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.
Choose from the tab above to sort the models in different ways.
| Reference Data | Data Method | Description |
|---|---|---|
| RD_318717914934_000 | computation | Reference Data From Materials Project: {formula:YCdPt2,spaceGroup:Fm-3m,id:mp-865524} |
| RD_318963188941_000 | computation | Reference Data From Materials Project: {formula:La23Cd4Pt7,spaceGroup:P6_3mc,id:mp-567446} |
| RD_319587633158_000 | computation | Reference Data From Materials Project: {formula:GdCdPd2,spaceGroup:Fm-3m,id:mp-866034} |
| RD_319693529261_000 | computation | Reference Data From Materials Project: {formula:Rb2CdO2,spaceGroup:Pnab,id:mp-28364} |
| RD_319702328811_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_320173876534_000 | computation | Reference Data From Materials Project: {formula:Cd(CO2)2,spaceGroup:P2_1/c,id:mp-555064} |
| RD_320548187157_000 | computation | Reference Data From Materials Project: {formula:CsCd(NO2)3,spaceGroup:Pm3,id:mp-22378} |
| RD_320819397278_000 | computation | Reference Data From Materials Project: {formula:ErCdCu4,spaceGroup:F-43m,id:mp-12008} |
| RD_321912627142_000 | computation | Reference Data From Materials Project: {formula:Na26Cd141,spaceGroup:P6/mmm,id:mp-680434} |
| RD_322362991623_000 | computation | Reference Data From Materials Project: {formula:Yb2TlCd,spaceGroup:Fm-3m,id:mp-864743} |
| RD_322531021769_000 | computation | Reference Data From Materials Project: {formula:Cd2P3I,spaceGroup:C2/c,id:mp-29244} |
| RD_323211059965_000 | computation | Reference Data From Materials Project: {formula:Cd(BO2)2,spaceGroup:P6_3,id:mp-13335} |
| RD_323770112309_000 | computation | Reference Data From Materials Project: {formula:Sr9Cd4Bi9,spaceGroup:Pmcb,id:mp-30447} |
| RD_324424023308_000 | computation | Reference Data From Materials Project: {formula:Ba3Ta2CdO9,spaceGroup:P-3m1,id:mp-554669} |
| RD_324542455875_000 | computation | Reference Data From Materials Project: {formula:ThCd2,spaceGroup:P6/mmm,id:mp-1210} |
| RD_324877920215_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_324920015922_000 | computation | Reference Data From Materials Project: {formula:CsCdBr3,spaceGroup:P6_3/mmc,id:mp-541899} |
| RD_325798683733_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_325815855527_000 | computation | Reference Data From Materials Project: {formula:Yb2CdSn,spaceGroup:Fm-3m,id:mp-865918} |
| RD_326553511477_000 | computation | Reference Data From Materials Project: {formula:CdPt3,spaceGroup:Pm-3m,id:mp-866022} |
| RD_326793797374_000 | computation | Reference Data From Materials Project: {formula:Cd2Os2O7,spaceGroup:Fd-3m,id:mp-5950} |
| RD_326844921143_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_327038547693_000 | computation | Reference Data From Materials Project: {formula:CdPOs2,spaceGroup:F-43m,id:mp-631403} |
| RD_327095333921_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_327618386297_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_327944000577_000 | computation | CdSe 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_329049566544_000 | computation | Reference Data From Materials Project: {formula:K14(Tl7Cd3)3,spaceGroup:P-62m,id:mp-569896} |
| RD_329145578716_000 | computation | Reference Data From Materials Project: {formula:CdH20C2S2(NO2)6,spaceGroup:P-1,id:mp-690848} |
| RD_329400565839_000 | computation | Reference Data From Materials Project: {formula:YbCd,spaceGroup:Pm-3m,id:mp-1857} |
| RD_329715588837_000 | computation | Reference Data From Materials Project: {formula:Cd(InS2)2,spaceGroup:Fd-3m,id:mp-559200} |
| RD_331278401406_000 | computation | Reference Data From Materials Project: {formula:CeCd2,spaceGroup:P6/mmm,id:mp-866189} |
| RD_332276057117_000 | computation | Reference Data From Materials Project: {formula:Cd(HO)2,spaceGroup:P3m1,id:mp-625557} |
| RD_332426496941_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571559} |
| RD_333888076047_000 | computation | Reference Data From Materials Project: {formula:CsTmCdTe3,spaceGroup:Cmcm,id:mp-12496} |
| RD_334467807016_000 | computation | Reference Data From Materials Project: {formula:Cd3(BiO2)10,spaceGroup:C2,id:mp-675991} |
| RD_335045081859_000 | computation | Reference Data From Materials Project: {formula:Cd(IO3)2,spaceGroup:Pc2_1b,id:mp-556578} |
| RD_335362460039_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_336058869999_000 | computation | Reference Data From Materials Project: {formula:CdCuSb,spaceGroup:F-43m,id:mp-10685} |
| RD_338211543031_000 | computation | Reference Data From Materials Project: {formula:LiCdPO4,spaceGroup:Pc2_1n,id:mp-556786} |
| RD_338229071349_000 | computation | Reference Data From Materials Project: {formula:Nb6Cd(Br8O9)2,spaceGroup:Fd-3m,id:mp-868020} |
| RD_338982734365_000 | computation | Reference Data From Materials Project: {formula:YCdGa,spaceGroup:F-43m,id:mp-961655} |
| RD_340342068532_000 | computation | CdTe 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_340399758311_000 | computation | Reference Data From Materials Project: {formula:V2Cd(P2O7)2,spaceGroup:P-1,id:mp-19452} |
| RD_341631895735_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-669357} |
| RD_341728711448_000 | computation | Reference Data From Materials Project: {formula:Ca(CdSb)2,spaceGroup:P-3m1,id:mp-7430} |
| RD_341851946439_000 | computation | Reference Data From Materials Project: {formula:CdHg4(AsI2)2,spaceGroup:P2_1,id:mp-570838} |
| RD_342090122887_000 | computation | Reference Data From Materials Project: {formula:K2CdO2,spaceGroup:Pnab,id:mp-27742} |
| RD_342701411480_000 | computation | Reference Data From Materials Project: {formula:Cd(HO)2,spaceGroup:P1,id:mp-625094} |
| RD_342934103716_000 | computation | Reference Data From Materials Project: {formula:Ac2CdSn,spaceGroup:Fm-3m,id:mp-862319} |
| RD_342985455871_000 | computation | Reference Data From Materials Project: {formula:Cd(W3Br7)2,spaceGroup:Pn3,id:mp-29052} |
| RD_347215040505_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_347633062163_000 | computation | Reference Data From Materials Project: {formula:Pr13Cd58,spaceGroup:P6_3/mmc,id:mp-581655} |
| RD_348261734302_000 | computation | Reference Data From Materials Project: {formula:RbZrCdF7,spaceGroup:Ccmm,id:mp-558514} |
| RD_349433792668_000 | computation | Reference Data From Materials Project: {formula:Na4CdP2,spaceGroup:R-3m,id:mp-8752} |
| RD_349679515900_000 | computation | Reference Data From Materials Project: {formula:Sm2CdS4,spaceGroup:I-42d,id:mp-35281} |
| RD_349886130224_000 | computation | Reference Data From Materials Project: {formula:NaVCdO4,spaceGroup:Ccmm,id:mp-565425} |
| RD_350202006462_000 | computation | Reference Data From Materials Project: {formula:Cd(BO2)2,spaceGroup:P6_3,id:mp-13335} |
| RD_350509565838_000 | computation | Reference Data From Materials Project: {formula:EuCd11,spaceGroup:I4_1/amd,id:mp-583684} |
| RD_350841581191_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571646} |
| RD_350930466690_000 | computation | Reference Data From Materials Project: {formula:GdCdHg2,spaceGroup:Fm-3m,id:mp-865745} |
| RD_352247556021_000 | computation | Reference Data From Materials Project: {formula:TmCd,spaceGroup:Pm-3m,id:mp-2502} |
| RD_352408755954_000 | computation | Reference Data From Materials Project: {formula:Cd2Cu(PO4)2,spaceGroup:P-1,id:mp-13361} |
| RD_352434423245_000 | computation | Reference Data From Materials Project: {formula:ZrCdPd2,spaceGroup:Fm-3m,id:mp-864607} |
| RD_352474479452_000 | computation | Reference Data From Materials Project: {formula:Li2CdPd,spaceGroup:Fm-3m,id:mp-865582} |
| RD_353005907378_000 | computation | Reference Data From Materials Project: {formula:YCdAu2,spaceGroup:Fm-3m,id:mp-865522} |
| RD_353366194735_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_353763633930_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:R-3m,id:mp-568233} |
| RD_354352271610_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_354772509707_000 | computation | Reference Data From Materials Project: {formula:BaCdGe,spaceGroup:P6_3/mmc,id:mp-11816} |
| RD_355574169866_000 | computation | Reference Data From Materials Project: {formula:Cd4SiSe6,spaceGroup:Cc,id:mp-17791} |
| RD_356582502604_000 | computation | Reference Data From Materials Project: {formula:Ca(CdAs)2,spaceGroup:P-3m1,id:mp-7067} |
| RD_357590880920_000 | computation | Reference Data From Materials Project: {formula:Cd(W3Br7)2,spaceGroup:Pn3,id:mp-29052} |
| RD_357780323872_000 | computation | Reference Data From Materials Project: {formula:ScCdRh2,spaceGroup:Fm-3m,id:mp-867909} |
| RD_359637911267_000 | computation | Reference Data From Materials Project: {formula:CsHoCdTe3,spaceGroup:Cmcm,id:mp-12490} |
| RD_359687656434_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_359985778697_000 | computation | Reference Data From Materials Project: {formula:HoCdCu4,spaceGroup:F-43m,id:mp-12007} |
| RD_360265886373_000 | computation | Reference Data From Materials Project: {formula:EuCd3,spaceGroup:Fm-3m,id:mp-864634} |
| RD_360824113047_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_361406874370_000 | computation | Reference Data From Materials Project: {formula:MnCdF5,spaceGroup:P2_1/c,id:mp-566850} |
| RD_361799404902_000 | computation | Reference Data From Materials Project: {formula:U7Cd3O20,spaceGroup:C2/m,id:mp-686037} |
| RD_361944110679_000 | computation | Reference Data From Materials Project: {formula:Eu(CdP)2,spaceGroup:P-3m1,id:mp-22609} |
| RD_361996627996_000 | computation | Reference Data From Materials Project: {formula:YCd,spaceGroup:Pm-3m,id:mp-915} |
| RD_362451554772_000 | computation | Reference Data From Materials Project: {formula:Cd(CuO2)2,spaceGroup:I4_1/a,id:mp-772099} |
| RD_362760998676_000 | computation | Reference Data From Materials Project: {formula:Rb4V5CdClO15,spaceGroup:P4,id:mp-624130} |
| RD_363550612451_000 | computation | Reference Data From Materials Project: {formula:TiCdO3,spaceGroup:Pm-3m,id:mp-22345} |
| RD_363991036781_000 | computation | Reference Data From Materials Project: {formula:LiCd2Au,spaceGroup:Fm-3m,id:mp-867160} |
| RD_364311459122_000 | computation | Reference Data From Materials Project: {formula:Cd,spaceGroup:P6_3/mmc,id:mp-94} |
| RD_364540350295_000 | computation | Reference Data From Materials Project: {formula:Cd2Bi6O11,spaceGroup:P1,id:mp-676923} |
| RD_365472074733_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_365993784093_000 | computation | CdTe 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_366127717055_000 | computation | Reference Data From Materials Project: {formula:La4CdCo,spaceGroup:F-43m,id:mp-581510} |
| RD_366130028106_000 | computation | Reference Data From Materials Project: {formula:Pm2CdSn,spaceGroup:Fm-3m,id:mp-863655} |
| RD_366325070400_000 | computation | Reference Data From Materials Project: {formula:Dy2TlCd,spaceGroup:Fm-3m,id:mp-866005} |
| RD_366786034047_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-582619} |
| RD_366799861179_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_367689561202_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567296} |
| RD_367814160492_000 | computation | Reference Data From Materials Project: {formula:V3Cd,spaceGroup:Pm-3n,id:mp-568564} |
| RD_369090207176_000 | computation | Reference Data From Materials Project: {formula:Li2CdSn,spaceGroup:Fm-3m,id:mp-12580} |
| RD_369900685646_000 | computation | Reference Data From Materials Project: {formula:Li2CdSn,spaceGroup:Fm-3m,id:mp-12580} |
| RD_369904836235_000 | computation | Reference Data From Materials Project: {formula:K2Cd(CN)4,spaceGroup:Fd-3m,id:mp-20623} |
| RD_369967176516_000 | computation | Reference Data From Materials Project: {formula:SrCd11,spaceGroup:I4_1/amd,id:mp-569954} |
| RD_370600183646_000 | computation | Reference Data From Materials Project: {formula:Cd2GeAs4,spaceGroup:Pnma,id:mp-5712} |
| RD_372603411408_000 | computation | Reference Data From Materials Project: {formula:CsLaCdTe3,spaceGroup:Cmcm,id:mp-12491} |
| RD_372822341113_000 | computation | Reference Data From Materials Project: {formula:Cd3PCl3,spaceGroup:P-3m1,id:mp-29415} |
| RD_373120923450_000 | computation | Reference Data From Materials Project: {formula:YCd,spaceGroup:Pm-3m,id:mp-915} |
| RD_373529948096_000 | computation | Reference Data From Materials Project: {formula:CsPrCdTe3,spaceGroup:Cmcm,id:mp-12494} |
| RD_374048848376_000 | computation | Reference Data From Materials Project: {formula:Cd(HN2)4,spaceGroup:P2_1/c,id:mp-604337} |
| RD_374275380722_000 | computation | Reference Data From Materials Project: {formula:Cd(InSe2)2,spaceGroup:Fd-3m,id:mp-22587} |
| RD_375536960129_000 | computation | Reference Data From Materials Project: {formula:NaVCdO4,spaceGroup:Ccmm,id:mp-19449} |
| RD_376363766778_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571668} |
| RD_376410389603_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_376982048133_000 | computation | Reference Data From Materials Project: {formula:SrCd2,spaceGroup:Imma,id:mp-677} |
| RD_377194160635_000 | computation | Reference Data From Materials Project: {formula:Cd85Pd27,spaceGroup:F2mm,id:mp-647220} |
| RD_378220020410_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571607} |
| RD_378573345323_000 | computation | Reference Data From Materials Project: {formula:PmCdAg2,spaceGroup:Fm-3m,id:mp-862889} |
| RD_379392257664_000 | computation | Reference Data From Materials Project: {formula:Pm2CdSi,spaceGroup:Fm-3m,id:mp-863654} |
| RD_380344694542_000 | computation | Reference Data From Materials Project: {formula:V2Cd(PO5)2,spaceGroup:F2dd,id:mp-565358} |
| RD_382987111907_000 | computation | Reference Data From Materials Project: {formula:CdPd(CN)6,spaceGroup:Fm-3m,id:mp-606650} |
| RD_383383386795_000 | computation | Reference Data From Materials Project: {formula:CdSeO3,spaceGroup:Pbnm,id:mp-9186} |
| RD_383690063102_000 | computation | Reference Data From Materials Project: {formula:LiCd2Pt,spaceGroup:Fm-3m,id:mp-867206} |
| RD_383732428137_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_384275777454_000 | computation | Reference Data From Materials Project: {formula:CdP2(HO)4,spaceGroup:C2/c,id:mp-24316} |
| RD_384501200985_000 | computation | Reference Data From Materials Project: {formula:Sr(CdP)2,spaceGroup:P-3m1,id:mp-8277} |
