: {formula:CeScGe,spaceGroup:I4/mmm,id:mp-16275} |
| RD_111366324504_000 | computation | Reference Data From Materials Project: {formula:Ce(SiPd)2,spaceGroup:I4/mmm,id:mp-3826} |
| RD_111594048942_000 | computation | Reference Data From Materials Project: {formula:CeZn,spaceGroup:Pm-3m,id:mp-986} |
| RD_112400542583_000 | computation | Reference Data From Materials Project: {formula:CeAgHg2,spaceGroup:Fm-3m,id:mp-865885} |
| RD_112742886670_000 | computation | Ce 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_113657509941_000 | computation | Reference Data From Materials Project: {formula:Ce2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-541851} |
| RD_114333083450_000 | computation | Reference Data From Materials Project: {formula:CeGaO3,spaceGroup:Pm-3m,id:mp-22540} |
| RD_114963324724_000 | computation | Reference Data From Materials Project: {formula:Ce8SbPd24,spaceGroup:Pm-3m,id:mp-29101} |
| RD_115009607815_000 | computation | Reference Data From Materials Project: {formula:CeInAg2,spaceGroup:Fm-3m,id:mp-672191} |
| RD_115057064441_000 | computation | Reference Data From Materials Project: {formula:Ce2C3,spaceGroup:I-43d,id:mp-20181} |
| RD_115125857965_000 | computation | Reference Data From Materials Project: {formula:Ce6B2(CBr)3,spaceGroup:P2/m,id:mp-570060} |
| RD_115214617775_000 | computation | Ce 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_115518400629_000 | computation | Reference Data From Materials Project: {formula:Ce3In,spaceGroup:Pm-3m,id:mp-20984} |
| RD_116007176649_000 | computation | Reference Data From Materials Project: {formula:La2Ce2O7,spaceGroup:Fd-3m,id:mp-755450} |
| RD_117116330831_000 | computation | Reference Data From Materials Project: {formula:Ce3(Al2Si3)2,spaceGroup:P-3m1,id:mp-29113} |
| RD_118518094442_000 | computation | Reference Data From Materials Project: {formula:KCePCO7,spaceGroup:P2_1,id:mp-756880} |
| RD_119555674649_000 | computation | Reference Data From Materials Project: {formula:Ce3SiCuS7,spaceGroup:P6_3,id:mp-558375} |
| RD_119581424834_000 | computation | Reference Data From Materials Project: {formula:CeGa6Pd,spaceGroup:P4/mmm,id:mp-580215} |
| RD_119705885726_000 | computation | Reference Data From Materials Project: {formula:CeCdAsO,spaceGroup:P4/nmm,id:mp-10316} |
| RD_120267892859_000 | computation | Reference Data From Materials Project: {formula:Ce2UO6,spaceGroup:Immm,id:mp-760470} |
| RD_120431967607_000 | computation | Reference Data From Materials Project: {formula:Ce3B2(ClO2)3,spaceGroup:P6_3/m,id:mp-680695} |
| RD_121293473066_000 | computation | Reference Data From Materials Project: {formula:Ce(CoSi)2,spaceGroup:I4/mmm,id:mp-3437} |
| RD_121576083198_000 | computation | Reference Data From Materials Project: {formula:Ce(NiP)2,spaceGroup:I4/mmm,id:mp-569697} |
| RD_122704949680_000 | computation | Reference Data From Materials Project: {formula:Ce(AlZn)2,spaceGroup:I4/mmm,id:mp-3286} |
| RD_123700347172_000 | computation | Reference Data From Materials Project: {formula:CeAlRh,spaceGroup:Pmnb,id:mp-3344} |
| RD_124416922006_000 | computation | Reference Data From Materials Project: {formula:Ce3Si2BO10,spaceGroup:Pcab,id:mp-558019} |
| RD_125668597292_000 | computation | Reference Data From Materials Project: {formula:BaCeC2O6F,spaceGroup:P-3c1,id:mp-559451} |
| RD_127068464744_000 | computation | Reference Data From Materials Project: {formula:CeAl5Ni2,spaceGroup:Immm,id:mp-4817} |
| RD_128871496216_000 | computation | Reference Data From Materials Project: {formula:Ce3CuGeSe7,spaceGroup:P6_3,id:mp-570564} |
| RD_129672546565_000 | computation | Reference Data From Materials Project: {formula:Rb5CeCo2(NO2)12,spaceGroup:Pn3,id:mp-705119} |
| RD_129677263675_000 | computation | Reference Data From Materials Project: {formula:Ce2TiO5,spaceGroup:C2/c,id:mp-754405} |
| RD_129964742011_000 | computation | Ce 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_130975086553_000 | computation | Reference Data From Materials Project: {formula:Ca2CeO4,spaceGroup:Pbam,id:mp-755597} |
| RD_131477803293_000 | computation | Reference Data From Materials Project: {formula:Ce3(AgGe)4,spaceGroup:Immm,id:mp-640597} |
| RD_132299526169_000 | computation | Reference Data From Materials Project: {formula:BaCeO3,spaceGroup:Imma,id:mp-3316} |
| RD_133862744531_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_134610296614_000 | computation | Reference Data From Materials Project: {formula:CeCdNi4,spaceGroup:F-43m,id:mp-12006} |
| RD_134869414466_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_135271942597_000 | computation | Reference Data From Materials Project: {formula:Ce5AgS8,spaceGroup:I-4,id:mp-675643} |
| RD_136392632631_000 | computation | Reference Data From Materials Project: {formula:Ce4MgRu,spaceGroup:F-43m,id:mp-866461} |
| RD_136400283242_000 | computation | Reference Data From Materials Project: {formula:Ce2S3,spaceGroup:Pmnb,id:mp-20973} |
| RD_137092649087_000 | computation | Reference Data From Materials Project: {formula:CeCuS2,spaceGroup:P2_1/c,id:mp-5766} |
| RD_137106436688_000 | computation | Reference Data From Materials Project: {formula:Ce3Sb3Au2,spaceGroup:P6_3/mmc,id:mp-569941} |
| RD_137785188286_000 | computation | Reference Data From Materials Project: {formula:Ce(TiAl10)2,spaceGroup:Fd-3m,id:mp-567387} |
| RD_138847649424_000 | computation | Reference Data From Materials Project: {formula:Ce3Br6N,spaceGroup:Pbca,id:mp-679986} |
| RD_138970298303_000 | computation | Reference Data From Materials Project: {formula:Ce15B8N25,spaceGroup:R-3c,id:mp-683987} |
| RD_139109333702_000 | computation | Reference Data From Materials Project: {formula:Ce25Ni49P33,spaceGroup:P-6m2,id:mp-680512} |
| RD_140213249621_000 | computation | Reference Data From Materials Project: {formula:Ce13O24,spaceGroup:P1,id:mp-684627} |
| RD_140490881541_000 | computation | Reference Data From Materials Project: {formula:Ce3(Si3Pd10)2,spaceGroup:P-1,id:mp-673662} |
| RD_140679754917_000 | computation | Reference Data From Materials Project: {formula:Ce3Bi4Pd3,spaceGroup:I-43d,id:mp-582142} |
| RD_140709966305_000 | computation | Reference Data From Materials Project: {formula:Ce3AlN,spaceGroup:Pm-3m,id:mp-10881} |
| RD_141663477910_000 | computation | Reference Data From Materials Project: {formula:CeAgP2,spaceGroup:C2/c,id:mp-675111} |
| RD_141827589160_000 | computation | Reference Data From Materials Project: {formula:CeAgGe,spaceGroup:P6_3mc,id:mp-11215} |
| RD_142310230462_000 | computation | Reference Data From Materials Project: {formula:CePPd,spaceGroup:P6_3/mmc,id:mp-7003} |
| RD_143489423442_000 | computation | Reference Data From Materials Project: {formula:Ce2Ti2SiO9,spaceGroup:C2/m,id:mp-560000} |
| RD_144261255643_000 | computation | Reference Data From Materials Project: {formula:CeSe2,spaceGroup:P2_1/c,id:mp-1320} |
| RD_144542936835_000 | computation | Reference Data From Materials Project: {formula:CeTl5Co2(NO2)12,spaceGroup:Pn3,id:mp-863765} |
| RD_145947383922_000 | computation | CeO in AFLOW crystal prototype AB2_tP6_136_a_f (CrSi2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_147350166054_000 | computation | Reference Data From Materials Project: {formula:Ce2(WO4)3,spaceGroup:C2/c,id:mp-505428} |
| RD_147836836507_000 | computation | CeO 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': 2} |
| RD_148135052142_000 | computation | Reference Data From Materials Project: {formula:Li2CeP2,spaceGroup:P-3m1,id:mp-9912} |
| RD_148180029408_000 | computation | Reference Data From Materials Project: {formula:Ce4Si4N7ClO3,spaceGroup:P2_12_12_1,id:mp-686294} |
| RD_149280251014_000 | computation | CeO 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': 2} |
| RD_149334280454_000 | computation | Reference Data From Materials Project: {formula:CeAlAg2,spaceGroup:Fm-3m,id:mp-865968} |
| RD_149539456861_000 | computation | Reference Data From Materials Project: {formula:Ca2CeO4,spaceGroup:Pbca,id:mp-770977} |
| RD_149670744765_000 | computation | Reference Data From Materials Project: {formula:CeSnRh,spaceGroup:P-62m,id:mp-12374} |
| RD_151116333045_000 | computation | Reference Data From Materials Project: {formula:CeCd2Ag,spaceGroup:Fm-3m,id:mp-31173} |
| RD_151124047687_000 | computation | Reference Data From Materials Project: {formula:NaCe5S8,spaceGroup:I-4,id:mp-37496} |
| RD_152538254542_000 | computation | Reference Data From Materials Project: {formula:CeSiI,spaceGroup:P-3m1,id:mp-29535} |
| RD_153188760492_000 | computation | Reference Data From Materials Project: {formula:CeHSe,spaceGroup:P6_3/mmc,id:mp-24011} |
| RD_153789990642_000 | computation | Reference Data From Materials Project: {formula:CaCeHg2,spaceGroup:Fm-3m,id:mp-866040} |
| RD_154093972638_000 | computation | Reference Data From Materials Project: {formula:Ce2In5Pd4,spaceGroup:P2_1/m,id:mp-604594} |
| RD_154264749849_000 | computation | Reference Data From Materials Project: {formula:CeZrF7,spaceGroup:P2_1,id:mp-22724} |
| RD_155820061667_000 | computation | Reference Data From Materials Project: {formula:Ce8Gd2O19,spaceGroup:P-4m2,id:mp-677234} |
| RD_155880058494_000 | computation | Reference Data From Materials Project: {formula:Ce6In14Pt11,spaceGroup:Cm,id:mp-645893} |