| RD_384725254202_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P6_3mc,id:mp-570054} |
| RD_385077245492_000 | computation | Reference Data From Materials Project: {formula:Sr2CdIn,spaceGroup:Fm-3m,id:mp-862720} |
| RD_387308827052_000 | computation | Reference Data From Materials Project: {formula:TiCdO3,spaceGroup:R-3,id:mp-13641} |
| RD_387526797579_000 | computation | Reference Data From Materials Project: {formula:CdP2,spaceGroup:P4_12_12,id:mp-12112} |
| RD_388185590479_000 | computation | Reference Data From Materials Project: {formula:CdGe(BiO3)2,spaceGroup:P2_1/c,id:mp-554740} |
| RD_388513397283_000 | computation | Reference Data From Materials Project: {formula:Cd2P2O7,spaceGroup:P-1,id:mp-27686} |
| RD_388550222712_000 | computation | Reference Data From Materials Project: {formula:Cd2P3Cl,spaceGroup:C2/c,id:mp-644431} |
| RD_389041234157_000 | computation | Reference Data From Materials Project: {formula:CdSe,spaceGroup:F-43m,id:mp-2691} |
| RD_389870180418_000 | computation | Reference Data From Materials Project: {formula:Cr2CdSe4,spaceGroup:Fd-3m,id:mp-22605} |
| RD_392496648592_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P6_3mc,id:mp-569994} |
| RD_392742727254_000 | computation | Reference Data From Materials Project: {formula:AcCd3,spaceGroup:P6_3/mmc,id:mp-867890} |
| RD_392773745941_000 | computation | Reference Data From Materials Project: {formula:La2CdSe4,spaceGroup:I-42d,id:mp-36733} |
| RD_393162386706_000 | computation | Reference Data From Materials Project: {formula:Cd3(AsO4)2,spaceGroup:P2_1/c,id:mp-13602} |
| RD_395010989201_000 | computation | Reference Data From Materials Project: {formula:Cd2PdRh,spaceGroup:Fm-3m,id:mp-865926} |
| RD_395033035167_000 | computation | Reference Data From Materials Project: {formula:Cd2Os(CN)6,spaceGroup:P-31m,id:mp-568932} |
| RD_395064866999_000 | computation | Reference Data From Materials Project: {formula:YCdHg2,spaceGroup:Fm-3m,id:mp-865525} |
| RD_395129722762_000 | computation | Reference Data From Materials Project: {formula:CaCd,spaceGroup:Pm-3m,id:mp-1073} |
| RD_395758205000_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571091} |
| RD_396290611027_000 | computation | Reference Data From Materials Project: {formula:PmCdPd2,spaceGroup:Fm-3m,id:mp-862898} |
| RD_396873238747_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:P3_121,id:mp-1492} |
| RD_397289112800_000 | computation | Reference Data From Materials Project: {formula:LiCdPd2,spaceGroup:Fm-3m,id:mp-867924} |
| RD_397591357506_000 | computation | Reference Data From Materials Project: {formula:YTi2CdO6F,spaceGroup:Imcm,id:mp-686765} |
| RD_397804705279_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:Pm-3m,id:mp-1264} |
| RD_398365206166_000 | computation | Reference Data From Materials Project: {formula:Ca(CdSb)2,spaceGroup:P-3m1,id:mp-7430} |
| RD_398760525531_000 | computation | Reference Data From Materials Project: {formula:Cr2CdO4,spaceGroup:Fd-3m,id:mp-19262} |
| RD_399673390451_000 | computation | Reference Data From Materials Project: {formula:CdH16C4S4(N4Cl)2,spaceGroup:P4_2/n,id:mp-699261} |
| RD_399676121027_000 | computation | Reference Data From Materials Project: {formula:CdH6C4(S2O)2,spaceGroup:C2/c,id:mp-698349} |
| RD_400479754723_000 | computation | Reference Data From Materials Project: {formula:CeCd3,spaceGroup:Fm-3m,id:mp-2863} |
| RD_401177321311_000 | computation | Reference Data From Materials Project: {formula:Li2CdPb,spaceGroup:F-43m,id:mp-11304} |
| RD_401390394091_000 | computation | Reference Data From Materials Project: {formula:PmCd3,spaceGroup:Fm-3m,id:mp-862899} |
| RD_401585361767_000 | computation | Reference Data From Materials Project: {formula:YbCdPd2,spaceGroup:Fm-3m,id:mp-865744} |
| RD_402285615525_000 | computation | Reference Data From Materials Project: {formula:CdF2,spaceGroup:Fm-3m,id:mp-241} |
| RD_402863275524_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_403745387129_000 | computation | Reference Data From Materials Project: {formula:KCd6H4C12ClO26,spaceGroup:P1,id:mp-720082} |
| RD_403985554801_000 | computation | Reference Data From Materials Project: {formula:PaCdPt2,spaceGroup:Fm-3m,id:mp-861974} |
| RD_404391324858_000 | computation | CdSe 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_404967965715_000 | computation | Reference Data From Materials Project: {formula:CdFe2Sb2(PO4)6,spaceGroup:R-3,id:mp-703231} |
| RD_405380616489_000 | computation | Reference Data From Materials Project: {formula:Y4CdRu,spaceGroup:F-43m,id:mp-568156} |
| RD_405638901021_000 | computation | Reference Data From Materials Project: {formula:EuCd,spaceGroup:Pm-3m,id:mp-580236} |
| RD_405824366328_000 | computation | Reference Data From Materials Project: {formula:K14(Tl7Cd3)3,spaceGroup:P-62m,id:mp-569896} |
| RD_405956986412_000 | computation | Reference Data From Materials Project: {formula:Cd2Te2O7,spaceGroup:P-1,id:mp-30940} |
| RD_406081571281_000 | computation | Reference Data From Materials Project: {formula:CdSeO4,spaceGroup:Pmn2_1,id:mp-772052} |
| RD_406158878432_000 | computation | Reference Data From Materials Project: {formula:NaCdSb,spaceGroup:Pmnb,id:mp-13459} |
| RD_406694963306_000 | computation | Reference Data From Materials Project: {formula:ErCdRh2,spaceGroup:Fm-3m,id:mp-863739} |
| RD_406866671774_000 | computation | Reference Data From Materials Project: {formula:Cd3As2,spaceGroup:Pn-3m,id:mp-10762} |
| RD_408192452335_000 | computation | Reference Data From Materials Project: {formula:Cd3Se3O10,spaceGroup:P2_1,id:mp-542117} |
| RD_409055157088_000 | computation | Reference Data From Materials Project: {formula:Nb2Cd2O7,spaceGroup:Fd-3m,id:mp-647999} |
| RD_410336266288_000 | computation | Reference Data From Materials Project: {formula:Tl2Cd2(SO4)3,spaceGroup:P2_12_12_1,id:mp-556819} |
| RD_410547071127_000 | computation | CdSe 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_413044884571_000 | computation | Reference Data From Materials Project: {formula:YCdAu2,spaceGroup:Fm-3m,id:mp-865522} |
| RD_413355368345_000 | computation | Reference Data From Materials Project: {formula:CdBr2,spaceGroup:R-3m,id:mp-568690} |
| RD_415095781679_000 | computation | Reference Data From Materials Project: {formula:Cd3Au,spaceGroup:P6_3cm,id:mp-30370} |
| RD_415688500981_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571593} |
| RD_415761511172_000 | computation | Reference Data From Materials Project: {formula:Ta2CdBi,spaceGroup:F-43m,id:mp-631451} |
| RD_415976545424_000 | computation | Reference Data From Materials Project: {formula:TbCdF6,spaceGroup:P4_2/m,id:mp-22690} |
| RD_416639115320_000 | computation | Reference Data From Materials Project: {formula:ScCdPd2,spaceGroup:Fm-3m,id:mp-867911} |
| RD_416749144382_000 | computation | Reference Data From Materials Project: {formula:NdTi2CdO6F,spaceGroup:Imcm,id:mp-677732} |
| RD_417202440974_000 | computation | Reference Data From Materials Project: {formula:PmCdRh2,spaceGroup:Fm-3m,id:mp-862896} |
| RD_418849067467_000 | computation | Reference Data From Materials Project: {formula:Lu2CdS4,spaceGroup:Fd-3m,id:mp-8269} |
| RD_419610110878_000 | computation | Reference Data From Materials Project: {formula:CdPbF6,spaceGroup:R-3,id:mp-37216} |
| RD_419839396586_000 | computation | Reference Data From Materials Project: {formula:Cd(C2N3)2,spaceGroup:Pnnm,id:mp-11646} |
| RD_420911456000_000 | computation | Reference Data From Materials Project: {formula:SmCd(BO2)5,spaceGroup:P2_1/c,id:mp-14556} |
| RD_420998263901_000 | computation | Reference Data From Materials Project: {formula:ThCd(MoO4)3,spaceGroup:P6_3/m,id:mp-687105} |
| RD_421293047115_000 | computation | Reference Data From Materials Project: {formula:ThCd(MoO4)3,spaceGroup:P6_3/m,id:mp-687105} |
| RD_421561896328_000 | computation | Reference Data From Materials Project: {formula:Cd3TeO6,spaceGroup:P2_1/c,id:mp-14243} |
| RD_421679893972_000 | computation | Reference Data From Materials Project: {formula:Cd(BO2)2,spaceGroup:Pccn,id:mp-778103} |
| RD_421926095571_000 | computation | Reference Data From Materials Project: {formula:ScCd3,spaceGroup:P6_3/mmc,id:mp-30494} |
| RD_422319024624_000 | computation | Reference Data From Materials Project: {formula:Cd4B6O13,spaceGroup:I-43m,id:mp-755260} |
| RD_422911702562_000 | computation | Reference Data From Materials Project: {formula:Cd4B6O13,spaceGroup:I-43m,id:mp-755260} |
| RD_423340704371_000 | computation | Reference Data From Materials Project: {formula:Ca3CdO4,spaceGroup:Cmmm,id:mp-755287} |
| RD_423921215704_000 | computation | Reference Data From Materials Project: {formula:Cd4As2I3,spaceGroup:Pa3,id:mp-27528} |
| RD_424659962150_000 | computation | CdTe 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_425570067600_000 | computation | Reference Data From Materials Project: {formula:V2CdO6,spaceGroup:C2/m,id:mp-561909} |
| RD_425634455934_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_426008720223_000 | computation | Reference Data From Materials Project: {formula:Na2CdSn,spaceGroup:P6_3/mmc,id:mp-30492} |
| RD_426175038645_000 | computation | Reference Data From Materials Project: {formula:LuCdRh2,spaceGroup:Fm-3m,id:mp-865796} |
| RD_426295531545_000 | computation | Reference Data From Materials Project: {formula:KV3Cd4O12,spaceGroup:Cc,id:mp-566090} |
| RD_428098249307_000 | computation | Reference Data From Materials Project: {formula:NaCdO2,spaceGroup:R-3m,id:mp-754567} |
| RD_428240788456_000 | computation | Reference Data From Materials Project: {formula:NpCdPt2,spaceGroup:Fm-3m,id:mp-864787} |
| RD_428274292584_000 | computation | Reference Data From Materials Project: {formula:LuMgCd2,spaceGroup:Fm-3m,id:mp-865223} |
| RD_429598138149_000 | computation | Reference Data From Materials Project: {formula:LuCdAg2,spaceGroup:Fm-3m,id:mp-865977} |
| RD_430064074711_000 | computation | Reference Data From Materials Project: {formula:Sc2CdIn,spaceGroup:Fm-3m,id:mp-862711} |
| RD_430383215031_000 | computation | Reference Data From Materials Project: {formula:HfCdCu2,spaceGroup:Fm-3m,id:mp-865164} |
| RD_430550108056_000 | computation | Reference Data From Materials Project: {formula:CaCdPb,spaceGroup:P-62m,id:mp-623089} |
| RD_430796810872_000 | computation | CaCd in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_431465917826_000 | computation | Reference Data From Materials Project: {formula:YbTi2CdO6F,spaceGroup:Imcm,id:mp-677010} |
| RD_432929639944_000 | computation | Reference Data From Materials Project: {formula:MgCdAu2,spaceGroup:Fm-3m,id:mp-865150} |
| RD_433331710056_000 | computation | Reference Data From Materials Project: {formula:Cd4As2I3,spaceGroup:Pa3,id:mp-27528} |
| RD_433704019618_000 | computation | Reference Data From Materials Project: {formula:CdCO3,spaceGroup:R-3m,id:mp-654812} |
| RD_433787678268_000 | computation | Reference Data From Materials Project: {formula:K2SrCdSb2,spaceGroup:Pmc2_1,id:mp-867336} |
| RD_433843408464_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680112} |
| RD_434044277987_000 | computation | Reference Data From Materials Project: {formula:YbCd,spaceGroup:Pm-3m,id:mp-1857} |
| RD_434146327572_000 | computation | Reference Data From Materials Project: {formula:CdHg2,spaceGroup:I4/mmm,id:mp-30488} |
| RD_434738994124_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-624400} |
| RD_435889913232_000 | computation | Reference Data From Materials Project: {formula:K2Cd(NO2)4,spaceGroup:Pcmn,id:mp-560982} |
| RD_435939937539_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680092} |
| RD_436042462032_000 | computation | Reference Data From Materials Project: {formula:Rb2Cd2(SO4)3,spaceGroup:P2_13,id:mp-6623} |
| RD_437974060219_000 | computation | Reference Data From Materials Project: {formula:Na2CdCl4,spaceGroup:Pmcb,id:mp-28658} |
| RD_438556336326_000 | computation | Reference Data From Materials Project: {formula:BaCdGeS4,spaceGroup:F2dd,id:mp-13831} |
| RD_438695036655_000 | computation | Reference Data From Materials Project: {formula:Cd6(CoO3)5,spaceGroup:R32,id:mp-769964} |
| RD_439119026625_000 | computation | Reference Data From Materials Project: {formula:CaCd3O4,spaceGroup:Cmmm,id:mp-760403} |
| RD_439130702696_000 | computation | Reference Data From Materials Project: {formula:PuCdAu2,spaceGroup:Fm-3m,id:mp-862859} |
| RD_439171029440_000 | computation | Reference Data From Materials Project: {formula:La4CdRu,spaceGroup:F-43m,id:mp-570820} |
| RD_439385094206_000 | computation | Reference Data From Materials Project: {formula:ScCdAg2,spaceGroup:Fm-3m,id:mp-867127} |
| RD_440091847002_000 | computation | Reference Data From Materials Project: {formula:Na2CdO2,spaceGroup:P1,id:mp-675693} |
| RD_440424602212_000 | computation | Reference Data From Materials Project: {formula:Li2CdCl4,spaceGroup:Imma,id:mp-38008} |
| RD_440793763834_000 | computation | Reference Data From Materials Project: {formula:Nd2CdIn,spaceGroup:Fm-3m,id:mp-866067} |
| RD_440999456705_000 | computation | Reference Data From Materials Project: {formula:Dy2TlCd,spaceGroup:Fm-3m,id:mp-866005} |
| RD_441685883755_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_442482371634_000 | computation | Reference Data From Materials Project: {formula:Pr2CdPd2,spaceGroup:P4/mbm,id:mp-12974} |
| RD_443897701447_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_444141878637_000 | computation | Reference Data From Materials Project: {formula:CdGeO3,spaceGroup:Pbnm,id:mp-13003} |
| RD_444452713874_000 | computation | Reference Data From Materials Project: {formula:Ta2Cd(P2O7)3,spaceGroup:Pbnm,id:mp-559692} |
| RD_444999022301_000 | computation | Reference Data From Materials Project: {formula:Tl2CdGeTe4,spaceGroup:I-42m,id:mp-568890} |
| RD_445381468944_000 | computation | Reference Data From Materials Project: {formula:CdSeO4,spaceGroup:Cmcm,id:mp-761036} |
| RD_445641996613_000 | computation | Reference Data From Materials Project: {formula:CdNi,spaceGroup:Fd-3m,id:mp-11310} |
| RD_446703260040_000 | computation | Reference Data From Materials Project: {formula:CdIn2O4,spaceGroup:Fd-3m,id:mp-19803} |
| RD_447118763483_000 | computation | Reference Data From Materials Project: {formula:ScCd3,spaceGroup:P6_3/mmc,id:mp-30494} |
| RD_447961044897_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_448601046336_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570437} |
| RD_449294956536_000 | computation | Reference Data From Materials Project: {formula:ZrCd3,spaceGroup:Pm-3m,id:mp-11313} |
| RD_450689485288_000 | computation | Reference Data From Materials Project: {formula:BaCd,spaceGroup:Pm-3m,id:mp-527} |
| RD_450994346923_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_451807037302_000 | computation | Reference Data From Materials Project: {formula:Li2CdSb,spaceGroup:Fm-3m,id:mp-16271} |
| RD_453540529432_000 | computation | Reference Data From Materials Project: {formula:PrMgCd2,spaceGroup:Fm-3m,id:mp-867178} |
| RD_453703794404_000 | computation | Reference Data From Materials Project: {formula:Sr2CdWO6,spaceGroup:Pmnm,id:mp-18888} |
| RD_453730028571_000 | computation | Reference Data From Materials Project: {formula:HoCdCu4,spaceGroup:F-43m,id:mp-12007} |
| RD_454054381271_000 | computation | Reference Data From Materials Project: {formula:ZrCd3,spaceGroup:Pm-3m,id:mp-11313} |
| RD_455986541140_000 | computation | Reference Data From Materials Project: {formula:Eu(CdSb)2,spaceGroup:P-3m1,id:mp-19774} |
| RD_456952457435_000 | computation | Reference Data From Materials Project: {formula:Tm2CdOs,spaceGroup:Fm-3m,id:mp-865284} |
| RD_458151481081_000 | computation | Reference Data From Materials Project: {formula:SmCdAg2,spaceGroup:Fm-3m,id:mp-867853} |
| RD_458828539567_000 | computation | AuCd in AFLOW crystal prototype AB3_hP24_185_c_ab2c (Cu3P). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_459617572360_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570263} |
| RD_460006668008_000 | computation | Reference Data From Materials Project: {formula:CdSbAu,spaceGroup:F-43m,id:mp-16246} |
| RD_460104186701_000 | computation | Reference Data From Materials Project: {formula:Ca2CdH24(ClO2)6,spaceGroup:P2_1/c,id:mp-720868} |
| RD_460324022049_000 | computation | Reference Data From Materials Project: {formula:CdCuH8(ClO)4,spaceGroup:P-1,id:mp-753954} |
| RD_460373374349_000 | computation | Reference Data From Materials Project: {formula:CdSiP2,spaceGroup:I-42d,id:mp-4666} |
| RD_460407297852_000 | computation | Reference Data From Materials Project: {formula:Cd2As3I,spaceGroup:C2/c,id:mp-27577} |
| RD_461080052884_000 | computation | Reference Data From Materials Project: {formula:MgCdAg2,spaceGroup:Fm-3m,id:mp-30727} |
| RD_461154695175_000 | computation | Reference Data From Materials Project: {formula:KVCdO4,spaceGroup:P2_1/c,id:mp-578796} |
| RD_461947794539_000 | computation | Reference Data From Materials Project: {formula:ScCdRh2,spaceGroup:Fm-3m,id:mp-867909} |
| RD_462641850834_000 | computation | Reference Data From Materials Project: {formula:Cd(GaO2)2,spaceGroup:P3m1,id:mp-531238} |
| RD_463936302535_000 | computation | Reference Data From Materials Project: {formula:LaCdAu2,spaceGroup:Fm-3m,id:mp-862743} |
| RD_465044944387_000 | computation | AuCd in AFLOW crystal prototype A3B5_tI32_140_ah_bk (W5Si3). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_465470323445_000 | computation | Reference Data From Materials Project: {formula:LuCd2,spaceGroup:P6/mmm,id:mp-865732} |
| RD_465619512161_000 | computation | Reference Data From Materials Project: {formula:KCdC3(NO)3,spaceGroup:Pmnb,id:mp-17799} |
| RD_466685988025_000 | computation | Reference Data From Materials Project: {formula:NaCdH3(CO2)3,spaceGroup:Pcca,id:mp-557366} |
| RD_466948412101_000 | computation | Reference Data From Materials Project: {formula:Li2CdSb,spaceGroup:Fm-3m,id:mp-16271} |
| RD_466974909429_000 | computation | Reference Data From Materials Project: {formula:Sr2CdWO6,spaceGroup:I4/m,id:mp-18757} |
| RD_469800683245_000 | computation | AuCd in AFLOW crystal prototype A3B_cP4_221_c_a (Cu3Au). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_469857287742_000 | computation | Reference Data From Materials Project: {formula:ErCdPd2,spaceGroup:Fm-3m,id:mp-863738} |
| RD_470119398563_000 | computation | Reference Data From Materials Project: {formula:ZrCdCu2,spaceGroup:Fm-3m,id:mp-11293} |
| RD_470749360505_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3SeO12,spaceGroup:P-43n,id:mp-16793} |
| RD_471379740668_000 | computation | Reference Data From Materials Project: {formula:TbCsCdSe3,spaceGroup:Cmcm,id:mp-11121} |
| RD_472664831549_000 | computation | Reference Data From Materials Project: {formula:CaCd2,spaceGroup:Imma,id:mp-1444} |
| RD_473123107622_000 | computation | Reference Data From Materials Project: {formula:Cd4Sb2I3,spaceGroup:Pa3,id:mp-29044} |
| RD_473607742825_000 | computation | Reference Data From Materials Project: {formula:Na6CdCl8,spaceGroup:Fm-3m,id:mp-28022} |
| RD_473726735539_000 | computation | Reference Data From Materials Project: {formula:TiCd,spaceGroup:P4/nmm,id:mp-30500} |
| RD_474117696379_000 | computation | Reference Data From Materials Project: {formula:CsCd(PO3)3,spaceGroup:Pmnb,id:mp-13738} |
| RD_475801216707_000 | computation | Reference Data From Materials Project: {formula:CaCdAu,spaceGroup:Pmnb,id:mp-569628} |
| RD_476541183524_000 | computation | Reference Data From Materials Project: {formula:CaCdHg2,spaceGroup:Fm-3m,id:mp-866104} |
| RD_476979520565_000 | computation | Reference Data From Materials Project: {formula:CaCdSi,spaceGroup:F-43m,id:mp-962078} |
| RD_477051223251_000 | computation | Reference Data From Materials Project: {formula:Ce2CdS4,spaceGroup:I-42d,id:mp-34145} |
| RD_477207614440_000 | computation | Reference Data From Materials Project: {formula:Al2CdSe4,spaceGroup:Fd-3m,id:mp-3807} |
| RD_477586766267_000 | computation | Reference Data From Materials Project: {formula:Li2CdSb,spaceGroup:Fm-3m,id:mp-16271} |
| RD_477932027582_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:R3m,id:mp-574663} |
| RD_478577159403_000 | computation | Reference Data From Materials Project: {formula:Cd(Ga3Te5)2,spaceGroup:C2,id:mp-36641} |
| RD_478873765926_000 | computation | Reference Data From Materials Project: {formula:RbCd(NO2)3,spaceGroup:R3,id:mp-11016} |
| RD_479082418096_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_479126389923_000 | computation | Reference Data From Materials Project: {formula:Na14Cd2O9,spaceGroup:P-3,id:mp-27559} |
| RD_479331942065_000 | computation | Reference Data From Materials Project: {formula:CdH4Br3N,spaceGroup:Pmnb,id:mp-541375} |
| RD_479651003874_000 | computation | Reference Data From Materials Project: {formula:CeCdAu2,spaceGroup:Fm-3m,id:mp-866185} |
| RD_480203983348_000 | computation | Reference Data From Materials Project: {formula:V2CdO4,spaceGroup:Fd-3m,id:mp-18847} |
| RD_481407816011_000 | computation | Reference Data From Materials Project: {formula:TlCdRh2,spaceGroup:Fm-3m,id:mp-866188} |
| RD_481680059969_000 | computation | Reference Data From Materials Project: {formula:DyCd2,spaceGroup:P6/mmm,id:mp-11294} |
| RD_481840780104_000 | computation | Reference Data From Materials Project: {formula:LiCd2Ag,spaceGroup:Fm-3m,id:mp-867204} |
| RD_482168190870_000 | computation | Reference Data From Materials Project: {formula:CeCd,spaceGroup:P4/mmm,id:mp-11291} |
| RD_482773458385_000 | computation | Reference Data From Materials Project: {formula:GdCdAu2,spaceGroup:Fm-3m,id:mp-866167} |
| RD_483015484954_000 | computation | Reference Data From Materials Project: {formula:Cd3AsI3,spaceGroup:Pm,id:mp-676464} |
| RD_483135643030_000 | computation | Reference Data From Materials Project: {formula:Cd4P2Cl3,spaceGroup:Pa3,id:mp-29746} |
| RD_483182158958_000 | computation | Reference Data From Materials Project: {formula:CaCd,spaceGroup:Pm-3m,id:mp-1073} |
| RD_483245943636_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P6_3mc,id:mp-570054} |
| RD_484751489419_000 | computation | Reference Data From Materials Project: {formula:AcMgCd2,spaceGroup:Fm-3m,id:mp-865979} |
| RD_484775814374_000 | computation | Reference Data From Materials Project: {formula:LiCd,spaceGroup:Fd-3m,id:mp-1437} |
| RD_484822498862_000 | computation | Reference Data From Materials Project: {formula:PmCdPt2,spaceGroup:Fm-3m,id:mp-862897} |
| RD_484926846887_000 | computation | Reference Data From Materials Project: {formula:Cd(AsO3)2,spaceGroup:P-31m,id:mp-7128} |
| RD_485161251331_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_485776775567_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_487561634956_000 | computation | Reference Data From Materials Project: {formula:V3CdO7,spaceGroup:Pbnm,id:mp-561359} |
| RD_487970508304_000 | computation | Reference Data From Materials Project: {formula:Ho2CdS4,spaceGroup:Cm,id:mp-531811} |
| RD_487980307912_000 | computation | Reference Data From Materials Project: {formula:CdInGaS4,spaceGroup:P-3m1,id:mp-630773} |
| RD_488439308645_000 | computation | Reference Data From Materials Project: {formula:CsCdBr3,spaceGroup:P6_3/mmc,id:mp-541899} |
| RD_489527671010_000 | computation | Reference Data From Materials Project: {formula:Mn3Cd2O8,spaceGroup:C2/m,id:mp-18870} |
| RD_489620142878_000 | computation | Reference Data From Materials Project: {formula:NdMgCd2,spaceGroup:Fm-3m,id:mp-866065} |
| RD_489779918556_000 | computation | Reference Data From Materials Project: {formula:Cd2P6O17,spaceGroup:P2_1/c,id:mp-29276} |
| RD_489855490108_000 | computation | Reference Data From Materials Project: {formula:CdH2(SO4)2,spaceGroup:P2_1/c,id:mp-756998} |
| RD_489906589485_000 | computation | Reference Data From Materials Project: {formula:DyCdAu2,spaceGroup:Fm-3m,id:mp-867827} |
| RD_490037636145_000 | computation | Reference Data From Materials Project: {formula:CsDyCdTe3,spaceGroup:Cmcm,id:mp-12487} |
| RD_490071292420_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680112} |
| RD_490625470594_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680113} |
| RD_491101565817_000 | computation | Reference Data From Materials Project: {formula:Sm2TlCd,spaceGroup:Fm-3m,id:mp-867191} |
| RD_491252920785_000 | computation | Reference Data From Materials Project: {formula:CdPtF6,spaceGroup:R-3,id:mp-5858} |
| RD_491293844767_000 | computation | Reference Data From Materials Project: {formula:Ba11(Cd4Bi7)2,spaceGroup:P-1,id:mp-607525} |
| RD_491764135727_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_494266016864_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_494580667948_000 | computation | Reference Data From Materials Project: {formula:MnCdO2,spaceGroup:P4/mmm,id:mp-763469} |
| RD_494952621669_000 | computation | CdSe 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_495361457565_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_495761401682_000 | computation | Reference Data From Materials Project: {formula:TmCd2,spaceGroup:P6/mmm,id:mp-11311} |
| RD_497743765243_000 | computation | Reference Data From Materials Project: {formula:Cd(InSe2)2,spaceGroup:Fd-3m,id:mp-22587} |
| RD_498355307393_000 | computation | Reference Data From Materials Project: {formula:Na2CdPb,spaceGroup:F-43m,id:mp-20389} |
| RD_498446842106_000 | computation | Reference Data From Materials Project: {formula:CdSeO3,spaceGroup:P2_1/c,id:mp-559203} |
| RD_498545451480_000 | computation | Reference Data From Materials Project: {formula:Pm2CdSn,spaceGroup:Fm-3m,id:mp-863655} |
| RD_499482773792_000 | computation | Reference Data From Materials Project: {formula:AcCdRh2,spaceGroup:Fm-3m,id:mp-861880} |
| RD_499937406713_000 | computation | Reference Data From Materials Project: {formula:Sr(CdSb)2,spaceGroup:P-3m1,id:mp-7432} |
| RD_500742000085_000 | computation | Reference Data From Materials Project: {formula:CdH9C3NCl3,spaceGroup:P6_3/m,id:mp-698392} |
| RD_502936353727_000 | computation | Reference Data From Materials Project: {formula:Cd(GaO2)2,spaceGroup:R3m,id:mp-531175} |
| RD_502989404573_000 | computation | AuCd in AFLOW crystal prototype A3B_cP4_221_c_a (Cu3Au). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_503285788347_000 | computation | Reference Data From Materials Project: {formula:Al2CdSe4,spaceGroup:I-4,id:mp-3159} |
| RD_503518444106_000 | computation | Reference Data From Materials Project: {formula:Pr2CdSe4,spaceGroup:I-42d,id:mp-35630} |
| RD_503958278026_000 | computation | Reference Data From Materials Project: {formula:Ba4Sm2Cd3S10,spaceGroup:Cmc2_1,id:mp-10410} |
| RD_505202800699_000 | computation | Reference Data From Materials Project: {formula:YCdPd2,spaceGroup:Fm-3m,id:mp-865520} |
| RD_505306225949_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_505589499722_000 | computation | CdS 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_505624471603_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_505910466718_000 | computation | Reference Data From Materials Project: {formula:La2CdRh2,spaceGroup:P4/mbm,id:mp-13429} |
| RD_506609277090_000 | computation | Reference Data From Materials Project: {formula:LuCdRh2,spaceGroup:Fm-3m,id:mp-865796} |
| RD_508366758072_000 | computation | Reference Data From Materials Project: {formula:Na2Cd(SO4)2,spaceGroup:C2/c,id:mp-558198} |
| RD_509563613394_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3TeO12,spaceGroup:P-43n,id:mp-17167} |
| RD_509911595697_000 | computation | Reference Data From Materials Project: {formula:Sc2Cd3(GeO4)3,spaceGroup:Ia-3d,id:mp-13771} |
| RD_510110242691_000 | computation | Reference Data From Materials Project: {formula:Dy2CdS4,spaceGroup:Fd-3m,id:mp-16267} |
| RD_510287740258_000 | computation | Reference Data From Materials Project: {formula:Ho2CdS4,spaceGroup:I-4m2,id:mp-34735} |
| RD_511233742411_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:P6_3mc,id:mp-12779} |
| RD_511750073671_000 | computation | Reference Data From Materials Project: {formula:LiCd2Pd,spaceGroup:Fm-3m,id:mp-867196} |
| RD_512103733188_000 | computation | Reference Data From Materials Project: {formula:Sr(CdP)2,spaceGroup:P-3m1,id:mp-8277} |
| RD_512224220377_000 | computation | Reference Data From Materials Project: {formula:YMgCd2,spaceGroup:Fm-3m,id:mp-865512} |
| RD_515517067706_000 | computation | Reference Data From Materials Project: {formula:ThCdPt2,spaceGroup:Fm-3m,id:mp-861644} |
| RD_515720689523_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571091} |
| RD_516059997608_000 | computation | Reference Data From Materials Project: {formula:LiCdPd2,spaceGroup:Fm-3m,id:mp-867924} |
| RD_516755741783_000 | computation | Reference Data From Materials Project: {formula:Sr2CdPb,spaceGroup:Fm-3m,id:mp-862721} |
| RD_517645126544_000 | computation | Reference Data From Materials Project: {formula:GdCd2,spaceGroup:P6/mmm,id:mp-20965} |