| RD_157239956751_000 | computation | Reference Data From Materials Project: {formula:Ce(In2Pd)2,spaceGroup:Pmcn,id:mp-641911} |
| RD_159816511802_000 | computation | Reference Data From Materials Project: {formula:Ce5(In2Pt)2,spaceGroup:Pmcb,id:mp-670677} |
| RD_161393167136_000 | computation | Reference Data From Materials Project: {formula:CeC2,spaceGroup:I4/mmm,id:mp-2839} |
| RD_162445574863_000 | computation | Reference Data From Materials Project: {formula:Ce2MgNi2,spaceGroup:P4/mbm,id:mp-19910} |
| RD_162550440732_000 | computation | Reference Data From Materials Project: {formula:Ce2SbO2,spaceGroup:C2/m,id:mp-685137} |
| RD_163454033278_000 | computation | Reference Data From Materials Project: {formula:CeAlCo,spaceGroup:C2/m,id:mp-571542} |
| RD_163831284907_000 | computation | Reference Data From Materials Project: {formula:CeCu4Sn,spaceGroup:P2_1,id:mp-640286} |
| RD_164005410018_000 | computation | Reference Data From Materials Project: {formula:Ce5Cu19P12,spaceGroup:P-62m,id:mp-21684} |
| RD_164560482895_000 | computation | Reference Data From Materials Project: {formula:KCeCuTe4,spaceGroup:P4/nmm,id:mp-613927} |
| RD_164705752224_000 | computation | Reference Data From Materials Project: {formula:CeOF,spaceGroup:F-43m,id:mp-34976} |
| RD_164974697710_000 | computation | Reference Data From Materials Project: {formula:CeTiO3,spaceGroup:Pm-3m,id:mp-754524} |
| RD_165721090258_000 | computation | Reference Data From Materials Project: {formula:CeMg2Cu9,spaceGroup:P6_3/mmc,id:mp-542934} |
| RD_166256765541_000 | computation | Reference Data From Materials Project: {formula:Ce(AlGe)2,spaceGroup:P-3m1,id:mp-7101} |
| RD_166693476278_000 | computation | Reference Data From Materials Project: {formula:CeCd3,spaceGroup:Fm-3m,id:mp-2863} |
| RD_166709691122_000 | computation | Reference Data From Materials Project: {formula:CeCu5Sn,spaceGroup:Pmnb,id:mp-637204} |
| RD_167358978534_000 | computation | Reference Data From Materials Project: {formula:Ce4(SiS4)3,spaceGroup:R3c,id:mp-680692} |
| RD_167494871189_000 | computation | Reference Data From Materials Project: {formula:Ce2Ni2Sn,spaceGroup:Immm,id:mp-22713} |
| RD_168264158049_000 | computation | Reference Data From Materials Project: {formula:Ce2Fe12P7,spaceGroup:P-6,id:mp-541196} |
| RD_168422022786_000 | computation | Reference Data From Materials Project: {formula:CeC,spaceGroup:Fm-3m,id:mp-22672} |
| RD_168525030787_000 | computation | Reference Data From Materials Project: {formula:Ce3Sb5Pd6,spaceGroup:Pmnm,id:mp-662558} |
| RD_168952988304_000 | computation | Reference Data From Materials Project: {formula:Cs2CeO3,spaceGroup:Cmc2_1,id:mp-770996} |
| RD_169654690468_000 | computation | Reference Data From Materials Project: {formula:CeTiO3,spaceGroup:Pm-3m,id:mp-754524} |
| RD_170048991125_000 | computation | Reference Data From Materials Project: {formula:CeTl2P2S7,spaceGroup:P2_1/c,id:mp-638100} |
| RD_171768876149_000 | computation | Reference Data From Materials Project: {formula:Li2CeAs2,spaceGroup:P-3m1,id:mp-8152} |
| RD_173342161625_000 | computation | Reference Data From Materials Project: {formula:CeNi5Sn,spaceGroup:P6_3/mmc,id:mp-574423} |
| RD_176097451214_000 | computation | Reference Data From Materials Project: {formula:CeNbO4,spaceGroup:C2/c,id:mp-7550} |
| RD_176343238124_000 | computation | Reference Data From Materials Project: {formula:CeInPd2,spaceGroup:P6_3/mmc,id:mp-20231} |
| RD_176500288407_000 | computation | Reference Data From Materials Project: {formula:CeInNi,spaceGroup:P-62m,id:mp-21492} |
| RD_176644816140_000 | computation | Reference Data From Materials Project: {formula:Ce,spaceGroup:C2/m,id:mp-567332} |
| RD_177695317015_000 | computation | Reference Data From Materials Project: {formula:Ce2Si2O7,spaceGroup:Pc2_1b,id:mp-582983} |
| RD_178874742604_000 | computation | Reference Data From Materials Project: {formula:CeZnPt,spaceGroup:Pmnb,id:mp-12504} |
| RD_180095935930_000 | computation | Reference Data From Materials Project: {formula:Ce9YO20,spaceGroup:P-1,id:mp-677131} |
| RD_180189731594_000 | computation | Ce 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_180652881255_000 | computation | Reference Data From Materials Project: {formula:CeBPt4,spaceGroup:P6/mmm,id:mp-20051} |
| RD_182005623841_000 | computation | Reference Data From Materials Project: {formula:CeN,spaceGroup:Fm-3m,id:mp-2493} |
| RD_182184939170_000 | computation | Reference Data From Materials Project: {formula:Ce(AlGe)2,spaceGroup:P-3m1,id:mp-7101} |
| RD_183857534628_000 | computation | Reference Data From Materials Project: {formula:CeNiSb3,spaceGroup:Pbma,id:mp-568237} |
| RD_183893006379_000 | computation | Reference Data From Materials Project: {formula:Ce3Ga4Cl,spaceGroup:I4/mcm,id:mp-30278} |
| RD_184074976755_000 | computation | Reference Data From Materials Project: {formula:CeAgHg2,spaceGroup:Fm-3m,id:mp-865885} |
| RD_184897258277_000 | computation | Reference Data From Materials Project: {formula:CeMg3,spaceGroup:Fm-3m,id:mp-1798} |
| RD_185013786472_000 | computation | Reference Data From Materials Project: {formula:Ce2Sm2O7,spaceGroup:Fd-3m,id:mp-752400} |
| RD_185477511932_000 | computation | Reference Data From Materials Project: {formula:CeZrO4,spaceGroup:P2_13,id:mp-4843} |
| RD_185497913587_000 | computation | Reference Data From Materials Project: {formula:Cs5CeCu2(NO2)12,spaceGroup:Pn3,id:mp-583424} |
| RD_186114041346_000 | computation | Reference Data From Materials Project: {formula:CeO2,spaceGroup:Fm-3m,id:mp-20194} |
| RD_187775425521_000 | computation | Reference Data From Materials Project: {formula:Ce2Ga12Pd,spaceGroup:P4/nbm,id:mp-568885} |
| RD_187871807933_000 | computation | Reference Data From Materials Project: {formula:CeIr2,spaceGroup:Fd-3m,id:mp-582} |
| RD_189539634038_000 | computation | Reference Data From Materials Project: {formula:Ce5Ga3,spaceGroup:I4/mcm,id:mp-542328} |
| RD_190148577904_000 | computation | Reference Data From Materials Project: {formula:Ce2(Zn2Ge)3,spaceGroup:P-62m,id:mp-11665} |
| RD_190636075127_000 | computation | Reference Data From Materials Project: {formula:CeVO4,spaceGroup:P2_1/c,id:mp-541244} |
| RD_190798355211_000 | computation | Reference Data From Materials Project: {formula:Ce2Y2O7,spaceGroup:Pmmb,id:mp-38950} |
| RD_190897832792_000 | computation | Reference Data From Materials Project: {formula:CeSmO2,spaceGroup:R-3m,id:mp-754040} |
| RD_192293006311_000 | computation | Reference Data From Materials Project: {formula:K2CePCO7,spaceGroup:P2_1/m,id:mp-772782} |
| RD_193528064099_000 | computation | Reference Data From Materials Project: {formula:Ce3SiAgS7,spaceGroup:P6_3,id:mp-866605} |
| RD_195380496207_000 | computation | Reference Data From Materials Project: {formula:Ce5Cu19P12,spaceGroup:P-62m,id:mp-21684} |
| RD_196048945876_000 | computation | Reference Data From Materials Project: {formula:CeBr3,spaceGroup:P6_3/m,id:mp-569850} |
| RD_197559154752_000 | computation | Reference Data From Materials Project: {formula:Ce4C4Br3,spaceGroup:P-1,id:mp-569330} |
| RD_197598785110_000 | computation | Reference Data From Materials Project: {formula:CeZn5,spaceGroup:P6/mmm,id:mp-394} |
| RD_198594552699_000 | computation | Reference Data From Materials Project: {formula:Ce10US16,spaceGroup:P-4,id:mp-676880} |
| RD_200526403698_000 | computation | Reference Data From Materials Project: {formula:Ce(GeRu)2,spaceGroup:I4/mmm,id:mp-22343} |
| RD_200666524724_000 | computation | Reference Data From Materials Project: {formula:CeMg2,spaceGroup:Fd-3m,id:mp-21419} |
| RD_203847167483_000 | computation | Reference Data From Materials Project: {formula:Rb3Ce(PSe4)2,spaceGroup:P2_1/c,id:mp-669351} |
| RD_204017515902_000 | computation | Reference Data From Materials Project: {formula:Ce5Ge3,spaceGroup:P6_3/mcm,id:mp-510493} |
| RD_204131721440_000 | computation | Reference Data From Materials Project: {formula:KCe5S8,spaceGroup:I-4,id:mp-38077} |
| RD_204807440778_000 | computation | Reference Data From Materials Project: {formula:Ce3Ni2Sn7,spaceGroup:Cmmm,id:mp-510126} |
| RD_204816990407_000 | computation | CeO 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': 2} |
| RD_204838493862_000 | computation | Reference Data From Materials Project: {formula:CeF3,spaceGroup:P6_3/mmc,id:mp-557720} |
| RD_206129722932_000 | computation | Reference Data From Materials Project: {formula:CeOs2,spaceGroup:Fd-3m,id:mp-2098} |
| RD_208375584503_000 | computation | Reference Data From Materials Project: {formula:Ce2In3Ru2,spaceGroup:Pmcn,id:mp-645068} |
| RD_209630271226_000 | computation | Reference Data From Materials Project: {formula:Li2CeAl,spaceGroup:Fm-3m,id:mp-865629} |
| RD_210666646605_000 | computation | Reference Data From Materials Project: {formula:CeF4,spaceGroup:C2/c,id:mp-542001} |
| RD_210685387142_000 | computation | Reference Data From Materials Project: {formula:Ce2O3,spaceGroup:C2/m,id:mp-561149} |
| RD_211277072972_000 | computation | Reference Data From Materials Project: {formula:Ce10S19,spaceGroup:P4_2/n,id:mp-645688} |
| RD_211836909969_000 | computation | CeO in AFLOW crystal prototype A2B3_mC10_12_i_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_212179506034_000 | computation | Reference Data From Materials Project: {formula:CeO,spaceGroup:Fm-3m,id:mp-10688} |