| RD_518991338171_000 | computation | Reference Data From Materials Project: {formula:LaCd,spaceGroup:Pm-3m,id:mp-776} |
| RD_519168427623_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_520272481555_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680114} |
| RD_520558763301_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_521284371154_000 | computation | Reference Data From Materials Project: {formula:CaCd2,spaceGroup:P6_3/mmc,id:mp-1078} |
| RD_523490270362_000 | computation | Reference Data From Materials Project: {formula:CsCdCl3,spaceGroup:P6_3/mmc,id:mp-619015} |
| RD_523550764334_000 | computation | Reference Data From Materials Project: {formula:V2CdP2O9,spaceGroup:Pmcn,id:mp-25794} |
| RD_523874550443_000 | computation | Reference Data From Materials Project: {formula:Tl8(CdN14)3,spaceGroup:P-1,id:mp-647556} |
| RD_524742698737_000 | computation | Reference Data From Materials Project: {formula:Al2CdS4,spaceGroup:Fd-3m,id:mp-9993} |
| RD_526919944724_000 | computation | Reference Data From Materials Project: {formula:KRb3CdCl6,spaceGroup:R-3c,id:mp-570158} |
| RD_526947930731_000 | computation | Reference Data From Materials Project: {formula:YbCdAu,spaceGroup:Pmnb,id:mp-11085} |
| RD_527170551237_000 | computation | Reference Data From Materials Project: {formula:SrCd(PO3)4,spaceGroup:P2_1/c,id:mp-541367} |
| RD_527963588251_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571539} |
| RD_528113372515_000 | computation | Reference Data From Materials Project: {formula:Rb2CdSi5O12,spaceGroup:Pbca,id:mp-15125} |
| RD_528415830105_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_529366796981_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571568} |
| RD_529553296394_000 | computation | Reference Data From Materials Project: {formula:Yb2CdGe,spaceGroup:Fm-3m,id:mp-864732} |
| RD_530146174314_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_531753927186_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570165} |
| RD_532641857420_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_532835697884_000 | computation | Reference Data From Materials Project: {formula:HoCd2,spaceGroup:P6/mmm,id:mp-11301} |
| RD_532937742249_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570437} |
| RD_534093793797_000 | computation | Reference Data From Materials Project: {formula:Li2MgCd,spaceGroup:Fm-3m,id:mp-866194} |
| RD_534964382075_000 | computation | Reference Data From Materials Project: {formula:Cd2P3Br,spaceGroup:C2/c,id:mp-29245} |
| RD_535640392358_000 | computation | Reference Data From Materials Project: {formula:CdInS2,spaceGroup:P-3m1,id:mp-20519} |
| RD_535725123543_000 | computation | CdSe 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_536776188273_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570314} |
| RD_536792679480_000 | computation | Reference Data From Materials Project: {formula:ThCdAu2,spaceGroup:Fm-3m,id:mp-867353} |
| RD_539080502716_000 | computation | Reference Data From Materials Project: {formula:KCd(NO2)3,spaceGroup:Pm3,id:mp-22770} |
| RD_539258004755_000 | computation | Reference Data From Materials Project: {formula:HoCd,spaceGroup:Pm-3m,id:mp-170} |
| RD_539934792934_000 | computation | Reference Data From Materials Project: {formula:CsCdF3,spaceGroup:Pm-3m,id:mp-8399} |
| RD_541316794951_000 | computation | Reference Data From Materials Project: {formula:Ba6CdAg2(SnS4)4,spaceGroup:I-42d,id:mp-532680} |
| RD_541368859235_000 | computation | Reference Data From Materials Project: {formula:La2CdTe4,spaceGroup:I-42d,id:mp-674329} |
| RD_541475760686_000 | computation | Reference Data From Materials Project: {formula:La2TlCd,spaceGroup:Fm-3m,id:mp-867880} |
| RD_541682153918_000 | computation | Reference Data From Materials Project: {formula:CdRhF6,spaceGroup:R-3,id:mp-15638} |
| RD_541709937780_000 | computation | Reference Data From Materials Project: {formula:Ca3AlCd17,spaceGroup:R3,id:mp-680394} |
| RD_541858856105_000 | computation | Reference Data From Materials Project: {formula:CdRuIr,spaceGroup:F-43m,id:mp-631388} |
| RD_543310721588_000 | computation | Reference Data From Materials Project: {formula:TmCdAg2,spaceGroup:Fm-3m,id:mp-865873} |
| RD_543958716120_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571538} |
| RD_544333665543_000 | computation | Reference Data From Materials Project: {formula:RbCd(NO2)3,spaceGroup:Pm3,id:mp-22597} |
| RD_544586687449_000 | computation | Reference Data From Materials Project: {formula:Y2TlCd,spaceGroup:Fm-3m,id:mp-865651} |
| RD_544617126855_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570019} |
| RD_544724844482_000 | computation | Reference Data From Materials Project: {formula:PmCdHg2,spaceGroup:Fm-3m,id:mp-862892} |
| RD_544751703321_000 | computation | Reference Data From Materials Project: {formula:CdAgPd2,spaceGroup:Fm-3m,id:mp-867260} |
| RD_544827470411_000 | computation | Reference Data From Materials Project: {formula:Cs2Cr4Cd(HO4)4,spaceGroup:P-1,id:mp-602267} |
| RD_545141686598_000 | computation | Reference Data From Materials Project: {formula:Cd(AsO3)2,spaceGroup:P-31m,id:mp-7128} |
| RD_545875754614_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571595} |
| RD_546008936729_000 | computation | Reference Data From Materials Project: {formula:TbCd2,spaceGroup:P6/mmm,id:mp-30497} |
| RD_546270058391_000 | computation | Reference Data From Materials Project: {formula:MgCd,spaceGroup:Pmmb,id:mp-11307} |
| RD_546642335347_000 | computation | Reference Data From Materials Project: {formula:CaCdSn,spaceGroup:P-62m,id:mp-568695} |
| RD_546871036088_000 | computation | Reference Data From Materials Project: {formula:Cd5P3ClO12,spaceGroup:P6_3/m,id:mp-23643} |
| RD_547392278359_000 | computation | Reference Data From Materials Project: {formula:Ta2Cd2O7,spaceGroup:Fd-3m,id:mp-5548} |
| RD_547641797668_000 | computation | Reference Data From Materials Project: {formula:YbCdAg2,spaceGroup:Fm-3m,id:mp-865739} |
| RD_548294142294_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567402} |
| RD_548615091173_000 | computation | Reference Data From Materials Project: {formula:EuCd,spaceGroup:Pm-3m,id:mp-580236} |
| RD_548642555572_000 | computation | Reference Data From Materials Project: {formula:Cd(GaSe2)2,spaceGroup:I-4,id:mp-3772} |
| RD_548995236172_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571578} |
| RD_549597015640_000 | computation | Reference Data From Materials Project: {formula:K23Na8(CdIn4)12,spaceGroup:P6/mmm,id:mp-633668} |
| RD_549948885779_000 | computation | Reference Data From Materials Project: {formula:CdBr2,spaceGroup:P6_3mc,id:mp-27934} |
| RD_550151877143_000 | computation | Reference Data From Materials Project: {formula:Ho2CdOs,spaceGroup:Fm-3m,id:mp-863652} |
| RD_550703250659_000 | computation | Reference Data From Materials Project: {formula:TlCd(NO2)3,spaceGroup:Pm3,id:mp-22043} |
| RD_551675090573_000 | computation | Reference Data From Materials Project: {formula:Cd3P2,spaceGroup:Pn-3m,id:mp-21185} |
| RD_551952749576_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571136} |
| RD_552293970792_000 | computation | Reference Data From Materials Project: {formula:YbCdAu2,spaceGroup:Fm-3m,id:mp-865740} |
| RD_553334935024_000 | computation | Reference Data From Materials Project: {formula:GdCd2,spaceGroup:P6/mmm,id:mp-20965} |
| RD_553396373063_000 | computation | Reference Data From Materials Project: {formula:Y4CdRu,spaceGroup:F-43m,id:mp-568156} |
| RD_554439679055_000 | computation | Reference Data From Materials Project: {formula:CdSbS2Cl,spaceGroup:Pmnb,id:mp-557049} |
| RD_554917773309_000 | computation | Reference Data From Materials Project: {formula:K2Cd3H10S4O21,spaceGroup:P2_1/c,id:mp-699496} |
| RD_556035980304_000 | computation | Reference Data From Materials Project: {formula:K2BaCdSb2,spaceGroup:Pmc2_1,id:mp-867340} |
| RD_556327505509_000 | computation | Reference Data From Materials Project: {formula:Zr3Cd3AgF20,spaceGroup:P6_3/m,id:mp-555315} |
| RD_557244003046_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680113} |
| RD_557300331900_000 | computation | Reference Data From Materials Project: {formula:Lu2CdIn,spaceGroup:Fm-3m,id:mp-866211} |
| RD_557916293860_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_557932237206_000 | computation | Reference Data From Materials Project: {formula:La4CdRu,spaceGroup:F-43m,id:mp-570820} |
| RD_558060777016_000 | computation | Reference Data From Materials Project: {formula:BaCd,spaceGroup:Pm-3m,id:mp-527} |
| RD_558218606257_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571225} |
| RD_558255594818_000 | computation | Reference Data From Materials Project: {formula:CdSe2O5,spaceGroup:C2/c,id:mp-9178} |
| RD_558464370364_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571538} |
| RD_559049456508_000 | computation | Reference Data From Materials Project: {formula:Cd13(In13Se27)2,spaceGroup:P2_12_12,id:mp-680136} |
| RD_559176398723_000 | computation | Reference Data From Materials Project: {formula:PrCd,spaceGroup:Pm-3m,id:mp-646} |
| RD_559676283089_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571579} |
| RD_560081431888_000 | computation | Reference Data From Materials Project: {formula:CdHg4C6S6(Br2N3)2,spaceGroup:F2mm,id:mp-557580} |
| RD_560403919918_000 | computation | Reference Data From Materials Project: {formula:CeCdNi4,spaceGroup:F-43m,id:mp-12006} |
| RD_560490397704_000 | computation | Reference Data From Materials Project: {formula:CeCdAu,spaceGroup:P-62m,id:mp-11082} |
| RD_560557656786_000 | computation | CaCd in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_560714198672_000 | computation | Reference Data From Materials Project: {formula:Mg3Cd,spaceGroup:P6_3/mmc,id:mp-30490} |
| RD_561000550108_000 | computation | Reference Data From Materials Project: {formula:Na2Cd3Si3O10,spaceGroup:C2/c,id:mp-6078} |
| RD_562233640957_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-624406} |
| RD_562525913101_000 | computation | Reference Data From Materials Project: {formula:Cd5Au3,spaceGroup:I4/mcm,id:mp-30371} |
| RD_562898823185_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_563391925337_000 | computation | CdSe 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_563952056430_000 | computation | Reference Data From Materials Project: {formula:Li3Cd,spaceGroup:Fm-3m,id:mp-867343} |
| RD_564362037508_000 | computation | Reference Data From Materials Project: {formula:Cd(FeO2)2,spaceGroup:Fd-3m,id:mp-24940} |
| RD_564929674425_000 | computation | Reference Data From Materials Project: {formula:Sr(CdSb)2,spaceGroup:P-3m1,id:mp-7432} |
| RD_565256412957_000 | computation | Reference Data From Materials Project: {formula:CdCoH18N6Cl5,spaceGroup:Fd-3c,id:mp-24430} |
| RD_565306318476_000 | computation | Reference Data From Materials Project: {formula:RbAl3Cd(SiO4)3,spaceGroup:P1,id:mp-677716} |
| RD_565656966818_000 | computation | Reference Data From Materials Project: {formula:K2CdH4(SeO5)2,spaceGroup:P-1,id:mp-697945} |
| RD_566109811782_000 | computation | Reference Data From Materials Project: {formula:Cd3(ClO)2,spaceGroup:P2_1/c,id:mp-29297} |
| RD_566653912229_000 | computation | Reference Data From Materials Project: {formula:PmMgCd2,spaceGroup:Fm-3m,id:mp-862939} |
| RD_566813421476_000 | computation | Reference Data From Materials Project: {formula:Pm2CdSi,spaceGroup:Fm-3m,id:mp-863654} |
| RD_567326558779_000 | computation | Reference Data From Materials Project: {formula:Ca2TlCd,spaceGroup:Fm-3m,id:mp-867849} |
| RD_568097837532_000 | computation | Reference Data From Materials Project: {formula:NaCdF3,spaceGroup:R3c,id:mp-4360} |
| RD_569205205407_000 | computation | Reference Data From Materials Project: {formula:CdSiAs2,spaceGroup:I-42d,id:mp-3078} |
| RD_570750527963_000 | computation | Reference Data From Materials Project: {formula:Ba21(Cd2Sb9)2,spaceGroup:Ccme,id:mp-684034} |
| RD_571189779970_000 | computation | Reference Data From Materials Project: {formula:PrCdAg2,spaceGroup:Fm-3m,id:mp-862760} |
| RD_571206479128_000 | computation | Reference Data From Materials Project: {formula:Nd13Cd58,spaceGroup:P6_3/mmc,id:mp-581958} |
| RD_571750186864_000 | computation | Reference Data From Materials Project: {formula:PaCdAu2,spaceGroup:Fm-3m,id:mp-861973} |
| RD_572738160751_000 | computation | Reference Data From Materials Project: {formula:DyCdHg2,spaceGroup:Fm-3m,id:mp-864884} |
| RD_573217530706_000 | computation | Reference Data From Materials Project: {formula:Pr2CdS4,spaceGroup:I-42d,id:mp-36912} |
| RD_573348125833_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_574421744321_000 | computation | Reference Data From Materials Project: {formula:Cd5Mo2(P2O7)4,spaceGroup:C2/c,id:mp-566657} |
| RD_574526012027_000 | computation | Reference Data From Materials Project: {formula:CdH2SeO5,spaceGroup:P2_1/c,id:mp-721583} |
| RD_574787685040_000 | computation | Reference Data From Materials Project: {formula:Mn2Cd3O5,spaceGroup:C2/m,id:mp-765450} |
| RD_575527174337_000 | computation | Reference Data From Materials Project: {formula:PmCd3,spaceGroup:Fm-3m,id:mp-862899} |
| RD_575691209075_000 | computation | Reference Data From Materials Project: {formula:LiCdP,spaceGroup:F-43m,id:mp-10687} |
| RD_577640391878_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_578033623204_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567483} |
| RD_578089888505_000 | computation | Reference Data From Materials Project: {formula:NdTiCdSbO7,spaceGroup:P4_122,id:mp-39419} |
| RD_578846927320_000 | computation | Reference Data From Materials Project: {formula:CdNiP,spaceGroup:F-43m,id:mp-631410} |
| RD_579111150662_000 | computation | Reference Data From Materials Project: {formula:Cd(PtO2)3,spaceGroup:Cmmm,id:mp-8212} |
| RD_579349786894_000 | computation | Reference Data From Materials Project: {formula:Cd2Fe(CN)6,spaceGroup:P-31m,id:mp-570514} |
| RD_579842382166_000 | computation | Reference Data From Materials Project: {formula:Sc2CdS4,spaceGroup:Fd-3m,id:mp-10953} |
| RD_580896979619_000 | computation | Reference Data From Materials Project: {formula:MnCd6O8,spaceGroup:Fm-3m,id:mp-761295} |
| RD_581026087959_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_581217120322_000 | computation | Reference Data From Materials Project: {formula:RbCdH2I3O,spaceGroup:Cc,id:mp-634062} |