| RD_213345282049_000 | computation | CeO 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': 2} |
| RD_213902327146_000 | computation | Reference Data From Materials Project: {formula:Ce3Si11Pt23,spaceGroup:Fm-3m,id:mp-568452} |
| RD_214362894445_000 | computation | Reference Data From Materials Project: {formula:Ce3(AgSn)4,spaceGroup:Immm,id:mp-542824} |
| RD_215521317562_000 | computation | Reference Data From Materials Project: {formula:Yb3CeS6,spaceGroup:P2_1/m,id:mp-563013} |
| RD_215906169144_000 | computation | Reference Data From Materials Project: {formula:CeMgSi2,spaceGroup:I4_1/amd,id:mp-3545} |
| RD_216244756700_000 | computation | Reference Data From Materials Project: {formula:Ce2Mg17,spaceGroup:P6_3/mmc,id:mp-680564} |
| RD_216916340167_000 | computation | Reference Data From Materials Project: {formula:Li2CeSb2,spaceGroup:P4/nmm,id:mp-20779} |
| RD_217656450368_000 | computation | Reference Data From Materials Project: {formula:CeAl,spaceGroup:Cmcm,id:mp-20439} |
| RD_217897964537_000 | computation | Reference Data From Materials Project: {formula:CeScSi,spaceGroup:I4/mmm,id:mp-10087} |
| RD_219188452243_000 | computation | Reference Data From Materials Project: {formula:NaCeH2S2O9,spaceGroup:P3_2,id:mp-684828} |
| RD_221062325632_000 | computation | Reference Data From Materials Project: {formula:Ce4MnSe6O,spaceGroup:P6_3mc,id:mp-583771} |
| RD_222168682728_000 | computation | Reference Data From Materials Project: {formula:Ce3Si2S8I,spaceGroup:C2/c,id:mp-555409} |
| RD_223591034955_000 | computation | CeO 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': 2} |
| RD_223804670058_000 | computation | Reference Data From Materials Project: {formula:CeGa2,spaceGroup:P6/mmm,id:mp-2209} |
| RD_224497037835_000 | computation | Reference Data From Materials Project: {formula:CeBiAu2,spaceGroup:Fm-3m,id:mp-861888} |
| RD_224734360692_000 | computation | Reference Data From Materials Project: {formula:BaCeC2O6F,spaceGroup:R-3m,id:mp-649933} |
| RD_225470581351_000 | computation | Reference Data From Materials Project: {formula:Rb4CeH12C3O17,spaceGroup:P-1,id:mp-605125} |
| RD_226782682618_000 | computation | Reference Data From Materials Project: {formula:SrCeI4,spaceGroup:C2/c,id:mp-570853} |
| RD_227332524978_000 | computation | Reference Data From Materials Project: {formula:K2Ce(NO3)6,spaceGroup:P-3,id:mp-558886} |
| RD_227585737994_000 | computation | Reference Data From Materials Project: {formula:Ce5Ge3,spaceGroup:P6_3/mcm,id:mp-510493} |
| RD_227957706906_000 | computation | Reference Data From Materials Project: {formula:CeSi2,spaceGroup:I4_1/amd,id:mp-1898} |
| RD_228961899521_000 | computation | Reference Data From Materials Project: {formula:Ce(Al5Ru)2,spaceGroup:Ccmm,id:mp-31364} |
| RD_230116530657_000 | computation | Reference Data From Materials Project: {formula:Ce3(SiNi3)2,spaceGroup:Im-3m,id:mp-510324} |
| RD_231692218902_000 | computation | Reference Data From Materials Project: {formula:CeMgNi4,spaceGroup:F-43m,id:mp-13435} |
| RD_232451316109_000 | computation | CeO 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': 2} |
| RD_232554976701_000 | computation | Reference Data From Materials Project: {formula:CeCrO3,spaceGroup:Pm-3m,id:mp-24915} |
| RD_232805174169_000 | computation | Reference Data From Materials Project: {formula:Ce3Te4,spaceGroup:I-43d,id:mp-22422} |
| RD_233283860814_000 | computation | Reference Data From Materials Project: {formula:CePrO2,spaceGroup:I4_1/amd,id:mp-755658} |
| RD_233637108543_000 | computation | Reference Data From Materials Project: {formula:Ce21Fe8Bi7C12,spaceGroup:Fm-3m,id:mp-647805} |
| RD_234035368855_000 | computation | Reference Data From Materials Project: {formula:CeZn(BO2)5,spaceGroup:P2_1/c,id:mp-21667} |
| RD_234244172765_000 | computation | Reference Data From Materials Project: {formula:CeCo3B2,spaceGroup:P6/mmm,id:mp-4454} |
| RD_234258985612_000 | computation | CeO in AFLOW crystal prototype A2B3_mC10_12_i_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_234713360841_000 | computation | Reference Data From Materials Project: {formula:Ce5Ge2Rh,spaceGroup:Pcmn,id:mp-542005} |
| RD_235570829104_000 | computation | Reference Data From Materials Project: {formula:Ce,spaceGroup:P6_3/mmc,id:mp-20736} |
| RD_236669571097_000 | computation | Reference Data From Materials Project: {formula:CeAlAg2,spaceGroup:Fm-3m,id:mp-865968} |
| RD_238263130171_000 | computation | Reference Data From Materials Project: {formula:CeNi2,spaceGroup:Fd-3m,id:mp-1654} |
| RD_238303712851_000 | computation | Reference Data From Materials Project: {formula:CeSi4Ni9,spaceGroup:I4/mcm,id:mp-31051} |
| RD_238395271490_000 | computation | Reference Data From Materials Project: {formula:CeSi2Ir3,spaceGroup:Ibmm,id:mp-13475} |
| RD_238786886082_000 | computation | Reference Data From Materials Project: {formula:Ce3Ta(ClO2)3,spaceGroup:P6_3/m,id:mp-558609} |
| RD_238883732190_000 | computation | Reference Data From Materials Project: {formula:CeSiCu,spaceGroup:P6_3/mmc,id:mp-22740} |
| RD_239415620500_000 | computation | Reference Data From Materials Project: {formula:Cs2Ce10Os2I17,spaceGroup:C2/m,id:mp-623165} |
| RD_239553141075_000 | computation | Reference Data From Materials Project: {formula:Cs2CeAsS3Cl2,spaceGroup:Pmcn,id:mp-572902} |
| RD_240171391508_000 | computation | Reference Data From Materials Project: {formula:Ce6S4BrN3,spaceGroup:Pmnb,id:mp-680421} |
| RD_241453956856_000 | computation | Reference Data From Materials Project: {formula:Ce3(SiNi3)2,spaceGroup:Im-3m,id:mp-510324} |
| RD_241892998334_000 | computation | Reference Data From Materials Project: {formula:Ce2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-541851} |
| RD_242000364104_000 | computation | Reference Data From Materials Project: {formula:CeThO4,spaceGroup:P4/mmm,id:mp-36734} |
| RD_243162083702_000 | computation | Reference Data From Materials Project: {formula:Ba4CeMn3O12,spaceGroup:R-3m,id:mp-566188} |
| RD_243682614300_000 | computation | Reference Data From Materials Project: {formula:CePt3,spaceGroup:Pm-3m,id:mp-11318} |
| RD_244087193813_000 | computation | Reference Data From Materials Project: {formula:Ba2CeC3O9F,spaceGroup:P2_1/m,id:mp-6850} |
| RD_245121837996_000 | computation | Reference Data From Materials Project: {formula:Ce10S14O,spaceGroup:I4_1/acd,id:mp-579209} |
| RD_247532200384_000 | computation | Reference Data From Materials Project: {formula:CeRh2,spaceGroup:Fd-3m,id:mp-951} |
| RD_247795957625_000 | computation | Reference Data From Materials Project: {formula:Ce(Al2Fe)4,spaceGroup:I4/mmm,id:mp-16486} |
| RD_247939405825_000 | computation | Reference Data From Materials Project: {formula:Ce9(Ni13P6)2,spaceGroup:P-6m2,id:mp-649704} |
| RD_248389988808_000 | computation | Reference Data From Materials Project: {formula:CeCdAg2,spaceGroup:Fm-3m,id:mp-865552} |
| RD_248949411110_000 | computation | Reference Data From Materials Project: {formula:CeCd2Ag,spaceGroup:Fm-3m,id:mp-31173} |
| RD_249268895137_000 | computation | Reference Data From Materials Project: {formula:CeAgPb,spaceGroup:P6_3mc,id:mp-13407} |
| RD_250939366946_000 | computation | Reference Data From Materials Project: {formula:Ce3Sn13Rh4,spaceGroup:Pm-3n,id:mp-7203} |
| RD_251453044781_000 | computation | Reference Data From Materials Project: {formula:CeAlSi2,spaceGroup:P-3m1,id:mp-9400} |
| RD_255010870487_000 | computation | Reference Data From Materials Project: {formula:Ce10Si8O3,spaceGroup:P6/mmm,id:mp-555617} |
| RD_255657436213_000 | computation | Ce 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_256184037290_000 | computation | Reference Data From Materials Project: {formula:CeGe2,spaceGroup:I4_1/amd,id:mp-21055} |
| RD_256992279522_000 | computation | Reference Data From Materials Project: {formula:Ce8Ni18P11,spaceGroup:P-6m2,id:mp-571125} |
| RD_258004140248_000 | computation | Reference Data From Materials Project: {formula:LiCePCO7,spaceGroup:P2_1,id:mp-768198} |
| RD_259287165907_000 | computation | Reference Data From Materials Project: {formula:CeGePt,spaceGroup:Pmnm,id:mp-627355} |
| RD_259764368562_000 | computation | Reference Data From Materials Project: {formula:Ce4Ru3,spaceGroup:C2/m,id:mp-570629} |
| RD_260611885935_000 | computation | Reference Data From Materials Project: {formula:CeInPt,spaceGroup:P-62m,id:mp-640922} |
| RD_260968938996_000 | computation | Reference Data From Materials Project: {formula:CeNi3,spaceGroup:P6_3/mmc,id:mp-580354} |
| RD_261205227447_000 | computation | Reference Data From Materials Project: {formula:K3Ce2(NO3)9,spaceGroup:P4_132,id:mp-667318} |
| RD_262610436486_000 | computation | Reference Data From Materials Project: {formula:Ce6P17Pd6,spaceGroup:I-43m,id:mp-504776} |
| RD_262965692265_000 | computation | Reference Data From Materials Project: {formula:K3Ce2(NO3)9,spaceGroup:P4_132,id:mp-667318} |
| RD_264717845547_000 | computation | Reference Data From Materials Project: {formula:CeInCu2,spaceGroup:Fm-3m,id:mp-19834} |
| RD_265108191325_000 | computation | Reference Data From Materials Project: {formula:Ce(HO)3,spaceGroup:P6_3/m,id:mp-625915} |