| RD_581670341298_000 | computation | Reference Data From Materials Project: {formula:Eu(CdP)2,spaceGroup:P-3m1,id:mp-22609} |
| RD_581844627498_000 | computation | Reference Data From Materials Project: {formula:TbCd,spaceGroup:Pm-3m,id:mp-721} |
| RD_583187255447_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571569} |
| RD_583464654385_000 | computation | Reference Data From Materials Project: {formula:Cd(CN)2,spaceGroup:P-43m,id:mp-4077} |
| RD_585147674946_000 | computation | Reference Data From Materials Project: {formula:Dy2CdIn,spaceGroup:Fm-3m,id:mp-864973} |
| RD_585332511571_000 | computation | Reference Data From Materials Project: {formula:Pr(CdP)3,spaceGroup:P6_3/mmc,id:mp-10334} |
| RD_586677397925_000 | computation | Reference Data From Materials Project: {formula:Cd(HO)2,spaceGroup:P-3m1,id:mp-625548} |
| RD_586709298829_000 | computation | Reference Data From Materials Project: {formula:CdSi3PH27C9Br2,spaceGroup:P2_1/c,id:mp-604998} |
| RD_587012483068_000 | computation | Reference Data From Materials Project: {formula:Ca(CdP)2,spaceGroup:P-3m1,id:mp-9570} |
| RD_587386408509_000 | computation | Reference Data From Materials Project: {formula:CdSi(CuS2)2,spaceGroup:P2_1nm,id:mp-6449} |
| RD_587966877601_000 | computation | Reference Data From Materials Project: {formula:LiCd2Rh,spaceGroup:Fm-3m,id:mp-867115} |
| RD_588204697081_000 | computation | Reference Data From Materials Project: {formula:La23Cd4Pt7,spaceGroup:P6_3mc,id:mp-567446} |
| RD_588538169600_000 | computation | Reference Data From Materials Project: {formula:ErMgCd2,spaceGroup:Fm-3m,id:mp-863672} |
| RD_589093552821_000 | computation | Reference Data From Materials Project: {formula:CdGaRh2,spaceGroup:Fm-3m,id:mp-861909} |
| RD_589791730283_000 | computation | Reference Data From Materials Project: {formula:Rb4CdCl6,spaceGroup:C2/c,id:mp-644445} |
| RD_589833804779_000 | computation | Reference Data From Materials Project: {formula:Cd(FeO2)2,spaceGroup:Pmnb,id:mp-772600} |
| RD_590917851321_000 | computation | Reference Data From Materials Project: {formula:Al2CdTe4,spaceGroup:I-4,id:mp-7909} |
| RD_591219299411_000 | computation | Reference Data From Materials Project: {formula:BaCdSnS4,spaceGroup:F2dd,id:mp-12306} |
| RD_591519041344_000 | computation | CdTe 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_591521735272_000 | computation | Reference Data From Materials Project: {formula:CeCd2,spaceGroup:P-3m1,id:mp-622107} |
| RD_591582922952_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571514} |
| RD_592295989486_000 | computation | Reference Data From Materials Project: {formula:Er2CdIn,spaceGroup:Fm-3m,id:mp-862981} |
| RD_592685615559_000 | computation | Reference Data From Materials Project: {formula:Er2CdSe4,spaceGroup:P3m1,id:mp-532294} |
| RD_593497594064_000 | computation | Reference Data From Materials Project: {formula:Tm2CdIn,spaceGroup:Fm-3m,id:mp-865302} |
| RD_593795748443_000 | computation | Reference Data From Materials Project: {formula:CdSe,spaceGroup:F-43m,id:mp-2691} |
| RD_594194130268_000 | computation | CaCd in AFLOW crystal prototype AB2_oI12_74_e_h (KHg2/CeCu2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_595041276587_000 | computation | Reference Data From Materials Project: {formula:YTlCd,spaceGroup:F-43m,id:mp-962074} |
| RD_596330240955_000 | computation | Reference Data From Materials Project: {formula:CaCd,spaceGroup:Pm-3m,id:mp-1073} |
| RD_596951647829_000 | computation | Reference Data From Materials Project: {formula:Tl4V5CdClO15,spaceGroup:P4,id:mp-565410} |
| RD_597499814198_000 | computation | Reference Data From Materials Project: {formula:Ho2CdIn,spaceGroup:Fm-3m,id:mp-863651} |
| RD_597583464525_000 | computation | Reference Data From Materials Project: {formula:ZrCdCu2,spaceGroup:Fm-3m,id:mp-11293} |
| RD_598728135970_000 | computation | Reference Data From Materials Project: {formula:CeCd11,spaceGroup:Pm-3m,id:mp-640089} |
| RD_598832657772_000 | computation | Reference Data From Materials Project: {formula:Al6Cd4TeO12,spaceGroup:I-43m,id:mp-9535} |
| RD_599156118748_000 | computation | Reference Data From Materials Project: {formula:LuCdHg2,spaceGroup:Fm-3m,id:mp-865988} |
| RD_599790759676_000 | computation | Reference Data From Materials Project: {formula:TmCd,spaceGroup:Pm-3m,id:mp-2502} |
| RD_600631802147_000 | computation | Reference Data From Materials Project: {formula:Cd2RhPt,spaceGroup:Fm-3m,id:mp-865929} |
| RD_601379130724_000 | computation | Reference Data From Materials Project: {formula:PrCdAu2,spaceGroup:Fm-3m,id:mp-867176} |
| RD_602534747301_000 | computation | AuCd in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_603472719516_000 | computation | Reference Data From Materials Project: {formula:BaCdBi2,spaceGroup:I4/mmm,id:mp-30426} |
| RD_603840627050_000 | computation | Reference Data From Materials Project: {formula:Mn9CdO10,spaceGroup:C2/m,id:mp-767998} |
| RD_603946872500_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3SO12,spaceGroup:P-43n,id:mp-17493} |
| RD_606459568591_000 | computation | Reference Data From Materials Project: {formula:TmCd2,spaceGroup:P6/mmm,id:mp-11311} |
| RD_606588983136_000 | computation | Reference Data From Materials Project: {formula:YCdPd2,spaceGroup:Fm-3m,id:mp-865520} |
| RD_606938510372_000 | computation | CdHg in AFLOW crystal prototype AB2_tI6_139_a_e. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_607014712356_000 | computation | Reference Data From Materials Project: {formula:Cd(InSe2)2,spaceGroup:P-42m,id:mp-568032} |
| RD_607849327409_000 | computation | Reference Data From Materials Project: {formula:PmCdPd2,spaceGroup:Fm-3m,id:mp-862898} |
| RD_607861310060_000 | computation | Reference Data From Materials Project: {formula:ErCdRh2,spaceGroup:Fm-3m,id:mp-863739} |
| RD_608626603768_000 | computation | Reference Data From Materials Project: {formula:CdMoO4,spaceGroup:I4_1/a,id:mp-19039} |
| RD_609159709009_000 | computation | Reference Data From Materials Project: {formula:CsCd13,spaceGroup:Fm-3c,id:mp-1713} |
| RD_609386596624_000 | computation | Reference Data From Materials Project: {formula:Ba11(CdSb2)6,spaceGroup:C2/m,id:mp-570121} |
| RD_612736054392_000 | computation | Reference Data From Materials Project: {formula:ZrCdPd2,spaceGroup:Fm-3m,id:mp-864607} |
| RD_612938365556_000 | computation | Reference Data From Materials Project: {formula:Cd(GaO2)2,spaceGroup:P3m1,id:mp-531238} |
| RD_613634744623_000 | computation | Reference Data From Materials Project: {formula:Pr13Cd58,spaceGroup:P6_3/mmc,id:mp-581655} |
| RD_613856224247_000 | computation | Reference Data From Materials Project: {formula:YTlCd,spaceGroup:F-43m,id:mp-962074} |
| RD_614073982911_000 | computation | Reference Data From Materials Project: {formula:CsCdAuS2,spaceGroup:Cmme,id:mp-560558} |
| RD_614517061908_000 | computation | Reference Data From Materials Project: {formula:CdGeAs2,spaceGroup:I-42d,id:mp-4953} |
| RD_614850532481_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_615326237271_000 | computation | Reference Data From Materials Project: {formula:SmCd3,spaceGroup:Fm-3m,id:mp-867158} |
| RD_615582465883_000 | computation | CdS in AFLOW crystal prototype AB_oP4_59_a_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_616280232033_000 | computation | Reference Data From Materials Project: {formula:Pm2TlCd,spaceGroup:Fm-3m,id:mp-864629} |
| RD_616822271809_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-669326} |
| RD_617329420005_000 | computation | Reference Data From Materials Project: {formula:AcCdHg2,spaceGroup:Fm-3m,id:mp-864644} |
| RD_619284951795_000 | computation | Reference Data From Materials Project: {formula:Ho2CdSe4,spaceGroup:Fd-3m,id:mp-4284} |
| RD_621095414776_000 | computation | Reference Data From Materials Project: {formula:ThCdRh2,spaceGroup:Fm-3m,id:mp-861646} |
| RD_622345523534_000 | computation | Reference Data From Materials Project: {formula:CdSbAu,spaceGroup:F-43m,id:mp-16246} |
| RD_623314472641_000 | computation | CdSe 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_623570901566_000 | computation | Reference Data From Materials Project: {formula:YbCd6,spaceGroup:I23,id:mp-680604} |
| RD_623675889706_000 | computation | Reference Data From Materials Project: {formula:Yb2CdSb2,spaceGroup:Ccm2_1,id:mp-569106} |
| RD_624025350385_000 | computation | Reference Data From Materials Project: {formula:Sr2TlCd,spaceGroup:Fm-3m,id:mp-862740} |
| RD_624613707435_000 | computation | Reference Data From Materials Project: {formula:PmZn2Cd,spaceGroup:Fm-3m,id:mp-862975} |
| RD_624651541004_000 | computation | Reference Data From Materials Project: {formula:CdO,spaceGroup:Fm-3m,id:mp-1132} |
| RD_626665562254_000 | computation | Reference Data From Materials Project: {formula:Cd(HO)2,spaceGroup:P3m1,id:mp-625557} |
| RD_628094966066_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567442} |
| RD_628424459669_000 | computation | Reference Data From Materials Project: {formula:Cs2K2Cd3O5,spaceGroup:P-1,id:mp-650532} |
| RD_628428820181_000 | computation | Reference Data From Materials Project: {formula:CdPt3,spaceGroup:Pm-3m,id:mp-866022} |
| RD_629427478106_000 | computation | Reference Data From Materials Project: {formula:CdRuIr,spaceGroup:F-43m,id:mp-631388} |
| RD_629936209824_000 | computation | Reference Data From Materials Project: {formula:NdMgCd2,spaceGroup:Fm-3m,id:mp-866065} |
| RD_630042347674_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570695} |
| RD_630218866782_000 | computation | Reference Data From Materials Project: {formula:Sr2CdPb,spaceGroup:Fm-3m,id:mp-862721} |
| RD_632723744068_000 | computation | Reference Data From Materials Project: {formula:Gd2CdPd2,spaceGroup:P4/mbm,id:mp-603326} |
| RD_632869363584_000 | computation | Reference Data From Materials Project: {formula:PmCdRh2,spaceGroup:Fm-3m,id:mp-862896} |
| RD_633538684413_000 | computation | Reference Data From Materials Project: {formula:Sc2Cd3(GeO4)3,spaceGroup:Ia-3d,id:mp-13771} |
| RD_633643752521_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_634373181956_000 | computation | Reference Data From Materials Project: {formula:RbCdAuS2,spaceGroup:Pbcb,id:mp-558536} |
| RD_635480575890_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571654} |
| RD_638560249500_000 | computation | Reference Data From Materials Project: {formula:PmMgCd2,spaceGroup:Fm-3m,id:mp-862939} |
| RD_641351848605_000 | computation | Reference Data From Materials Project: {formula:Cd(CN)2,spaceGroup:P-43m,id:mp-4077} |
| RD_641923457045_000 | computation | Reference Data From Materials Project: {formula:Zr4Cd(PO4)6,spaceGroup:R-3,id:mp-541299} |
| RD_642540579561_000 | computation | Reference Data From Materials Project: {formula:Cd2Ge7O16,spaceGroup:P-4b2,id:mp-29213} |
| RD_642625109804_000 | computation | Reference Data From Materials Project: {formula:LiCdP,spaceGroup:F-43m,id:mp-10687} |
| RD_644186368936_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_644237444205_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_644646175449_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:Pm-3m,id:mp-1264} |
| RD_646734972709_000 | computation | Reference Data From Materials Project: {formula:HoCdPt2,spaceGroup:Fm-3m,id:mp-864673} |
| RD_648300475324_000 | computation | Reference Data From Materials Project: {formula:Cd(GaSe2)2,spaceGroup:I-4m2,id:mp-33397} |
| RD_648654294696_000 | computation | Reference Data From Materials Project: {formula:Ba2V4Cd3O15,spaceGroup:P2_12_12_1,id:mp-567038} |
| RD_649105939412_000 | computation | Reference Data From Materials Project: {formula:CdGeP2,spaceGroup:Fm-3m,id:mp-16268} |
| RD_649932474089_000 | computation | Reference Data From Materials Project: {formula:Yb2CdSe4,spaceGroup:Fd-3m,id:mp-8268} |
| RD_650582472881_000 | computation | Reference Data From Materials Project: {formula:CdBiO3,spaceGroup:R3,id:mp-755478} |
| RD_651121143142_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570613} |
| RD_652427401717_000 | computation | Reference Data From Materials Project: {formula:YbCd6,spaceGroup:I23,id:mp-680604} |
| RD_652443973261_000 | computation | Reference Data From Materials Project: {formula:K2Cd(AuS)4,spaceGroup:Icma,id:mp-557832} |
| RD_652686683183_000 | computation | Reference Data From Materials Project: {formula:Ba2Cd3Bi4,spaceGroup:Ccme,id:mp-568744} |
| RD_652716149923_000 | computation | Reference Data From Materials Project: {formula:LiCd4Ge5HO15,spaceGroup:P-1,id:mp-24405} |
| RD_653152239686_000 | computation | Reference Data From Materials Project: {formula:V3Cd,spaceGroup:Pm-3n,id:mp-568564} |
| RD_653228180717_000 | computation | Reference Data From Materials Project: {formula:DyCdRh2,spaceGroup:Fm-3m,id:mp-867900} |
| RD_653990815445_000 | computation | Reference Data From Materials Project: {formula:CdPOs2,spaceGroup:F-43m,id:mp-631403} |
| RD_655097582921_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570671} |
| RD_656264497786_000 | computation | Reference Data From Materials Project: {formula:Nd13Cd58,spaceGroup:P6_3/mmc,id:mp-581958} |
| RD_657485288204_000 | computation | Reference Data From Materials Project: {formula:Cd7(P2Cl3)2,spaceGroup:Pa3,id:mp-23476} |
| RD_657508161778_000 | computation | Reference Data From Materials Project: {formula:Rb2Cd3Se4,spaceGroup:Pcmn,id:mp-16818} |
| RD_657960916337_000 | computation | Reference Data From Materials Project: {formula:LaCd,spaceGroup:Pm-3m,id:mp-776} |
| RD_658613154764_000 | computation | Reference Data From Materials Project: {formula:La13Cd58,spaceGroup:P6_3/mmc,id:mp-581920} |
| RD_658805894378_000 | computation | Reference Data From Materials Project: {formula:Cd(In2I3)2,spaceGroup:P4/mnc,id:mp-616218} |
| RD_658861154236_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:Pm-3m,id:mp-1264} |
| RD_659012647975_000 | computation | Reference Data From Materials Project: {formula:Na4Cd2Si3O10,spaceGroup:C2/c,id:mp-556413} |
| RD_659155466157_000 | computation | CdTe 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_659539261043_000 | computation | Reference Data From Materials Project: {formula:HoCd,spaceGroup:Pm-3m,id:mp-170} |
| RD_659785556894_000 | computation | Reference Data From Materials Project: {formula:Gd2CdO4,spaceGroup:Fd-3m,id:mp-754093} |
| RD_660329363383_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-624418} |
| RD_660442111549_000 | computation | Reference Data From Materials Project: {formula:CdSb2Se3Br2,spaceGroup:C2/m,id:mp-567556} |
| RD_661099931366_000 | computation | Reference Data From Materials Project: {formula:CrCdF6,spaceGroup:R-3,id:mp-559161} |
| RD_661232790660_000 | computation | Reference Data From Materials Project: {formula:Na2CdH4(SO5)2,spaceGroup:P2_1/c,id:mp-698056} |
| RD_662137273795_000 | computation | Reference Data From Materials Project: {formula:CdInPd2,spaceGroup:Fm-3m,id:mp-862374} |
| RD_662348178892_000 | computation | Reference Data From Materials Project: {formula:Tl2(CdSb)3,spaceGroup:C2/m,id:mp-29741} |
| RD_662349242291_000 | computation | Reference Data From Materials Project: {formula:ErMgCd2,spaceGroup:Fm-3m,id:mp-863672} |
| RD_662461280988_000 | computation | Reference Data From Materials Project: {formula:YCd2,spaceGroup:P6/mmm,id:mp-1331} |
| RD_663224238712_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_664116902657_000 | computation | Reference Data From Materials Project: {formula:ScCd,spaceGroup:Pm-3m,id:mp-1211} |
| RD_664520399400_000 | computation | Reference Data From Materials Project: {formula:Cd,spaceGroup:P6_3/mmc,id:mp-94} |
| RD_665333210946_000 | computation | Reference Data From Materials Project: {formula:SmCd2,spaceGroup:P6/mmm,id:mp-30495} |
| RD_666721109025_000 | computation | Reference Data From Materials Project: {formula:Li2CdAu,spaceGroup:Fm-3m,id:mp-865577} |
| RD_667107077438_000 | computation | Reference Data From Materials Project: {formula:PmCdAu2,spaceGroup:Fm-3m,id:mp-862891} |
| RD_667546886105_000 | computation | Reference Data From Materials Project: {formula:CsCd(NO2)3,spaceGroup:R3,id:mp-6628} |
| RD_668456212602_000 | computation | Reference Data From Materials Project: {formula:Cd4P6SN12,spaceGroup:I-43m,id:mp-8921} |
| RD_669136238509_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571660} |
| RD_669462270624_000 | computation | Reference Data From Materials Project: {formula:LuCd2,spaceGroup:P6/mmm,id:mp-865732} |
| RD_669500772161_000 | computation | Reference Data From Materials Project: {formula:Na3CdPCO7,spaceGroup:P2_1/m,id:mp-767430} |
| RD_669674228494_000 | computation | Reference Data From Materials Project: {formula:V2Cd4(TeO5)3,spaceGroup:P2_12_12_1,id:mp-578817} |
| RD_669753429550_000 | computation | Reference Data From Materials Project: {formula:NbCd3,spaceGroup:Pm-3m,id:mp-11309} |
| RD_670581047922_000 | computation | Reference Data From Materials Project: {formula:BaCd11,spaceGroup:I4_1/amd,id:mp-31216} |
| RD_671164226597_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_671235442139_000 | computation | Reference Data From Materials Project: {formula:Ce2CdPt2,spaceGroup:P4/mbm,id:mp-11964} |
| RD_671785586535_000 | computation | Reference Data From Materials Project: {formula:Sr11(CdSb2)6,spaceGroup:C2/m,id:mp-3195} |
| RD_671791147073_000 | computation | Reference Data From Materials Project: {formula:LiCd,spaceGroup:Fd-3m,id:mp-1437} |
| RD_672599898017_000 | computation | Reference Data From Materials Project: {formula:CdAs,spaceGroup:Pbca,id:mp-7373} |
| RD_673457494839_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_673492831678_000 | computation | Reference Data From Materials Project: {formula:CdB2XeF10,spaceGroup:P2_1/c,id:mp-559282} |
| RD_673767217416_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:R3m,id:mp-627401} |
| RD_674299553292_000 | computation | Reference Data From Materials Project: {formula:CdGaH14O7F5,spaceGroup:P-1,id:mp-561283} |
| RD_674412456913_000 | computation | Reference Data From Materials Project: {formula:HfCdRh2,spaceGroup:Fm-3m,id:mp-865174} |
| RD_674497888838_000 | computation | Reference Data From Materials Project: {formula:CsDyCdSe3,spaceGroup:Cmcm,id:mp-11122} |
| RD_675615906845_000 | computation | Reference Data From Materials Project: {formula:RbCdAg3(CN)6,spaceGroup:P312,id:mp-568978} |
| RD_675820175224_000 | computation | Reference Data From Materials Project: {formula:CdH8C2S2(BrN2)2,spaceGroup:Pnam,id:mp-697260} |
| RD_675941806491_000 | computation | CdHg in AFLOW crystal prototype A2B_tI6_139_e_a. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_677595761946_000 | computation | Reference Data From Materials Project: {formula:Cs3CdI5,spaceGroup:Pnma,id:mp-669317} |
| RD_677611092223_000 | computation | Reference Data From Materials Project: {formula:Yb(CdSb)2,spaceGroup:P-3m1,id:mp-9257} |
| RD_677755500012_000 | computation | Reference Data From Materials Project: {formula:Ti2CdC,spaceGroup:P6_3/mmc,id:mp-9961} |
| RD_681481738997_000 | computation | Reference Data From Materials Project: {formula:RbV3Cd3O11,spaceGroup:P2_1/c,id:mp-566868} |
| RD_681576827429_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_682306980986_000 | computation | Reference Data From Materials Project: {formula:LiCdCoF6,spaceGroup:P-31c,id:mp-558057} |
| RD_682348816169_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_683183053697_000 | computation | Reference Data From Materials Project: {formula:ThCdHg2,spaceGroup:Fm-3m,id:mp-867346} |
| RD_685623233360_000 | computation | Reference Data From Materials Project: {formula:YCdAu2,spaceGroup:Fm-3m,id:mp-865522} |
| RD_686844649227_000 | computation | Reference Data From Materials Project: {formula:CdCN2,spaceGroup:R-3m,id:mp-10969} |
| RD_687356031611_000 | computation | Reference Data From Materials Project: {formula:Cd2SnO4,spaceGroup:Imma,id:mp-675857} |
| RD_687953150495_000 | computation | Reference Data From Materials Project: {formula:Cd(AuF4)2,spaceGroup:P4/mcc,id:mp-29169} |
| RD_688009939280_000 | computation | CdSe 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_689080027907_000 | computation | Reference Data From Materials Project: {formula:CdCO3,spaceGroup:R-3c,id:mp-4385} |
| RD_690502246426_000 | computation | Reference Data From Materials Project: {formula:Li2CdGe,spaceGroup:Fm-3m,id:mp-10686} |
| RD_691097688698_000 | computation | Reference Data From Materials Project: {formula:LaCd2Pd,spaceGroup:Cmcm,id:mp-12469} |
| RD_692737591612_000 | computation | Reference Data From Materials Project: {formula:RbCdF3,spaceGroup:Pm-3m,id:mp-6951} |
| RD_695866306986_000 | computation | Reference Data From Materials Project: {formula:Sc2CdTc,spaceGroup:Fm-3m,id:mp-862710} |
| RD_696052496524_000 | computation | AuCd in AFLOW crystal prototype AB_oP4_51_e_f (beta'-AuCd). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_696121361290_000 | computation | Reference Data From Materials Project: {formula:CeCdHg2,spaceGroup:Fm-3m,id:mp-866274} |
| RD_696529451018_000 | computation | Reference Data From Materials Project: {formula:CdPt,spaceGroup:P4/mmm,id:mp-1194} |
| RD_696691206573_000 | computation | Reference Data From Materials Project: {formula:CdS2O7,spaceGroup:P2_1/c,id:mp-17586} |
| RD_697436059672_000 | computation | Reference Data From Materials Project: {formula:La13Cd58,spaceGroup:P6_3/mmc,id:mp-581920} |
| RD_697732469789_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_697874898493_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571579} |
| RD_698741077155_000 | computation | Reference Data From Materials Project: {formula:Cd(GaTe2)2,spaceGroup:I-4,id:mp-13949} |
| RD_699231158363_000 | computation | Reference Data From Materials Project: {formula:Pm2CdIn,spaceGroup:Fm-3m,id:mp-862996} |
| RD_699959871566_000 | computation | Reference Data From Materials Project: {formula:TlCdBr3,spaceGroup:Pmnb,id:mp-28219} |
| RD_700040085535_000 | computation | Reference Data From Materials Project: {formula:Na14Cd2O9,spaceGroup:P-3,id:mp-27559} |
| RD_700167185961_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_700329214201_000 | computation | Reference Data From Materials Project: {formula:Cd3Au,spaceGroup:P6_3cm,id:mp-30370} |
| RD_700868854032_000 | computation | Reference Data From Materials Project: {formula:CdC2(SN)2,spaceGroup:P2_1/c,id:mp-540903} |
| RD_701892629774_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-669357} |
| RD_702124932552_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-669358} |
| RD_702645880707_000 | computation | Reference Data From Materials Project: {formula:Ba(CdAs)2,spaceGroup:P-3m1,id:mp-8281} |
| RD_702663807272_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571616} |
| RD_703186746874_000 | computation | Reference Data From Materials Project: {formula:CdPt3,spaceGroup:Pm-3m,id:mp-866022} |
| RD_704538502432_000 | computation | Reference Data From Materials Project: {formula:Al2Cd3(SiO4)3,spaceGroup:Ia-3d,id:mp-14047} |
| RD_704999203335_000 | computation | Reference Data From Materials Project: {formula:NdCd,spaceGroup:Pm-3m,id:mp-1059} |
| RD_705204376132_000 | computation | Reference Data From Materials Project: {formula:CdCuSb,spaceGroup:F-43m,id:mp-568800} |
| RD_705476829993_000 | computation | Reference Data From Materials Project: {formula:CeCdAg2,spaceGroup:Fm-3m,id:mp-865552} |
| RD_705508204767_000 | computation | Reference Data From Materials Project: {formula:K10Zr3Cd(MoO4)12,spaceGroup:R3,id:mp-699558} |
| RD_706203929415_000 | computation | Reference Data From Materials Project: {formula:K4V5CdClO15,spaceGroup:P4,id:mp-566827} |
| RD_706585107409_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3SO12,spaceGroup:P-43n,id:mp-17493} |
| RD_708028466155_000 | computation | Reference Data From Materials Project: {formula:CdAs2HF13,spaceGroup:P2_1/c,id:mp-24302} |
| RD_708201755787_000 | computation | Reference Data From Materials Project: {formula:Ta2Cd2O7,spaceGroup:Fd-3m,id:mp-5548} |
| RD_709623491272_000 | computation | Reference Data From Materials Project: {formula:TmCdAu2,spaceGroup:Fm-3m,id:mp-865887} |
| RD_709743999148_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571037} |
| RD_709745600644_000 | computation | Reference Data From Materials Project: {formula:Sr3CdPtO6,spaceGroup:R-3c,id:mp-10392} |
| RD_710108910146_000 | computation | Reference Data From Materials Project: {formula:PuCdRh2,spaceGroup:Fm-3m,id:mp-862738} |
| RD_710172792060_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_710351284602_000 | computation | Reference Data From Materials Project: {formula:Rb2Cr2Cd(H2O5)2,spaceGroup:P-1,id:mp-566668} |
| RD_710585266093_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P6_3mc,id:mp-569994} |
| RD_710844759466_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571567} |
| RD_711471478480_000 | computation | Reference Data From Materials Project: {formula:TmCdPt2,spaceGroup:Fm-3m,id:mp-865202} |
| RD_712014969044_000 | computation | Reference Data From Materials Project: {formula:CdAg4Ge2S7,spaceGroup:Cc,id:mp-542200} |
| RD_712377325559_000 | computation | Reference Data From Materials Project: {formula:Sm2TlCd,spaceGroup:Fm-3m,id:mp-867191} |
| RD_712929469439_000 | computation | Reference Data From Materials Project: {formula:CaPrCd2,spaceGroup:Fm-3m,id:mp-867257} |
| RD_713083482501_000 | computation | Reference Data From Materials Project: {formula:Pm2CdIn,spaceGroup:Fm-3m,id:mp-862996} |
| RD_713547063120_000 | computation | Reference Data From Materials Project: {formula:LiCdBO3,spaceGroup:P-6,id:mp-6126} |
| RD_714598613048_000 | computation | Reference Data From Materials Project: {formula:Nb2CdO6,spaceGroup:Pbcn,id:mp-781861} |
| RD_714805532973_000 | computation | Reference Data From Materials Project: {formula:ScCdAg2,spaceGroup:Fm-3m,id:mp-867127} |
| RD_715161410708_000 | computation | Reference Data From Materials Project: {formula:Nb2Cd2O7,spaceGroup:Im2a,id:mp-560530} |
| RD_716121060584_000 | computation | Reference Data From Materials Project: {formula:Rb2Be3Cd2F12,spaceGroup:P2_13,id:mp-13614} |
| RD_716540983294_000 | computation | CdS 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_716554443295_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:P31m,id:mp-16886} |
| RD_716940877598_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_716946976621_000 | computation | Reference Data From Materials Project: {formula:Ba2CdS3,spaceGroup:Pmnb,id:mp-18309} |
| RD_716993079175_000 | computation | Reference Data From Materials Project: {formula:YbTl2Cd,spaceGroup:Fm-3m,id:mp-866002} |
| RD_717238793271_000 | computation | Reference Data From Materials Project: {formula:NaCdAs,spaceGroup:Pmnb,id:mp-7378} |
| RD_717790411822_000 | computation | Reference Data From Materials Project: {formula:Ba(CdAs)2,spaceGroup:P-3m1,id:mp-8281} |
| RD_718489895068_000 | computation | Reference Data From Materials Project: {formula:Nd2CdSe4,spaceGroup:I-42d,id:mp-36821} |
| RD_720511100156_000 | computation | Reference Data From Materials Project: {formula:Al2CdSe4,spaceGroup:Fd-3m,id:mp-3807} |
| RD_720585469248_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_720627058155_000 | computation | Reference Data From Materials Project: {formula:Cs5Tl11Cd2,spaceGroup:Cm2m,id:mp-966740} |
| RD_720632514602_000 | computation | Reference Data From Materials Project: {formula:YCd2,spaceGroup:P6/mmm,id:mp-1331} |
| RD_720887526254_000 | computation | CaCd in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_721335829098_000 | computation | Reference Data From Materials Project: {formula:Ba5Cd2Sb5F,spaceGroup:Cmcm,id:mp-865528} |
| RD_721725134488_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680093} |
| RD_721797568060_000 | computation | Reference Data From Materials Project: {formula:CaPrCd2,spaceGroup:Fm-3m,id:mp-867257} |
| RD_722753184591_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_723578585789_000 | computation | Reference Data From Materials Project: {formula:PmCdHg2,spaceGroup:Fm-3m,id:mp-862892} |
| RD_723667346833_000 | computation | Reference Data From Materials Project: {formula:GdCdPd,spaceGroup:P-62m,id:mp-623988} |
| RD_725133909877_000 | computation | Reference Data From Materials Project: {formula:CdSnRh2,spaceGroup:Fm-3m,id:mp-861877} |
| RD_725984962382_000 | computation | Reference Data From Materials Project: {formula:Sr2CdAs2,spaceGroup:Ccm2_1,id:mp-867203} |
| RD_727140765370_000 | computation | Reference Data From Materials Project: {formula:TlCdS2,spaceGroup:P-3m1,id:mp-7708} |
| RD_727316833262_000 | computation | Reference Data From Materials Project: {formula:ErCdPd2,spaceGroup:Fm-3m,id:mp-863738} |
| RD_727402654002_000 | computation | Reference Data From Materials Project: {formula:CrCdO4,spaceGroup:C2/m,id:mp-19630} |