| RD_266522493537_000 | computation | Reference Data From Materials Project: {formula:CeHg,spaceGroup:Pm-3m,id:mp-702} |
| RD_266897260711_000 | computation | Reference Data From Materials Project: {formula:CeIr2,spaceGroup:Fd-3m,id:mp-582} |
| RD_267508997886_000 | computation | Reference Data From Materials Project: {formula:Ce3CuGeS7,spaceGroup:P6_3,id:mp-558303} |
| RD_268089399510_000 | computation | Reference Data From Materials Project: {formula:CeGa6,spaceGroup:P4/nbm,id:mp-711} |
| RD_268609966634_000 | computation | Reference Data From Materials Project: {formula:KCe(PO3)4,spaceGroup:P2_1/c,id:mp-540753} |
| RD_269056714722_000 | computation | Reference Data From Materials Project: {formula:CePO4,spaceGroup:P2_1/c,id:mp-4136} |
| RD_269446327516_000 | computation | Reference Data From Materials Project: {formula:CeBrO,spaceGroup:P4/nmm,id:mp-754112} |
| RD_270034336573_000 | computation | Reference Data From Materials Project: {formula:CeCo4B,spaceGroup:P6/mmm,id:mp-21878} |
| RD_270286082360_000 | computation | Reference Data From Materials Project: {formula:CeInPt,spaceGroup:P-62m,id:mp-640922} |
| RD_271091038571_000 | computation | CeO 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': 2} |
| RD_271702191201_000 | computation | Reference Data From Materials Project: {formula:Ba3Ce2C5O15F2,spaceGroup:C2/m,id:mp-581090} |
| RD_274856555954_000 | computation | Reference Data From Materials Project: {formula:BaCeC2O6F,spaceGroup:R-3m,id:mp-541482} |
| RD_277357221454_000 | computation | Reference Data From Materials Project: {formula:CeCd2,spaceGroup:P-3m1,id:mp-622107} |
| RD_279242207807_000 | computation | Reference Data From Materials Project: {formula:Ce12InPt7,spaceGroup:I4/mcm,id:mp-637609} |
| RD_279730221121_000 | computation | Reference Data From Materials Project: {formula:Li8CeO6,spaceGroup:R-3,id:mp-8611} |
| RD_279970335983_000 | computation | Ce in AFLOW crystal prototype A_oC4_63_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_280415058226_000 | computation | Reference Data From Materials Project: {formula:Ce3Zn11,spaceGroup:Immm,id:mp-862292} |
| RD_281213200442_000 | computation | Reference Data From Materials Project: {formula:Ce2Al3Ge4,spaceGroup:Ccme,id:mp-18232} |
| RD_281993029797_000 | computation | Reference Data From Materials Project: {formula:CeSi2Ru3,spaceGroup:P6/mmm,id:mp-30043} |
| RD_282331349664_000 | computation | Reference Data From Materials Project: {formula:Ce4FeSe6O,spaceGroup:P6_3mc,id:mp-689668} |
| RD_284344074357_000 | computation | Reference Data From Materials Project: {formula:CeVO3,spaceGroup:Pm-3m,id:mp-25138} |
| RD_285446554464_000 | computation | Reference Data From Materials Project: {formula:CeZn3Pd2,spaceGroup:P6/mmm,id:mp-13118} |
| RD_286102685926_000 | computation | Reference Data From Materials Project: {formula:Ca(Ce2Se3)4,spaceGroup:Cc,id:mp-38870} |
| RD_286655388706_000 | computation | Reference Data From Materials Project: {formula:Ce4DyO9,spaceGroup:Im2m,id:mp-756309} |
| RD_287323900892_000 | computation | Reference Data From Materials Project: {formula:Ce2(GeO3)3,spaceGroup:P-1,id:mp-697672} |
| RD_287488050573_000 | computation | Ce in AFLOW crystal prototype A_hP2_194_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_288218085881_000 | computation | Reference Data From Materials Project: {formula:Ce(BO2)3,spaceGroup:C2/c,id:mp-20376} |
| RD_289298138133_000 | computation | Reference Data From Materials Project: {formula:CeAg,spaceGroup:Pm-3m,id:mp-2756} |
| RD_289562803557_000 | experiment | Experimental data collected from reference material at the University of Minnesota. Original source needs to be checked to verify ensemble and error values. |
| RD_289621193556_000 | computation | Reference Data From Materials Project: {formula:Ba3Ce2C5O15F2,spaceGroup:P2,id:mp-667381} |
| RD_290324134440_000 | computation | Reference Data From Materials Project: {formula:Ce4Si4N7ClO3,spaceGroup:P2_12_12_1,id:mp-677082} |
| RD_291019740909_000 | computation | Reference Data From Materials Project: {formula:Ce2Mo2C3,spaceGroup:C2/m,id:mp-13263} |
| RD_291155576874_000 | computation | Reference Data From Materials Project: {formula:CeF3,spaceGroup:P6_3/mmc,id:mp-557720} |
| RD_291512940759_000 | computation | Reference Data From Materials Project: {formula:CeTh9O20,spaceGroup:P-1,id:mp-760080} |
| RD_293445861833_000 | computation | Reference Data From Materials Project: {formula:CeZnPd,spaceGroup:P-62m,id:mp-13382} |
| RD_293609792173_000 | computation | Reference Data From Materials Project: {formula:Ce5AgSe8,spaceGroup:I-4,id:mp-676143} |
| RD_293777870741_000 | computation | Reference Data From Materials Project: {formula:CeNi3,spaceGroup:P6_3/mmc,id:mp-580354} |
| RD_294991337109_000 | computation | Reference Data From Materials Project: {formula:Ce8U2O21,spaceGroup:Cmmm,id:mp-674412} |
| RD_296300048141_000 | computation | Reference Data From Materials Project: {formula:CeAg,spaceGroup:P4/mmm,id:mp-11841} |
| RD_296980207295_000 | computation | Reference Data From Materials Project: {formula:CeCdHg2,spaceGroup:Fm-3m,id:mp-866274} |
| RD_297563840882_000 | computation | Reference Data From Materials Project: {formula:Ce2Fe12P7,spaceGroup:P-6,id:mp-541196} |
| RD_298625831436_000 | computation | Reference Data From Materials Project: {formula:Ce3(GeRh)2,spaceGroup:Pbcm,id:mp-21597} |
| RD_298856794843_000 | computation | Reference Data From Materials Project: {formula:CeIn5Co,spaceGroup:P4/mmm,id:mp-19961} |
| RD_299293700891_000 | computation | Reference Data From Materials Project: {formula:CaCeMg2,spaceGroup:Fm-3m,id:mp-862907} |
| RD_300204275990_000 | computation | CeO 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': 2} |
| RD_300738147578_000 | computation | Reference Data From Materials Project: {formula:Ce2U3O10,spaceGroup:C2/m,id:mp-773114} |
| RD_301869113240_000 | computation | Reference Data From Materials Project: {formula:CeAl4Ge2Au,spaceGroup:R-3m,id:mp-12017} |
| RD_302117031033_000 | computation | Reference Data From Materials Project: {formula:CeNiSb3,spaceGroup:Pcam,id:mp-579812} |
| RD_302524440717_000 | computation | Reference Data From Materials Project: {formula:Ce2CdSe4,spaceGroup:I-42d,id:mp-34175} |
| RD_302949958377_000 | computation | Reference Data From Materials Project: {formula:CeVO4,spaceGroup:I4_1/amd,id:mp-19214} |
| RD_303338435862_000 | computation | Reference Data From Materials Project: {formula:Ce7(GePd2)2,spaceGroup:P2_1/c,id:mp-683992} |
| RD_303439085337_000 | computation | Reference Data From Materials Project: {formula:Ce,spaceGroup:Fm-3m,id:mp-28} |
| RD_304919457966_000 | computation | Reference Data From Materials Project: {formula:CeP,spaceGroup:Fm-3m,id:mp-2154} |
| RD_304928128412_000 | computation | Reference Data From Materials Project: {formula:Ce(CuGe)2,spaceGroup:I4/mmm,id:mp-20173} |
| RD_305213543976_000 | computation | CeO 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': 2} |
| RD_305815982429_000 | computation | Reference Data From Materials Project: {formula:Ce(AlGa)2,spaceGroup:I4/mmm,id:mp-3303} |
| RD_307096364938_000 | computation | Reference Data From Materials Project: {formula:Ce3GaBr3,spaceGroup:Pm-3m,id:mp-569898} |
| RD_307797721409_000 | computation | Reference Data From Materials Project: {formula:Ce5Co19,spaceGroup:R-3m,id:mp-542327} |
| RD_309062850753_000 | computation | Reference Data From Materials Project: {formula:CeGeAu,spaceGroup:P6_3mc,id:mp-4219} |
| RD_309900262671_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_311226671308_000 | computation | Reference Data From Materials Project: {formula:Rb3Ce2(NO3)9,spaceGroup:P4_132,id:mp-667353} |
| RD_311322736290_000 | computation | Reference Data From Materials Project: {formula:CePO4,spaceGroup:P6_222,id:mp-8382} |
| RD_311565901847_000 | computation | Reference Data From Materials Project: {formula:BaCeN2,spaceGroup:P6_3/mmc,id:mp-4887} |
| RD_312937391190_000 | computation | Reference Data From Materials Project: {formula:CeIr5,spaceGroup:P6/mmm,id:mp-30507} |
| RD_313495373920_000 | computation | Reference Data From Materials Project: {formula:Ca(CeTe2)2,spaceGroup:I-42d,id:mp-675740} |
| RD_315105709235_000 | computation | Reference Data From Materials Project: {formula:Ce(Al10Cr)2,spaceGroup:Fd-3m,id:mp-3910} |
| RD_315202883746_000 | computation | Reference Data From Materials Project: {formula:Ce(NdS2)2,spaceGroup:I-42d,id:mp-37199} |
| RD_316586777655_000 | computation | Reference Data From Materials Project: {formula:CeIn3,spaceGroup:Pm-3m,id:mp-20369} |
| RD_316869595880_000 | computation | Reference Data From Materials Project: {formula:Ce3PbC,spaceGroup:Pm-3m,id:mp-20550} |
| RD_317062359059_000 | computation | Reference Data From Materials Project: {formula:CeRhC2,spaceGroup:P4_3,id:mp-637637} |
| RD_317732486052_000 | computation | Reference Data From Materials Project: {formula:CeYMg2,spaceGroup:Fm-3m,id:mp-866045} |
| RD_319442485283_000 | computation | CeO 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': 2} |
| RD_319902035143_000 | computation | Reference Data From Materials Project: {formula:CeAl3Pd2,spaceGroup:P6/mmm,id:mp-4785} |