| RD_728618298819_000 | computation | Reference Data From Materials Project: {formula:AcCdHg2,spaceGroup:Fm-3m,id:mp-864644} |
| RD_729302844629_000 | computation | Reference Data From Materials Project: {formula:Al2CdS4,spaceGroup:I-4,id:mp-5928} |
| RD_729310476099_000 | computation | Reference Data From Materials Project: {formula:Y2CdS4,spaceGroup:Fd-3m,id:mp-35785} |
| RD_729664286956_000 | computation | Reference Data From Materials Project: {formula:Cd2SnO4,spaceGroup:Pmcb,id:mp-5966} |
| RD_729757498881_000 | computation | Reference Data From Materials Project: {formula:Cd3AsCl3,spaceGroup:Pcmn,id:mp-27899} |
| RD_730213118364_000 | computation | Reference Data From Materials Project: {formula:Cd4P6SN12,spaceGroup:I-43m,id:mp-8921} |
| RD_730675167236_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570613} |
| RD_731986188086_000 | computation | Reference Data From Materials Project: {formula:Cd5P3ClO12,spaceGroup:P6_3/m,id:mp-23643} |
| RD_733181451648_000 | computation | Reference Data From Materials Project: {formula:Cd2As3Br,spaceGroup:C2/c,id:mp-28900} |
| RD_733359386544_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:P6_3mc,id:mp-12779} |
| RD_734263070551_000 | computation | Reference Data From Materials Project: {formula:Yb2CdS4,spaceGroup:Fd-3m,id:mp-2959} |
| RD_735519788970_000 | computation | Reference Data From Materials Project: {formula:Y13Cd58,spaceGroup:P6_3/mmc,id:mp-582709} |
| RD_735687198359_000 | computation | Reference Data From Materials Project: {formula:Cd(GaO2)2,spaceGroup:Pnma,id:mp-756190} |
| RD_735944909508_000 | computation | Reference Data From Materials Project: {formula:CdIn2O4,spaceGroup:Fd-3m,id:mp-19803} |
| RD_736555200913_000 | computation | Reference Data From Materials Project: {formula:GdCdAu2,spaceGroup:Fm-3m,id:mp-866167} |
| RD_737247223762_000 | computation | CdS 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_737764512021_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570127} |
| RD_738178492087_000 | computation | Reference Data From Materials Project: {formula:LiCdBO3,spaceGroup:P-6,id:mp-6126} |
| RD_738603603415_000 | computation | Reference Data From Materials Project: {formula:Cd2Si(P2O7)2,spaceGroup:C2/c,id:mp-541108} |
| RD_738871893506_000 | computation | Reference Data From Materials Project: {formula:TmCdAg2,spaceGroup:Fm-3m,id:mp-865873} |
| RD_739919764698_000 | computation | Reference Data From Materials Project: {formula:Cd7P10,spaceGroup:F2dd,id:mp-29576} |
| RD_740545238376_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_741615706328_000 | computation | Reference Data From Materials Project: {formula:Cd2Re2O7,spaceGroup:Fd-3m,id:mp-16783} |
| RD_741923076996_000 | computation | Reference Data From Materials Project: {formula:KCdCu7Se2Cl9O8,spaceGroup:P6_3/mmc,id:mp-553914} |
| RD_742273554493_000 | computation | Reference Data From Materials Project: {formula:V2Cd2O7,spaceGroup:C2/m,id:mp-18740} |
| RD_743556137038_000 | computation | Reference Data From Materials Project: {formula:CdH12C4Br3N,spaceGroup:P6_1,id:mp-567467} |
| RD_744561597885_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_745409721135_000 | computation | Reference Data From Materials Project: {formula:EuTl2Cd,spaceGroup:Fm-3m,id:mp-861902} |
| RD_745445426409_000 | computation | Reference Data From Materials Project: {formula:LiCd2Ag,spaceGroup:Fm-3m,id:mp-867204} |
| RD_745890923904_000 | computation | Reference Data From Materials Project: {formula:K4CdAs2,spaceGroup:R-3m,id:mp-29585} |
| RD_746471515021_000 | computation | Reference Data From Materials Project: {formula:GdCdPd2,spaceGroup:Fm-3m,id:mp-866034} |
| RD_746497086675_000 | computation | Reference Data From Materials Project: {formula:CdH2(CO2)2,spaceGroup:C2/c,id:mp-644265} |
| RD_746902668196_000 | computation | Reference Data From Materials Project: {formula:CsCdCl3,spaceGroup:P6_3/mmc,id:mp-619015} |
| RD_747024716740_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570695} |
| RD_747027937181_000 | computation | Reference Data From Materials Project: {formula:CdInPd2,spaceGroup:Fm-3m,id:mp-862374} |
| RD_747503347323_000 | computation | CdTe in AFLOW crystal prototype AB_hP6_152_a_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_747644589987_000 | computation | CdSe 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_748365289588_000 | computation | Reference Data From Materials Project: {formula:Ba2CdPb,spaceGroup:Fm-3m,id:mp-867333} |
| RD_748502681338_000 | computation | Reference Data From Materials Project: {formula:MgSc2Cd,spaceGroup:Fm-3m,id:mp-866077} |
| RD_748623420206_000 | computation | Reference Data From Materials Project: {formula:CeCdAu2,spaceGroup:Fm-3m,id:mp-866185} |
| RD_749778513983_000 | computation | Reference Data From Materials Project: {formula:K6CdTe4,spaceGroup:P6_3mc,id:mp-17698} |
| RD_749960142482_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570472} |
| RD_750235081725_000 | computation | Reference Data From Materials Project: {formula:CdAg2GeS4,spaceGroup:P2_1nm,id:mp-554105} |
| RD_750525467209_000 | computation | Reference Data From Materials Project: {formula:Cd(RhO2)2,spaceGroup:Fd-3m,id:mp-14100} |
| RD_751160057005_000 | computation | Reference Data From Materials Project: {formula:YCdAu2,spaceGroup:Fm-3m,id:mp-865522} |
| RD_751546295606_000 | computation | Reference Data From Materials Project: {formula:CdSO4,spaceGroup:Ccmm,id:mp-8459} |
| RD_752338223601_000 | computation | Reference Data From Materials Project: {formula:Tm2CdS4,spaceGroup:Fd-3m,id:mp-4324} |
| RD_753014389732_000 | computation | Reference Data From Materials Project: {formula:Cd8Ag5,spaceGroup:I-43m,id:mp-567857} |
| RD_753483604659_000 | computation | Reference Data From Materials Project: {formula:ScCd,spaceGroup:Pm-3m,id:mp-1211} |
| RD_753701346838_000 | computation | Reference Data From Materials Project: {formula:CdPS3,spaceGroup:R-3,id:mp-9330} |
| RD_754510854498_000 | computation | Reference Data From Materials Project: {formula:Na3Cd4P6H10(ClO8)3,spaceGroup:P1,id:mp-745173} |
| RD_755310877137_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680093} |
| RD_755975722954_000 | computation | Reference Data From Materials Project: {formula:Cd(CoO2)2,spaceGroup:P1,id:mp-769705} |
| RD_756687473261_000 | computation | Reference Data From Materials Project: {formula:MgCdAu2,spaceGroup:Fm-3m,id:mp-865150} |
| RD_757797575957_000 | computation | Reference Data From Materials Project: {formula:TlCdRh2,spaceGroup:Fm-3m,id:mp-866188} |
| RD_758025906233_000 | computation | Reference Data From Materials Project: {formula:CdSO3,spaceGroup:P2_1/c,id:mp-8516} |
| RD_758283386785_000 | computation | Reference Data From Materials Project: {formula:Ba4Gd2Cd3S10,spaceGroup:Cmc2_1,id:mp-554975} |
| RD_758342898856_000 | computation | Reference Data From Materials Project: {formula:TbCdRh2,spaceGroup:Fm-3m,id:mp-864615} |
| RD_758462845664_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_758737207810_000 | computation | Reference Data From Materials Project: {formula:HoCd2,spaceGroup:P6/mmm,id:mp-11301} |
| RD_758771343316_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:F-43m,id:mp-406} |
| RD_759063717921_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_759275611745_000 | computation | Reference Data From Materials Project: {formula:K2CdSiO4,spaceGroup:Pbc2_1,id:mp-541538} |
| RD_760043367841_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570263} |
| RD_760496517625_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-583753} |
| RD_762795978094_000 | computation | Reference Data From Materials Project: {formula:CdO2,spaceGroup:Pa3,id:mp-2310} |
| RD_763035699185_000 | computation | Reference Data From Materials Project: {formula:DyMgCd2,spaceGroup:Fm-3m,id:mp-867773} |
| RD_763289350470_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567296} |
| RD_763792020537_000 | computation | Reference Data From Materials Project: {formula:LiCd2HSe2O7,spaceGroup:P2_1/c,id:mp-697926} |
| RD_765204994150_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_765788885426_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567534} |
| RD_766015430111_000 | computation | Reference Data From Materials Project: {formula:Cd2H3ClO3,spaceGroup:Pnma,id:mp-24015} |
| RD_766399088034_000 | computation | Reference Data From Materials Project: {formula:K2Cd2Te3,spaceGroup:P2_1/c,id:mp-571637} |
| RD_766788711149_000 | computation | Reference Data From Materials Project: {formula:CaCd,spaceGroup:Pm-3m,id:mp-1073} |
| RD_767232495627_000 | computation | Reference Data From Materials Project: {formula:Cd3(PO4)2,spaceGroup:P2_1/c,id:mp-680761} |
| RD_768862985615_000 | computation | Reference Data From Materials Project: {formula:Pr(CdP)3,spaceGroup:P6_3/mmc,id:mp-10334} |
| RD_769777598724_000 | computation | Reference Data From Materials Project: {formula:Na3Cd2IrO6,spaceGroup:C2/m,id:mp-9741} |
| RD_770502726912_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_771115424932_000 | computation | Reference Data From Materials Project: {formula:TmCdPd2,spaceGroup:Fm-3m,id:mp-865982} |
| RD_771602818103_000 | computation | Reference Data From Materials Project: {formula:TmMgCd2,spaceGroup:Fm-3m,id:mp-865227} |
| RD_771941458429_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680111} |
| RD_772445384080_000 | computation | Reference Data From Materials Project: {formula:CsCd(NO2)3,spaceGroup:Pm3,id:mp-22378} |
| RD_772730317207_000 | computation | Reference Data From Materials Project: {formula:KCd(NO2)3,spaceGroup:Pm3,id:mp-22770} |
| RD_772742525138_000 | computation | Reference Data From Materials Project: {formula:Al6Cd4SO12,spaceGroup:I-43m,id:mp-9203} |
| RD_773504185939_000 | computation | Reference Data From Materials Project: {formula:Er2CdIn,spaceGroup:Fm-3m,id:mp-862981} |
| RD_773549035903_000 | computation | Reference Data From Materials Project: {formula:ScCdPd2,spaceGroup:Fm-3m,id:mp-867911} |
| RD_774106802488_000 | computation | Reference Data From Materials Project: {formula:YbLaCd2,spaceGroup:Fm-3m,id:mp-865859} |
| RD_774343071413_000 | computation | Reference Data From Materials Project: {formula:Cd2P3Cl,spaceGroup:Cc,id:mp-29246} |
| RD_775003191855_000 | computation | Reference Data From Materials Project: {formula:Y2CdS4,spaceGroup:Fd-3m,id:mp-35785} |
| RD_775513095299_000 | computation | Reference Data From Materials Project: {formula:Cd2BiAsO6,spaceGroup:Ccm2_1,id:mp-556653} |
| RD_775524401428_000 | computation | Reference Data From Materials Project: {formula:Cd3PCl3,spaceGroup:P-3m1,id:mp-29415} |
| RD_776236988204_000 | computation | Reference Data From Materials Project: {formula:Ho2CdOs,spaceGroup:Fm-3m,id:mp-863652} |
| RD_777092322205_000 | computation | Reference Data From Materials Project: {formula:CaLaCd2,spaceGroup:Fm-3m,id:mp-866000} |
| RD_777742505345_000 | computation | Reference Data From Materials Project: {formula:Cd(GaS2)2,spaceGroup:I-4,id:mp-4452} |
| RD_777999958336_000 | computation | Reference Data From Materials Project: {formula:La2Cd17,spaceGroup:P6_3/mmc,id:mp-30489} |
| RD_778702312857_000 | computation | Reference Data From Materials Project: {formula:CdAs2(XeF5)4,spaceGroup:P2_12_12_1,id:mp-557926} |
| RD_778856602990_000 | computation | Reference Data From Materials Project: {formula:ScCdHg2,spaceGroup:Fm-3m,id:mp-867263} |
| RD_779107028943_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P6_3mc,id:mp-28248} |
| RD_779523103900_000 | computation | Reference Data From Materials Project: {formula:ErCdCu4,spaceGroup:F-43m,id:mp-12008} |
| RD_779645387284_000 | computation | Reference Data From Materials Project: {formula:Cd(RhO2)2,spaceGroup:Fd-3m,id:mp-14100} |
| RD_779739577500_000 | computation | Reference Data From Materials Project: {formula:Ba4Nd2Cd3Se10,spaceGroup:Cmc2_1,id:mp-10409} |
| RD_780439218944_000 | computation | Reference Data From Materials Project: {formula:Er2CdS4,spaceGroup:R3m,id:mp-532059} |
| RD_780449543648_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_780745218600_000 | computation | Reference Data From Materials Project: {formula:Rb2Cd2(SO4)3,spaceGroup:P2_1,id:mp-680460} |
| RD_780977468362_000 | computation | Reference Data From Materials Project: {formula:HoCdPt2,spaceGroup:Fm-3m,id:mp-864673} |
| RD_782746981101_000 | computation | Reference Data From Materials Project: {formula:Er2CdS4,spaceGroup:Fd-3m,id:mp-3041} |
| RD_783616308440_000 | computation | Reference Data From Materials Project: {formula:LaCd3,spaceGroup:Fm-3m,id:mp-862559} |
| RD_783983854811_000 | computation | Reference Data From Materials Project: {formula:CdH18Se4(N2O7)2,spaceGroup:P-1,id:mp-722467} |
| RD_784433667602_000 | computation | Reference Data From Materials Project: {formula:CdS,spaceGroup:F-43m,id:mp-2469} |
| RD_784683227545_000 | computation | Reference Data From Materials Project: {formula:CdH4(BrO4)2,spaceGroup:P2_12_12_1,id:mp-24509} |
| RD_784686600888_000 | computation | Reference Data From Materials Project: {formula:V3Cd,spaceGroup:Pm-3m,id:mp-11312} |
| RD_785041175349_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567336} |
| RD_785631175543_000 | computation | Reference Data From Materials Project: {formula:YbLaCd2,spaceGroup:Fm-3m,id:mp-865859} |
| RD_785821921489_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_785852865568_000 | computation | Reference Data From Materials Project: {formula:PrCd3,spaceGroup:Fm-3m,id:mp-862755} |
| RD_786709079757_000 | computation | Reference Data From Materials Project: {formula:ScCdHg2,spaceGroup:Fm-3m,id:mp-867263} |
| RD_787522800786_000 | computation | Reference Data From Materials Project: {formula:Tb4CdRh,spaceGroup:F-43m,id:mp-568366} |
| RD_788608815971_000 | computation | CdTe 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_788860672189_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:Fm-3m,id:mp-2388} |
| RD_789113403939_000 | computation | Reference Data From Materials Project: {formula:K6CdO4,spaceGroup:P6_3mc,id:mp-17161} |
| RD_789868223572_000 | computation | Reference Data From Materials Project: {formula:Cd(AgO2)2,spaceGroup:I4_1/amd,id:mp-754454} |
| RD_790036662992_000 | computation | Reference Data From Materials Project: {formula:Nb6CdO16,spaceGroup:P2_1ma,id:mp-773090} |
| RD_790975247624_000 | computation | Reference Data From Materials Project: {formula:Cd2TeCl2O3,spaceGroup:Pnaa,id:mp-950214} |