| RD_320113739295_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_320188498460_000 | computation | Reference Data From Materials Project: {formula:Ce3Sn,spaceGroup:Pm-3m,id:mp-20735} |
| RD_320462298399_000 | computation | Reference Data From Materials Project: {formula:Ce6Ge9(BO15)2,spaceGroup:P2_1/c,id:mp-683922} |
| RD_320837901132_000 | computation | Reference Data From Materials Project: {formula:Ce6In5Pd12,spaceGroup:P6_3/mcm,id:mp-641689} |
| RD_321156274394_000 | computation | Reference Data From Materials Project: {formula:Ce10Ga5Cl4,spaceGroup:I4/mcm,id:mp-30276} |
| RD_321433526943_000 | computation | CeO 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': 2} |
| RD_321799410343_000 | computation | Reference Data From Materials Project: {formula:CeCrO3,spaceGroup:Pnma,id:mp-780921} |
| RD_322264976561_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_322293001862_000 | computation | Reference Data From Materials Project: {formula:CeNiSnH2,spaceGroup:P6_3/mmc,id:mp-542856} |
| RD_323234744159_000 | computation | Reference Data From Materials Project: {formula:CeInCu,spaceGroup:P-62m,id:mp-20665} |
| RD_323259958008_000 | computation | Reference Data From Materials Project: {formula:Ce4FeSe6O,spaceGroup:P6_3mc,id:mp-689668} |
| RD_323932174574_000 | computation | CeO 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': 2} |
| RD_324650922566_000 | computation | Reference Data From Materials Project: {formula:Ce2InCuSe5,spaceGroup:Pmnb,id:mp-642448} |
| RD_325542058714_000 | computation | Reference Data From Materials Project: {formula:CeInCu2,spaceGroup:Fm-3m,id:mp-19834} |
| RD_327033918344_000 | computation | Reference Data From Materials Project: {formula:LiCeSn,spaceGroup:F-43m,id:mp-11830} |
| RD_327346643073_000 | computation | Reference Data From Materials Project: {formula:Ce(WO4)2,spaceGroup:Pbca,id:mp-779827} |
| RD_327493850893_000 | computation | Reference Data From Materials Project: {formula:Ce10(B3C4)3,spaceGroup:P4_12_12,id:mp-569274} |
| RD_328272929379_000 | computation | Reference Data From Materials Project: {formula:CeMgTl,spaceGroup:P-62m,id:mp-21518} |
| RD_329020749552_000 | computation | Reference Data From Materials Project: {formula:Ce(SiAu)2,spaceGroup:I4/mmm,id:mp-5173} |
| RD_329531393719_000 | computation | Reference Data From Materials Project: {formula:Ce3NCl6,spaceGroup:Pbca,id:mp-667362} |
| RD_329555616849_000 | computation | Reference Data From Materials Project: {formula:Ce(SmS2)2,spaceGroup:I-42d,id:mp-34009} |
| RD_329578548872_000 | computation | Reference Data From Materials Project: {formula:CeCo5,spaceGroup:P6/mmm,id:mp-764} |
| RD_329965402402_000 | computation | Reference Data From Materials Project: {formula:CsCeCuS3,spaceGroup:Cmcm,id:mp-510569} |
| RD_330086021890_000 | computation | Reference Data From Materials Project: {formula:CeDyS3,spaceGroup:Pmnb,id:mp-20775} |
| RD_330968884992_000 | computation | Reference Data From Materials Project: {formula:Ce2InPt2,spaceGroup:P4/mbm,id:mp-20357} |
| RD_331278401406_000 | computation | Reference Data From Materials Project: {formula:CeCd2,spaceGroup:P6/mmm,id:mp-866189} |
| RD_331612899473_000 | computation | Reference Data From Materials Project: {formula:CeGaNi,spaceGroup:P-62m,id:mp-31492} |
| RD_332656608862_000 | computation | Reference Data From Materials Project: {formula:YbCeSe3,spaceGroup:Cmcm,id:mp-20764} |
| RD_333397552243_000 | computation | Reference Data From Materials Project: {formula:Ce4Ge9Rh13,spaceGroup:Pmmn,id:mp-29776} |
| RD_335786470995_000 | computation | Reference Data From Materials Project: {formula:Ce(NiAs)2,spaceGroup:P4/nmm,id:mp-610645} |
| RD_335941334304_000 | computation | Reference Data From Materials Project: {formula:Ce2SiTeO4,spaceGroup:Pbcm,id:mp-542663} |
| RD_336059300104_000 | computation | Reference Data From Materials Project: {formula:CePd5,spaceGroup:P6/mmm,id:mp-22217} |
| RD_336635241751_000 | computation | Reference Data From Materials Project: {formula:Ce5Dy2O13,spaceGroup:R3m,id:mp-753763} |
| RD_337354055434_000 | computation | Reference Data From Materials Project: {formula:Ce4ThO9,spaceGroup:I-4,id:mp-753456} |
| RD_337525725830_000 | computation | Reference Data From Materials Project: {formula:Ce3Tl,spaceGroup:Pm-3m,id:mp-21412} |
| RD_337785572885_000 | computation | Reference Data From Materials Project: {formula:Ce(GePt)2,spaceGroup:P4/nmm,id:mp-20400} |
| RD_339655544212_000 | computation | Reference Data From Materials Project: {formula:CeGa4Os,spaceGroup:Pcmm,id:mp-30267} |
| RD_340368517776_000 | computation | Reference Data From Materials Project: {formula:Cs5CeNi2(NO2)12,spaceGroup:Pn3,id:mp-704975} |
| RD_340611674798_000 | computation | Reference Data From Materials Project: {formula:CeCr2Si2C,spaceGroup:P4/mmm,id:mp-6258} |
| RD_340887699350_000 | computation | Reference Data From Materials Project: {formula:CeSnAu2,spaceGroup:Fm-3m,id:mp-867310} |
| RD_340995647274_000 | computation | Reference Data From Materials Project: {formula:Li2CeTl,spaceGroup:Fm-3m,id:mp-865971} |
| RD_341062257735_000 | computation | Reference Data From Materials Project: {formula:CeAgAs2,spaceGroup:Pmca,id:mp-672195} |
| RD_341471010927_000 | computation | Reference Data From Materials Project: {formula:CeMgPt,spaceGroup:P-62m,id:mp-19934} |
| RD_341942182249_000 | computation | Reference Data From Materials Project: {formula:Ce(SiIr)2,spaceGroup:P4/nmm,id:mp-21900} |
| RD_342138849090_000 | computation | Reference Data From Materials Project: {formula:CeBr3,spaceGroup:P6_3/m,id:mp-569850} |
| RD_343521957592_000 | computation | Reference Data From Materials Project: {formula:CeBC,spaceGroup:P2_12_12_1,id:mp-639306} |
| RD_344241360620_000 | computation | Reference Data From Materials Project: {formula:Ce4As3,spaceGroup:I-43d,id:mp-21011} |
| RD_345480555494_000 | computation | Reference Data From Materials Project: {formula:Ce2Nd2O7,spaceGroup:Fd-3m,id:mp-754846} |
| RD_345593096673_000 | computation | Reference Data From Materials Project: {formula:CsCeS2,spaceGroup:R-3m,id:mp-7015} |
| RD_347410605501_000 | computation | Reference Data From Materials Project: {formula:CeAl2,spaceGroup:Fd-3m,id:mp-2088} |
| RD_347521720707_000 | computation | Reference Data From Materials Project: {formula:CeMg2Ag,spaceGroup:Fm-3m,id:mp-31175} |
| RD_347775372797_000 | computation | CeO 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': 2} |
| RD_348317117621_000 | computation | Reference Data From Materials Project: {formula:CeSb,spaceGroup:Fm-3m,id:mp-387} |
| RD_348463853676_000 | computation | CeO 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': 2} |
| RD_348672133691_000 | computation | Reference Data From Materials Project: {formula:Ce21Fe8Bi7C12,spaceGroup:Fm-3m,id:mp-647805} |
| RD_348676739550_000 | computation | Reference Data From Materials Project: {formula:CeTlAu2,spaceGroup:Fm-3m,id:mp-867361} |
| RD_349431539315_000 | computation | Reference Data From Materials Project: {formula:Ce20Mg19Zn81,spaceGroup:F-43m,id:mp-569703} |
| RD_349591118293_000 | computation | Ce 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_350840263247_000 | computation | Reference Data From Materials Project: {formula:Ce(SiRu)2,spaceGroup:I4/mmm,id:mp-3566} |
| RD_352726238247_000 | computation | Reference Data From Materials Project: {formula:Ce2Zr2O7,spaceGroup:Fd-3m,id:mp-560329} |
| RD_352783632043_000 | computation | CeO 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': 2} |
| RD_353572326273_000 | computation | CeO 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': 2} |
| RD_353747221352_000 | computation | Reference Data From Materials Project: {formula:Ce3MgAlS7,spaceGroup:P6_3,id:mp-866517} |
| RD_354867910974_000 | computation | Reference Data From Materials Project: {formula:Ce8Nd2O19,spaceGroup:P-4m2,id:mp-675003} |
| RD_355658647601_000 | computation | Reference Data From Materials Project: {formula:Ce4Y6O17,spaceGroup:R3m,id:mp-686003} |
| RD_356968342382_000 | computation | Reference Data From Materials Project: {formula:Ce4S3O4,spaceGroup:Pmcb,id:mp-19976} |
| RD_357080073409_000 | computation | Reference Data From Materials Project: {formula:Ce2(SbPd3)3,spaceGroup:Cmcm,id:mp-18287} |
| RD_357247530732_000 | computation | Reference Data From Materials Project: {formula:Ce5B4C5,spaceGroup:Pc2_1n,id:mp-680054} |
| RD_358262265686_000 | computation | Reference Data From Materials Project: {formula:Li2CeAl,spaceGroup:Fm-3m,id:mp-865629} |
| RD_358273043371_000 | computation | Reference Data From Materials Project: {formula:Ce17O32,spaceGroup:P-1,id:mp-673643} |
| RD_359306480582_000 | computation | Reference Data From Materials Project: {formula:CeGa2,spaceGroup:P6/mmm,id:mp-2209} |
| RD_359382012542_000 | computation | Reference Data From Materials Project: {formula:CeInIr,spaceGroup:P-62m,id:mp-20449} |
| RD_359664899943_000 | computation | Reference Data From Materials Project: {formula:CePu4Co3,spaceGroup:Imcb,id:mp-510122} |
| RD_360576255458_000 | computation | Reference Data From Materials Project: {formula:K5CeNi2(NO2)12,spaceGroup:Pn3,id:mp-704967} |
| RD_360898731849_000 | computation | Reference Data From Materials Project: {formula:Ce3S2O3,spaceGroup:Pmnb,id:mp-510277} |
| RD_361054460425_000 | computation | Reference Data From Materials Project: {formula:Li6CaCeO6,spaceGroup:P-31c,id:mp-556301} |
| RD_361085214022_000 | computation | Reference Data From Materials Project: {formula:CeMg2Cu,spaceGroup:Fm-3m,id:mp-30504} |
| RD_362814149541_000 | computation | Reference Data From Materials Project: {formula:CeCrSe3,spaceGroup:Pmnb,id:mp-20170} |
| RD_364971704140_000 | computation | Reference Data From Materials Project: {formula:CeAl2Pt3,spaceGroup:P6/mmm,id:mp-7225} |
| RD_365035486160_000 | computation | Reference Data From Materials Project: {formula:BaCeC2O6F,spaceGroup:P-3c1,id:mp-559451} |
| RD_365323442239_000 | computation | Reference Data From Materials Project: {formula:CeAgGe,spaceGroup:P6_3mc,id:mp-11215} |
| RD_365335657603_000 | computation | Reference Data From Materials Project: {formula:Ce3TlC,spaceGroup:Pm-3m,id:mp-21319} |
| RD_366249712168_000 | computation | Reference Data From Materials Project: {formula:La2Ce2O7,spaceGroup:P2_1,id:mp-768522} |
| RD_366466668375_000 | computation | Reference Data From Materials Project: {formula:CeP2,spaceGroup:P2_1/c,id:mp-568080} |
| RD_367324378133_000 | computation | Reference Data From Materials Project: {formula:K5CeFe2(NO2)12,spaceGroup:Pn3,id:mp-687255} |
| RD_367861285171_000 | computation | Reference Data From Materials Project: {formula:CeS2,spaceGroup:Pbnm,id:mp-20594} |
| RD_367920334257_000 | computation | Reference Data From Materials Project: {formula:CeHg3,spaceGroup:P6_3/mmc,id:mp-862668} |
| RD_368663171141_000 | computation | Reference Data From Materials Project: {formula:BaCe2MnS5,spaceGroup:I4/mcm,id:mp-10502} |
| RD_368718551791_000 | computation | Reference Data From Materials Project: {formula:CeMg2Ag,spaceGroup:Fm-3m,id:mp-31175} |
| RD_369425325310_000 | computation | Reference Data From Materials Project: {formula:Ce(GeRh)2,spaceGroup:I4/mmm,id:mp-5577} |
| RD_369843558341_000 | computation | Reference Data From Materials Project: {formula:CeGePd,spaceGroup:Pmcn,id:mp-21647} |
| RD_371834656116_000 | computation | Reference Data From Materials Project: {formula:Li2CeN2,spaceGroup:P-3m1,id:mp-8181} |
| RD_371841658616_000 | computation | Reference Data From Materials Project: {formula:CeAg3,spaceGroup:P6_3/mmc,id:mp-862709} |
| RD_372052127080_000 | computation | Reference Data From Materials Project: {formula:Ce3Bi4Pd3,spaceGroup:I-43d,id:mp-582142} |
| RD_372783692094_000 | computation | Reference Data From Materials Project: {formula:CeSb,spaceGroup:Fm-3m,id:mp-387} |
| RD_373604799927_000 | computation | Reference Data From Materials Project: {formula:CeN,spaceGroup:Fm-3m,id:mp-2493} |
| RD_374357381146_000 | computation | Reference Data From Materials Project: {formula:Na3Ce2C4O12F,spaceGroup:P6_3/mmc,id:mp-556236} |
| RD_374732854477_000 | computation | Reference Data From Materials Project: {formula:CeGa3,spaceGroup:P6_3/mmc,id:mp-862696} |
| RD_375152978167_000 | computation | Reference Data From Materials Project: {formula:CeSnIr,spaceGroup:P-62m,id:mp-20835} |
| RD_375670067266_000 | computation | Reference Data From Materials Project: {formula:Ce3(Si3Pd10)2,spaceGroup:Fm-3m,id:mp-662609} |
| RD_376417118124_000 | computation | Reference Data From Materials Project: {formula:Ce5Sm2O13,spaceGroup:R3m,id:mp-753792} |
| RD_376888995819_000 | computation | Reference Data From Materials Project: {formula:NaCeH2S2O9,spaceGroup:P3_2,id:mp-684828} |
| RD_376938446528_000 | computation | Reference Data From Materials Project: {formula:CeMgZn2,spaceGroup:Fm-3m,id:mp-13254} |
| RD_377359184231_000 | computation | Reference Data From Materials Project: {formula:CeP2(HO4)2,spaceGroup:P2_12_12_1,id:mp-722790} |
| RD_379293914697_000 | computation | Reference Data From Materials Project: {formula:Rb5CeNi2(NO2)12,spaceGroup:Pn3,id:mp-566445} |
| RD_379542745354_000 | computation | Reference Data From Materials Project: {formula:K5CeCo2(NO2)12,spaceGroup:Pn3,id:mp-704908} |
| RD_379766346522_000 | computation | Reference Data From Materials Project: {formula:CeZnSbO,spaceGroup:P4/nmm,id:mp-22620} |
| RD_382612479678_000 | computation | Ce in AFLOW crystal prototype A_hP2_194_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_382876663842_000 | computation | Ce 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_383301397187_000 | computation | CeO 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': 2} |
| RD_383838576071_000 | computation | Reference Data From Materials Project: {formula:Ce2WC2,spaceGroup:P4_2/mnm,id:mp-567492} |
| RD_384525271304_000 | computation | Reference Data From Materials Project: {formula:Ce(SeO3)2,spaceGroup:P2_1/c,id:mp-541090} |
| RD_386059549568_000 | computation | Reference Data From Materials Project: {formula:Ce8Fe8As8O7F,spaceGroup:I-4m2,id:mp-705511} |
| RD_387685231836_000 | computation | Reference Data From Materials Project: {formula:CeSbO3,spaceGroup:Fd-3m,id:mp-38685} |
| RD_387760836757_000 | computation | Reference Data From Materials Project: {formula:CeCu,spaceGroup:Pmcn,id:mp-636198} |
| RD_391594980850_000 | computation | Reference Data From Materials Project: {formula:Ce10Te19,spaceGroup:P4_2/n,id:mp-645273} |
| RD_391932731285_000 | computation | Reference Data From Materials Project: {formula:Ce9SmO20,spaceGroup:P-1,id:mp-676636} |
| RD_392645435459_000 | computation | Reference Data From Materials Project: {formula:CeZnAu,spaceGroup:Pmnb,id:mp-13549} |
| RD_394000704109_000 | computation | Reference Data From Materials Project: {formula:Ce5Gd2O13,spaceGroup:R3m,id:mp-753088} |
| RD_394058221589_000 | computation | Reference Data From Materials Project: {formula:Ce3S4,spaceGroup:I-43d,id:mp-1382} |
| RD_394438335018_000 | computation | Reference Data From Materials Project: {formula:Ce5Sn4,spaceGroup:Pnam,id:mp-21693} |
| RD_396124276081_000 | computation | CeO in AFLOW crystal prototype A2B3_mC10_12_i_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_396421095540_000 | computation | Reference Data From Materials Project: {formula:CeF3,spaceGroup:P6_322,id:mp-22070} |
| RD_396962119842_000 | computation | Reference Data From Materials Project: {formula:K2Ce(NO3)6,spaceGroup:P2_1/c,id:mp-561127} |
| RD_397829470637_000 | computation | Reference Data From Materials Project: {formula:Ce2SeO2,spaceGroup:I4/mmm,id:mp-754998} |
| RD_398565449081_000 | computation | Reference Data From Materials Project: {formula:CeBrO,spaceGroup:R-3m,id:mp-755464} |
| RD_399204891837_000 | computation | Reference Data From Materials Project: {formula:Ce2Ga10Ni,spaceGroup:I4/mmm,id:mp-7720} |
| RD_399605125182_000 | computation | Reference Data From Materials Project: {formula:Ce3(Ge3Pd10)2,spaceGroup:Fm-3m,id:mp-672275} |
| RD_400479754723_000 | computation | Reference Data From Materials Project: {formula:CeCd3,spaceGroup:Fm-3m,id:mp-2863} |
| RD_400792035382_000 | computation | Ce in AFLOW crystal prototype A_hR1_166_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_401171440419_000 | computation | Reference Data From Materials Project: {formula:CeHg2,spaceGroup:P6/mmm,id:mp-30506} |
| RD_401601792915_000 | computation | Ce 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_401709723106_000 | computation | Reference Data From Materials Project: {formula:CeGaO3,spaceGroup:Pm-3m,id:mp-33365} |
| RD_402174291642_000 | computation | Reference Data From Materials Project: {formula:CePt2,spaceGroup:Fd-3m,id:mp-2109} |
| RD_402591999151_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ce, hcp Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-20736) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_403078904528_000 | computation | Reference Data From Materials Project: {formula:CeSi3Ru,spaceGroup:I4mm,id:mp-13120} |
| RD_404103909010_000 | computation | Reference Data From Materials Project: {formula:Ce3SiPt5,spaceGroup:Imcm,id:mp-569913} |
| RD_404281907401_000 | computation | Reference Data From Materials Project: {formula:CaCeHg2,spaceGroup:Fm-3m,id:mp-866040} |
| RD_404682469610_000 | computation | Reference Data From Materials Project: {formula:Ce2Ti2O7,spaceGroup:Fd-3m,id:mp-755065} |
| RD_405300032076_000 | computation | Reference Data From Materials Project: {formula:Ce(FeGe)2,spaceGroup:I4/mmm,id:mp-21882} |
| RD_405319458251_000 | computation | Reference Data From Materials Project: {formula:Ce3AlC,spaceGroup:Pm-3m,id:mp-10036} |
| RD_405413827660_000 | computation | Reference Data From Materials Project: {formula:Ce4Te3N2,spaceGroup:Pnam,id:mp-641183} |
| RD_405535407110_000 | computation | Reference Data From Materials Project: {formula:CeBO3,spaceGroup:Pmnb,id:mp-20882} |
| RD_405695696503_000 | computation | Reference Data From Materials Project: {formula:Ce3(Al3Ru)4,spaceGroup:P6_3/mmc,id:mp-31079} |
| RD_406325394500_000 | computation | Reference Data From Materials Project: {formula:CeHg,spaceGroup:Pm-3m,id:mp-702} |
| RD_406335723031_000 | computation | Reference Data From Materials Project: {formula:CeAl2Pt3,spaceGroup:P6/mmm,id:mp-7225} |
| RD_408340166150_000 | computation | Reference Data From Materials Project: {formula:CeSI,spaceGroup:Pcab,id:mp-680698} |
| RD_408511606371_000 | computation | Reference Data From Materials Project: {formula:Ce4SmO9,spaceGroup:Im2m,id:mp-754306} |
| RD_408621557320_000 | computation | Reference Data From Materials Project: {formula:CaCeO3,spaceGroup:Pbnm,id:mp-756365} |
| RD_409329602398_000 | computation | Reference Data From Materials Project: {formula:CeSb,spaceGroup:P4/mmm,id:mp-21140} |
| RD_409382158526_000 | computation | Reference Data From Materials Project: {formula:CeMnNi4,spaceGroup:F-43m,id:mp-5951} |
| RD_409949467280_000 | computation | Reference Data From Materials Project: {formula:Ce3Th3O11,spaceGroup:Pm,id:mp-754176} |
| RD_410406862479_000 | computation | Reference Data From Materials Project: {formula:Ce3(Si4Ni)2,spaceGroup:Cmmm,id:mp-504613} |
| RD_411748814662_000 | computation | Reference Data From Materials Project: {formula:Ce(Re2Si)2,spaceGroup:Cmmm,id:mp-27861} |
| RD_411824009834_000 | computation | Reference Data From Materials Project: {formula:Sr2CeO4,spaceGroup:Pmcb,id:mp-15743} |
| RD_413221171401_000 | computation | Reference Data From Materials Project: {formula:Ce4As3,spaceGroup:I-43d,id:mp-21011} |
| RD_413736463732_000 | computation | Reference Data From Materials Project: {formula:CeTe,spaceGroup:Fm-3m,id:mp-1525} |
| RD_414003020310_000 | computation | Reference Data From Materials Project: {formula:NaCe(GaSe2)4,spaceGroup:Fddd,id:mp-646612} |
| RD_414505653549_000 | computation | Reference Data From Materials Project: {formula:Ce10Se19,spaceGroup:P4_2/n,id:mp-652044} |
| RD_415735624111_000 | computation | Reference Data From Materials Project: {formula:Ce(SnIr)2,spaceGroup:P4/nmm,id:mp-21358} |
| RD_416442044424_000 | computation | Reference Data From Materials Project: {formula:Ce2O3,spaceGroup:P321,id:mp-20169} |
| RD_417487642744_000 | computation | Reference Data From Materials Project: {formula:CeAgSn,spaceGroup:P6_3mc,id:mp-31420} |
| RD_417719924876_000 | computation | Reference Data From Materials Project: {formula:CePPd,spaceGroup:P6_3/mmc,id:mp-7003} |
| RD_420562569421_000 | computation | Reference Data From Materials Project: {formula:Ce2SiS5,spaceGroup:P2_1/c,id:mp-558269} |
| RD_421631109818_000 | computation | Reference Data From Materials Project: {formula:Ce2MgGe2,spaceGroup:P4/mbm,id:mp-22511} |
| RD_422174428217_000 | computation | Reference Data From Materials Project: {formula:Ce3Se4,spaceGroup:I-43d,id:mp-567370} |
| RD_422221756012_000 | computation | Reference Data From Materials Project: {formula:Ce(TiAl10)2,spaceGroup:Fd-3m,id:mp-567387} |
| RD_422863875738_000 | computation | Reference Data From Materials Project: {formula:CeU5O12,spaceGroup:C2/m,id:mp-753493} |
| RD_423208584610_000 | computation | Reference Data From Materials Project: {formula:Ce3In,spaceGroup:Pm-3m,id:mp-20984} |
| RD_423247453370_000 | computation | Reference Data From Materials Project: {formula:Ce4C2Br5,spaceGroup:Immm,id:mp-574262} |
| RD_423257582019_000 | computation | Reference Data From Materials Project: {formula:Ce13Zn58,spaceGroup:P6_3/mmc,id:mp-568360} |
| RD_424271896376_000 | computation | Reference Data From Materials Project: {formula:CeOs2,spaceGroup:Fd-3m,id:mp-2098} |
| RD_424679548322_000 | computation | Reference Data From Materials Project: {formula:Ce4Sn25Pt12,spaceGroup:Im3,id:mp-640776} |
| RD_424887343319_000 | computation | Reference Data From Materials Project: {formula:Na4Ce(As2O7)2,spaceGroup:P4/ncc,id:mp-561448} |
| RD_425237079388_000 | computation | Reference Data From Materials Project: {formula:CeTl5Ni2(NO2)12,spaceGroup:Pn3,id:mp-565250} |
| RD_426983640119_000 | computation | Reference Data From Materials Project: {formula:Ce2Ge4Pt7,spaceGroup:Pmcn,id:mp-567664} |
| RD_428132790241_000 | computation | CeO 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': 2} |
| RD_428838493285_000 | computation | Reference Data From Materials Project: {formula:Ce2SbS5Br,spaceGroup:Pmnb,id:mp-629511} |
| RD_429885438461_000 | computation | Reference Data From Materials Project: {formula:Ce2Co17,spaceGroup:P6_3/mmc,id:mp-2216} |
| RD_429953456000_000 | computation | Reference Data From Materials Project: {formula:CeSi2Ni,spaceGroup:Cmcm,id:mp-15653} |
| RD_431870236479_000 | computation | Reference Data From Materials Project: {formula:Ce(Al2Cu)4,spaceGroup:I4/mmm,id:mp-20003} |
| RD_433273626465_000 | computation | Reference Data From Materials Project: {formula:Ce4ThO10,spaceGroup:C2/m,id:mp-766123} |
| RD_434271963302_000 | computation | Reference Data From Materials Project: {formula:RbCeS2,spaceGroup:R-3m,id:mp-3535} |
| RD_434413798779_000 | computation | Reference Data From Materials Project: {formula:CeAlPd,spaceGroup:Pmnm,id:mp-641571} |
| RD_434958816425_000 | computation | Reference Data From Materials Project: {formula:Ce7Ru3,spaceGroup:P6_3mc,id:mp-31164} |
| RD_436605646387_000 | computation | Reference Data From Materials Project: {formula:KCe2CuSe6,spaceGroup:Fddd,id:mp-669330} |
| RD_437111835433_000 | computation | Reference Data From Materials Project: {formula:CeP2O7,spaceGroup:Pa3,id:mp-22524} |
| RD_437675026296_000 | computation | Reference Data From Materials Project: {formula:CeIn5Rh,spaceGroup:P4/mmm,id:mp-20294} |
| RD_437849558803_000 | computation | Reference Data From Materials Project: {formula:Ce3SiCuSe7,spaceGroup:P6_3,id:mp-571472} |
| RD_438368689912_000 | computation | CeO 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': 2} |
| RD_440271586496_000 | computation | CeO 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': 2} |
| RD_440995334387_000 | computation | Reference Data From Materials Project: {formula:CeCl3,spaceGroup:P6_3/m,id:mp-582011} |
| RD_442878979394_000 | computation | Reference Data From Materials Project: {formula:Ce5Al2Ru3,spaceGroup:I2_13,id:mp-865967} |
| RD_444162051466_000 | computation | Reference Data From Materials Project: {formula:K2Ce(PO4)2,spaceGroup:I4_1/amd,id:mp-560528} |
| RD_444537655534_000 | computation | Reference Data From Materials Project: {formula:Ce(MnGe)2,spaceGroup:I4/mmm,id:mp-21089} |
| RD_446627678229_000 | computation | CeO 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': 2} |
| RD_447792414256_000 | computation | Reference Data From Materials Project: {formula:Ce(SeO4)2,spaceGroup:Pcab,id:mp-21838} |
| RD_450841823352_000 | computation | Reference Data From Materials Project: {formula:CeSb(SBr)2,spaceGroup:P2_1/c,id:mp-680417} |
| RD_451597010002_000 | computation | Reference Data From Materials Project: {formula:Ce2Si4Pt7,spaceGroup:Pmcn,id:mp-567579} |
| RD_452128399335_000 | computation | Reference Data From Materials Project: {formula:Ce5C2Br9,spaceGroup:Pmnb,id:mp-623670} |
| RD_453097231194_000 | computation | Reference Data From Materials Project: {formula:Ce(SO4)2,spaceGroup:Pcab,id:mp-21947} |
| RD_453233154239_000 | computation | Reference Data From Materials Project: {formula:Ce3Sn13Rh4,spaceGroup:Pm-3n,id:mp-7203} |
| RD_453899046432_000 | computation | Reference Data From Materials Project: {formula:YbCeZn2,spaceGroup:Fm-3m,id:mp-865781} |
| RD_454022900699_000 | computation | Reference Data From Materials Project: {formula:CeMgAu,spaceGroup:P-62m,id:mp-759835} |
| RD_455034140144_000 | computation | Reference Data From Materials Project: {formula:Ce3CuGeS7,spaceGroup:P6_3,id:mp-558303} |
| RD_455389346674_000 | computation | Reference Data From Materials Project: {formula:Ce2(Zn2Ge)3,spaceGroup:P-62m,id:mp-11665} |
| RD_458857761561_000 | computation | Reference Data From Materials Project: {formula:Ce4MnSe6O,spaceGroup:P6_3mc,id:mp-583771} |
| RD_459180962897_000 | computation | Reference Data From Materials Project: {formula:Ce10Si8O3,spaceGroup:P6/mmm,id:mp-555617} |
| RD_459649648861_000 | computation | Reference Data From Materials Project: {formula:CeNi5Sn,spaceGroup:P6_3/mmc,id:mp-574423} |
| RD_459688749768_000 | computation | Reference Data From Materials Project: {formula:Ce,spaceGroup:P6_3/mmc,id:mp-20372} |
| RD_459738834870_000 | computation | Reference Data From Materials Project: {formula:CeB2ClO4,spaceGroup:P-1,id:mp-556519} |
| RD_460346667560_000 | computation | Reference Data From Materials Project: {formula:Na5Ca2Ce3Ti8Nb2O30,spaceGroup:P4mm,id:mp-721094} |
| RD_460978034125_000 | computation | Reference Data From Materials Project: {formula:Ce5Sn3,spaceGroup:I4/mcm,id:mp-637308} |
| RD_462953494984_000 | computation | Reference Data From Materials Project: {formula:CeHfO4,spaceGroup:P2_1/c,id:mp-770372} |
| RD_464057263400_000 | computation | Reference Data From Materials Project: {formula:Li2CePb,spaceGroup:Fm-3m,id:mp-865932} |
| RD_466002254338_000 | computation | Reference Data From Materials Project: {formula:CeNiSn,spaceGroup:Pmnb,id:mp-21119} |
| RD_466470818430_000 | computation | Reference Data From Materials Project: {formula:RbCeTe2,spaceGroup:R-3m,id:mp-4240} |
| RD_470282179007_000 | computation | Reference Data From Materials Project: {formula:CeSnPt,spaceGroup:P-62m,id:mp-22763} |
| RD_470645453756_000 | computation | Reference Data From Materials Project: {formula:Ce(Mo3S4)2,spaceGroup:R-3,id:mp-676489} |
| RD_470814677713_000 | computation | Reference Data From Materials Project: {formula:CeSF,spaceGroup:P4/nmm,id:mp-4973} |
| RD_471875706363_000 | computation | Reference Data From Materials Project: {formula:CeBi,spaceGroup:Fm-3m,id:mp-23285} |
| RD_472141943471_000 | computation | Reference Data From Materials Project: {formula:Ce,spaceGroup:Fm-3m,id:mp-28} |
| RD_472348328261_000 | computation | Reference Data From Materials Project: {formula:K2Ce(NO3)6,spaceGroup:P-3,id:mp-558886} |
| RD_472957970717_000 | computation | Reference Data From Materials Project: {formula:CeCoSb3,spaceGroup:Pbma,id:mp-568089} |
| RD_473771834389_000 | computation | Reference Data From Materials Project: {formula:CeMnSbO,spaceGroup:P4/nmm,id:mp-542723} |
| RD_474133821565_000 | computation | Reference Data From Materials Project: {formula:CeMg3,spaceGroup:Fm-3m,id:mp-1798} |
| RD_474647316951_000 | computation | Ce 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_475157058192_000 | computation | Reference Data From Materials Project: {formula:Ce5Ir4,spaceGroup:Pnam,id:mp-680536} |
| RD_475285659955_000 | computation | Reference Data From Materials Project: {formula:CeFeO3,spaceGroup:Pm-3m,id:mp-865008} |
| RD_476613813412_000 | computation | Reference Data From Materials Project: {formula:CeSi2Ir3,spaceGroup:P6/mmm,id:mp-571044} |
| RD_476920476976_000 | computation | Reference Data From Materials Project: {formula:CeAs2Pd3,spaceGroup:C2/m,id:mp-574159} |
| RD_477051223251_000 | computation | Reference Data From Materials Project: {formula:Ce2CdS4,spaceGroup:I-42d,id:mp-34145} |
| RD_478102311316_000 | computation | Reference Data From Materials Project: {formula:CeAl8O16,spaceGroup:Pmm2,id:mp-676933} |
| RD_478874129043_000 | computation | Reference Data From Materials Project: {formula:Ce9Sb16Cl3,spaceGroup:P6_3/m,id:mp-567514} |
| RD_478972211733_000 | computation | Reference Data From Materials Project: {formula:CeGa3Pd2,spaceGroup:P6/mmm,id:mp-3494} |
| RD_479651003874_000 | computation | Reference Data From Materials Project: {formula:CeCdAu2,spaceGroup:Fm-3m,id:mp-866185} |
| RD_480689436592_000 | computation | Reference Data From Materials Project: {formula:Ce20Mg19Zn81,spaceGroup:F-43m,id:mp-569703} |
| RD_480809081839_000 | computation | Reference Data From Materials Project: {formula:Ce3SiPd5,spaceGroup:Imcm,id:mp-30155} |
| RD_481772778165_000 | computation | Reference Data From Materials Project: {formula:CeNiSnH,spaceGroup:Pnam,id:mp-643790} |
| RD_482168190870_000 | computation | Reference Data From Materials Project: {formula:CeCd,spaceGroup:P4/mmm,id:mp-11291} |
| RD_483184088422_000 | computation | Reference Data From Materials Project: {formula:CeSnPt,spaceGroup:Pmnb,id:mp-20834} |
| RD_484163940641_000 | computation | Reference Data From Materials Project: {formula:Ce3Sn,spaceGroup:Pm-3m,id:mp-20735} |
| RD_484379931620_000 | computation | Reference Data From Materials Project: {formula:Ce3(BN2)2,spaceGroup:Immm,id:mp-3603} |
| RD_484587867630_000 | computation | Reference Data From Materials Project: {formula:Ce3Pb,spaceGroup:Pm-3m,id:mp-570018} |
| RD_484882006634_000 | computation | Reference Data From Materials Project: {formula:CeCu4Sn,spaceGroup:P2_12_12_1,id:mp-655580} |
| RD_485403995726_000 | computation | Reference Data From Materials Project: {formula:Ce(MgSi)2,spaceGroup:P4/mmm,id:mp-19865} |
| RD_486242650430_000 | computation | Reference Data From Materials Project: {formula:CeAl3,spaceGroup:P6_3/mmc,id:mp-567305} |
| RD_486686547474_000 | computation | Reference Data From Materials Project: {formula:CeZn3,spaceGroup:Ccmm,id:mp-640118} |
| RD_487005076694_000 | computation | Reference Data From Materials Project: {formula:CeTlAg2,spaceGroup:Fm-3m,id:mp-867298} |
| RD_487067566822_000 | computation | Reference Data From Materials Project: {formula:Ce2(SeO3)3,spaceGroup:Pbnm,id:mp-638687} |
| RD_487567032493_000 | computation | Reference Data From Materials Project: {formula:CeTa3O9,spaceGroup:C2/m,id:mp-505070} |
| RD_487824699861_000 | computation | Reference Data From Materials Project: {formula:Ce2Zn17,spaceGroup:R-3m,id:mp-542458} |
| RD_487947779030_000 | computation | Reference Data From Materials Project: {formula:CeInNi,spaceGroup:P-62m,id:mp-21492} |
| RD_488187304532_000 | computation | Reference Data From Materials Project: {formula:CeP,spaceGroup:Pm-3m,id:mp-21143} |
| RD_490657777471_000 | computation | Reference Data From Materials Project: {formula:K2Ce(Si2O5)3,spaceGroup:C2/c,id:mp-557649} |
| RD_491290414088_000 | computation | Reference Data From Materials Project: {formula:Ba4Ce2O7,spaceGroup:P2_1/c,id:mp-778589} |
| RD_491607425400_000 | computation | Reference Data From Materials Project: {formula:CeMg,spaceGroup:Pm-3m,id:mp-1062} |
| RD_491958696595_000 | computation | Reference Data From Materials Project: {formula:CeReB4,spaceGroup:Pmcb,id:mp-22361} |
| RD_492119996152_000 | computation | Reference Data From Materials Project: {formula:CeYMg2,spaceGroup:Fm-3m,id:mp-866045} |
| RD_492317097408_000 | computation | Reference Data From Materials Project: {formula:CeCoGe,spaceGroup:P4/nmm,id:mp-21339} |
| RD_492426879361_000 | computation | Reference Data From Materials Project: {formula:CeBPd3,spaceGroup:Pm-3m,id:mp-19948} |
| RD_493345932323_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_494334277019_000 | computation | Reference Data From Materials Project: {formula:Ce3CuSnS7,spaceGroup:P6_3,id:mp-510567} |
| RD_494426226310_000 | computation | Reference Data From Materials Project: {formula:Ce11O20,spaceGroup:P-1,id:mp-505619} |
| RD_494682451104_000 | computation | Reference Data From Materials Project: {formula:CeTmS3,spaceGroup:P2_1/m,id:mp-541836} |
| RD_495061073823_000 | computation | Reference Data From Materials Project: {formula:CePS4,spaceGroup:I4_1/acd,id:mp-561261} |
| RD_495383591306_000 | computation | Reference Data From Materials Project: {formula:Ce2Ga10Pd,spaceGroup:I4/mmm,id:mp-12746} |
| RD_495948894105_000 | computation | Reference Data From Materials Project: {formula:Ce(HO)3,spaceGroup:P6_3/m,id:mp-625915} |
| RD_497465656187_000 | computation | Reference Data From Materials Project: {formula:Ce2Si3Rh,spaceGroup:P6/mmm,id:mp-31163} |
| RD_497513834478_000 | computation | Reference Data From Materials Project: {formula:CeMgNi4,spaceGroup:F-43m,id:mp-13435} |
| RD_497655526873_000 | computation | Reference Data From Materials Project: {formula:TbCeO4,spaceGroup:I4_1/amd,id:mp-753726} |
| RD_497969193545_000 | computation | Reference Data From Materials Project: {formula:CeCrO3,spaceGroup:Pm-3m,id:mp-24915} |
| RD_498757485728_000 | computation | Reference Data From Materials Project: {formula:CeAgSn,spaceGroup:P6_3mc,id:mp-31420} |
| RD_498863332394_000 | computation | Reference Data From Materials Project: {formula:CeCuSn,spaceGroup:P6_3/mmc,id:mp-22761} |
| RD_498969254663_000 | computation | Reference Data From Materials Project: {formula:CeFe2,spaceGroup:Fd-3m,id:mp-204} |
| RD_500019381551_000 | computation | Reference Data From Materials Project: {formula:Ce5Pb3O,spaceGroup:I4/mcm,id:mp-510369} |
| RD_500503165256_000 | computation | Reference Data From Materials Project: {formula:Ce5O9,spaceGroup:P-1,id:mp-32613} |
| RD_502445281780_000 | computation | Reference Data From Materials Project: {formula:K5CeCo2(NO2)12,spaceGroup:Pn3,id:mp-704908} |
| RD_502627049523_000 | computation | Reference Data From Materials Project: {formula:CeAgAu2,spaceGroup:Fm-3m,id:mp-865862} |
| RD_505444982151_000 | computation | Reference Data From Materials Project: {formula:CePO4,spaceGroup:P2_1/c,id:mp-22098} |
| RD_505450616517_000 | computation | Reference Data From Materials Project: {formula:Rb5CeNi2(NO2)12,spaceGroup:Pn3,id:mp-566445} |
| RD_506258883311_000 | computation | Reference Data From Materials Project: {formula:Ce3Si6N11,spaceGroup:P4bm,id:mp-541712} |
| RD_506336042917_000 | computation | Reference Data From Materials Project: {formula:Ce(FeSi)2,spaceGroup:I4/mmm,id:mp-3035} |
| RD_509457270311_000 | computation | Reference Data From Materials Project: {formula:Ce(ClO4)3,spaceGroup:R3c,id:mp-768684} |
| RD_509787087243_000 | computation | Reference Data From Materials Project: {formula:Ce2In,spaceGroup:P6_3/mmc,id:mp-19733} |
| RD_510069953875_000 | computation | Reference Data From Materials Project: {formula:CeB4,spaceGroup:P4/mbm,id:mp-1974} |
| RD_511586633182_000 | computation | Reference Data From Materials Project: {formula:CeHSe,spaceGroup:P6_3/mmc,id:mp-24011} |
| RD_511927374423_000 | computation | Reference Data From Materials Project: {formula:Ba2Ce3Si3O12F,spaceGroup:P6_3,id:mp-42307} |
| RD_512492416284_000 | computation | Reference Data From Materials Project: {formula:Cs5CeCu2(NO2)12,spaceGroup:Pn3,id:mp-583424} |
| RD_512946001626_000 | computation | Reference Data From Materials Project: {formula:Ce3TaO7,spaceGroup:Cmcm,id:mp-754141} |
| RD_513003721401_000 | computation | Reference Data From Materials Project: {formula:CeRh3,spaceGroup:Pm-3m,id:mp-1518} |
| RD_513078430824_000 | computation | CeO 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': 2} |
| RD_514331496899_000 | computation | Reference Data From Materials Project: {formula:Ce2PbS4,spaceGroup:I-42d,id:mp-675925} |
| RD_515892653034_000 | computation | Reference Data From Materials Project: {formula:CeBPd3,spaceGroup:Pm-3m,id:mp-19948} |
| RD_518026965773_000 | computation | Reference Data From Materials Project: {formula:Na3Ce5Cl18,spaceGroup:P-6,id:mp-675238} |