| RD_791479576555_000 | computation | Reference Data From Materials Project: {formula:YCd3,spaceGroup:Fm-3m,id:mp-571059} |
| RD_792067957040_000 | computation | Reference Data From Materials Project: {formula:Pr2TlCd,spaceGroup:Fm-3m,id:mp-861594} |
| RD_792437893479_000 | computation | Reference Data From Materials Project: {formula:HoCd3,spaceGroup:Ccmm,id:mp-11302} |
| RD_792819916999_000 | computation | Reference Data From Materials Project: {formula:TiCdFe(PO4)3,spaceGroup:R3c,id:mp-743598} |
| RD_792887321745_000 | computation | Reference Data From Materials Project: {formula:Cd3As2,spaceGroup:P4_2/nmc,id:mp-1372} |
| RD_793248340836_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571605} |
| RD_793741403360_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571197} |
| RD_794488102504_000 | computation | Reference Data From Materials Project: {formula:KCd3H8Cl7O4,spaceGroup:P2_1/m,id:mp-554483} |
| RD_794494610196_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-569964} |
| RD_794761244319_000 | computation | Reference Data From Materials Project: {formula:Ba11(Cd4Bi7)2,spaceGroup:C2/m,id:mp-655147} |
| RD_795101305296_000 | computation | Reference Data From Materials Project: {formula:Cd(FeO2)2,spaceGroup:Fd-3m,id:mp-24940} |
| RD_795259302237_000 | computation | Reference Data From Materials Project: {formula:Dy4CdCo,spaceGroup:F-43m,id:mp-571376} |
| RD_795421077903_000 | computation | Reference Data From Materials Project: {formula:Cd(C2N3)2,spaceGroup:P2_1/c,id:mp-636559} |
| RD_798147968386_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680092} |
| RD_798613167271_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_798812248955_000 | computation | Reference Data From Materials Project: {formula:DyCd,spaceGroup:Pm-3m,id:mp-770} |
| RD_799089924022_000 | computation | Reference Data From Materials Project: {formula:PmCaCd2,spaceGroup:Fm-3m,id:mp-862881} |
| RD_801358675259_000 | computation | Reference Data From Materials Project: {formula:CdPH6NO5,spaceGroup:Pcmn,id:mp-505364} |
| RD_801761865793_000 | computation | Reference Data From Materials Project: {formula:Y13Cd58,spaceGroup:P6_3/mmc,id:mp-582709} |
| RD_803176648919_000 | computation | Reference Data From Materials Project: {formula:Ho2CdS4,spaceGroup:Fd-3m,id:mp-6942} |
| RD_803312437801_000 | computation | Reference Data From Materials Project: {formula:CdBiSe2I,spaceGroup:C2/m,id:mp-570961} |
| RD_803500590433_000 | computation | Reference Data From Materials Project: {formula:Cd2PdRh,spaceGroup:Fm-3m,id:mp-865926} |
| RD_803605970655_000 | computation | Reference Data From Materials Project: {formula:CdMoPO6,spaceGroup:P2_1/c,id:mp-565194} |
| RD_804378958905_000 | computation | Reference Data From Materials Project: {formula:CdH4S2O5,spaceGroup:P2_1/c,id:mp-722381} |
| RD_804809610414_000 | computation | Reference Data From Materials Project: {formula:CdSiO3,spaceGroup:P2_1/c,id:mp-560560} |
| RD_804906112751_000 | computation | Reference Data From Materials Project: {formula:CdBr2,spaceGroup:R-3m,id:mp-568722} |
| RD_805194360699_000 | computation | Reference Data From Materials Project: {formula:NaCd2Pt,spaceGroup:Fm-3m,id:mp-865076} |
| RD_805428054646_000 | computation | Reference Data From Materials Project: {formula:YMgCd2,spaceGroup:Fm-3m,id:mp-865512} |
| RD_805494069827_000 | computation | Reference Data From Materials Project: {formula:Cd2Bi6O11,spaceGroup:P1,id:mp-675654} |
| RD_806417549932_000 | computation | Reference Data From Materials Project: {formula:HoCdAg2,spaceGroup:Fm-3m,id:mp-864904} |
| RD_806637493027_000 | computation | Reference Data From Materials Project: {formula:Yb2CdIn,spaceGroup:Fm-3m,id:mp-866175} |
| RD_806918484906_000 | computation | Reference Data From Materials Project: {formula:CdP2,spaceGroup:P4_32_12,id:mp-913} |
| RD_807108820669_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571535} |
| RD_807558353873_000 | computation | Reference Data From Materials Project: {formula:Cs4CdNi3F12,spaceGroup:R-3m,id:mp-619753} |
| RD_808153255664_000 | computation | Reference Data From Materials Project: {formula:CdPd,spaceGroup:P4/mmm,id:mp-1696} |
| RD_808824880084_000 | computation | Reference Data From Materials Project: {formula:ThCd2,spaceGroup:P6/mmm,id:mp-1210} |
| RD_808877476722_000 | computation | Reference Data From Materials Project: {formula:Cd3N2,spaceGroup:Ia3,id:mp-569957} |
| RD_809069716874_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571568} |
| RD_809249692736_000 | computation | Reference Data From Materials Project: {formula:Cd(NiO2)2,spaceGroup:I4_1/amd,id:mp-770597} |
| RD_810368745169_000 | computation | Reference Data From Materials Project: {formula:ErCd3,spaceGroup:Ccmm,id:mp-7303} |
| RD_810713148036_000 | computation | Reference Data From Materials Project: {formula:SrCd2H16(Cl3O4)2,spaceGroup:P-1,id:mp-759862} |
| RD_810726892305_000 | computation | Reference Data From Materials Project: {formula:CdGaRh2,spaceGroup:Fm-3m,id:mp-861909} |
| RD_811082350787_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571567} |
| RD_811407238584_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-647489} |
| RD_811885045272_000 | computation | Reference Data From Materials Project: {formula:Sr3V4CdO14,spaceGroup:P4_12_12,id:mp-566656} |
| RD_812408638058_000 | computation | Reference Data From Materials Project: {formula:YCdHg2,spaceGroup:Fm-3m,id:mp-865525} |
| RD_812665337903_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570559} |
| RD_814207595710_000 | computation | Reference Data From Materials Project: {formula:LiCa2Cd,spaceGroup:Fm-3m,id:mp-867803} |
| RD_814397805720_000 | computation | Reference Data From Materials Project: {formula:Cd2AgRh,spaceGroup:Fm-3m,id:mp-861878} |
| RD_817437829802_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567567} |
| RD_818152607295_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_819405937243_000 | computation | Reference Data From Materials Project: {formula:CdP2,spaceGroup:P2_1cn,id:mp-402} |
| RD_819578685363_000 | computation | Reference Data From Materials Project: {formula:LaCdAu2,spaceGroup:Fm-3m,id:mp-862743} |
| RD_819651693189_000 | computation | Reference Data From Materials Project: {formula:Ba2CdReO6,spaceGroup:Fm-3m,id:mp-551702} |
| RD_820376069356_000 | computation | Reference Data From Materials Project: {formula:UCd3O6,spaceGroup:P2_1/c,id:mp-754725} |
| RD_821878950186_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-624417} |
| RD_822857131133_000 | computation | Reference Data From Materials Project: {formula:LaCd(BO2)5,spaceGroup:P2_1/c,id:mp-14555} |
| RD_823224151012_000 | computation | Reference Data From Materials Project: {formula:RbCd(NO2)3,spaceGroup:Pm3,id:mp-22597} |
| RD_823284232665_000 | computation | Reference Data From Materials Project: {formula:Cd9(InSe2)20,spaceGroup:P1,id:mp-703302} |
| RD_823831871031_000 | computation | Reference Data From Materials Project: {formula:Er2TlCd,spaceGroup:Fm-3m,id:mp-861628} |
| RD_824045658632_000 | computation | Reference Data From Materials Project: {formula:ZrTlCdF7,spaceGroup:Ccmm,id:mp-561423} |
| RD_824595501603_000 | computation | Reference Data From Materials Project: {formula:Cd(AgO2)2,spaceGroup:Fddd,id:mp-755449} |
| RD_824752571165_000 | computation | Reference Data From Materials Project: {formula:PaCdPt2,spaceGroup:Fm-3m,id:mp-861974} |
| RD_825745720318_000 | computation | Reference Data From Materials Project: {formula:Al6Cd4TeO12,spaceGroup:I-43m,id:mp-9535} |
| RD_826114914044_000 | computation | Reference Data From Materials Project: {formula:Sr21(Cd2Bi9)2,spaceGroup:C2/m,id:mp-582108} |
| RD_826251473734_000 | computation | Reference Data From Materials Project: {formula:CdSe,spaceGroup:Fm-3m,id:mp-1055} |
| RD_826819453670_000 | computation | Reference Data From Materials Project: {formula:CaCdSn,spaceGroup:P-62m,id:mp-568695} |
| RD_826913919230_000 | computation | Reference Data From Materials Project: {formula:BaVCdP2O9,spaceGroup:Pbca,id:mp-699566} |
| RD_827023845050_000 | computation | Reference Data From Materials Project: {formula:Cd2SiO4,spaceGroup:Fd-3m,id:mp-560842} |
| RD_829137415194_000 | computation | Reference Data From Materials Project: {formula:NaTl2Cd,spaceGroup:Fm-3m,id:mp-865127} |
| RD_829630387737_000 | computation | Reference Data From Materials Project: {formula:ScCd3,spaceGroup:P6_3/mmc,id:mp-30494} |
| RD_830175948402_000 | computation | Reference Data From Materials Project: {formula:CdAs2,spaceGroup:I4_122,id:mp-471} |
| RD_830300038160_000 | computation | Reference Data From Materials Project: {formula:Ba(CdP)2,spaceGroup:P-3m1,id:mp-8279} |
| RD_830327851873_000 | computation | Reference Data From Materials Project: {formula:Zr3Cd3AgF20,spaceGroup:P6_3/m,id:mp-555315} |
| RD_830640697261_000 | computation | Reference Data From Materials Project: {formula:Cd4GeS6,spaceGroup:Cc,id:mp-5151} |
| RD_831125024376_000 | computation | Reference Data From Materials Project: {formula:Cd2PCl2,spaceGroup:P2_1/c,id:mp-31276} |
| RD_831152197386_000 | computation | Reference Data From Materials Project: {formula:Sr(CdAs)2,spaceGroup:P-3m1,id:mp-7771} |
| RD_832430496510_000 | computation | Reference Data From Materials Project: {formula:YbCdCu4,spaceGroup:F-43m,id:mp-12009} |
| RD_834082177132_000 | computation | Reference Data From Materials Project: {formula:Cd2Hg,spaceGroup:I4/mmm,id:mp-11299} |
| RD_834197214202_000 | computation | Reference Data From Materials Project: {formula:LuCdPd2,spaceGroup:Fm-3m,id:mp-866207} |
| RD_834702293836_000 | computation | Reference Data From Materials Project: {formula:Cr2CdO4,spaceGroup:Fd-3m,id:mp-19262} |
| RD_835347689482_000 | computation | Reference Data From Materials Project: {formula:Cd2SiO4,spaceGroup:Fddd,id:mp-4530} |
| RD_836105369522_000 | computation | Reference Data From Materials Project: {formula:CsCdF3,spaceGroup:Pm-3m,id:mp-8399} |
| RD_838053463117_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_838340625554_000 | computation | Reference Data From Materials Project: {formula:YCdPd2,spaceGroup:Fm-3m,id:mp-865520} |
| RD_838820467011_000 | computation | Reference Data From Materials Project: {formula:Cd2SiO4,spaceGroup:Fd-3m,id:mp-560842} |
| RD_838920857128_000 | computation | Reference Data From Materials Project: {formula:Cd2H2SO6,spaceGroup:P2_1/c,id:mp-558011} |
| RD_839184606744_000 | computation | Reference Data From Materials Project: {formula:SmCd,spaceGroup:Pm-3m,id:mp-572} |
| RD_839481728554_000 | computation | Reference Data From Materials Project: {formula:TlCd(NO2)3,spaceGroup:R3,id:mp-11018} |
| RD_839715460273_000 | computation | CdS 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_840714406364_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571660} |
| RD_841300638628_000 | computation | Reference Data From Materials Project: {formula:CdSO4,spaceGroup:Pn2_1m,id:mp-5679} |
| RD_841385187461_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:P31m,id:mp-16886} |
| RD_841751189774_000 | computation | Reference Data From Materials Project: {formula:CdS,spaceGroup:Fm-3m,id:mp-370} |
| RD_842445747860_000 | computation | Reference Data From Materials Project: {formula:Yb(CdSb)2,spaceGroup:P-3m1,id:mp-9257} |
| RD_842920251103_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567336} |
| RD_843001600216_000 | computation | Reference Data From Materials Project: {formula:CdBiS2Br,spaceGroup:C2/m,id:mp-561079} |
| RD_843841291007_000 | computation | Reference Data From Materials Project: {formula:CdBiClO2,spaceGroup:P2_1/m,id:mp-550553} |
| RD_844092133406_000 | computation | Reference Data From Materials Project: {formula:TiCdO3,spaceGroup:Pbn2_1,id:mp-5052} |
| RD_844416450125_000 | computation | Reference Data From Materials Project: {formula:YbTl2Cd,spaceGroup:Fm-3m,id:mp-866002} |
| RD_844740685268_000 | computation | Reference Data From Materials Project: {formula:CdSbAu,spaceGroup:F-43m,id:mp-16246} |
| RD_844945884771_000 | computation | Reference Data From Materials Project: {formula:K2ZrCdH16(CO3)8,spaceGroup:I-4,id:mp-698292} |
| RD_845633865629_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_846596118143_000 | computation | Reference Data From Materials Project: {formula:Ca(CdSb)2,spaceGroup:P-3m1,id:mp-7430} |
| RD_847563087931_000 | computation | Reference Data From Materials Project: {formula:CdNi,spaceGroup:Fd-3m,id:mp-11310} |
| RD_847810664940_000 | computation | Reference Data From Materials Project: {formula:Dy4CdRh,spaceGroup:F-43m,id:mp-570768} |
| RD_847886499032_000 | computation | Reference Data From Materials Project: {formula:Cd(InSe2)2,spaceGroup:I-4,id:mp-22304} |
| RD_848506187536_000 | computation | Reference Data From Materials Project: {formula:ThCdAg2,spaceGroup:Fm-3m,id:mp-867372} |
| RD_848760037252_000 | computation | Reference Data From Materials Project: {formula:CdHSeNO6,spaceGroup:Pbca,id:mp-723054} |
| RD_848769057758_000 | computation | Reference Data From Materials Project: {formula:CdAg,spaceGroup:Pm-3m,id:mp-2642} |
| RD_849626335907_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-669360} |
| RD_849693861872_000 | computation | Reference Data From Materials Project: {formula:Cr2CdH14(NO2)4,spaceGroup:C2/m,id:mp-743876} |
| RD_849698209304_000 | computation | Reference Data From Materials Project: {formula:Li2CdSn,spaceGroup:Fm-3m,id:mp-12580} |
| RD_850030189575_000 | computation | Reference Data From Materials Project: {formula:CaCd2,spaceGroup:P6_3/mmc,id:mp-1078} |
| RD_850085674027_000 | computation | Reference Data From Materials Project: {formula:Sc2TlCd,spaceGroup:Fm-3m,id:mp-861918} |
| RD_850259783575_000 | computation | Reference Data From Materials Project: {formula:Cd2GaAgS4,spaceGroup:P2_1nm,id:mp-6356} |
| RD_850341127737_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571225} |
| RD_850711727007_000 | computation | Reference Data From Materials Project: {formula:CdGeO3,spaceGroup:R-3,id:mp-8275} |
| RD_850721178886_000 | computation | CdTe in AFLOW crystal prototype AB_hP6_152_a_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_851185001654_000 | computation | Reference Data From Materials Project: {formula:ErCd2,spaceGroup:P6/mmm,id:mp-11296} |
| RD_852104805842_000 | computation | Reference Data From Materials Project: {formula:CdSnF6,spaceGroup:R-3,id:mp-13907} |
| RD_853341365415_000 | computation | Reference Data From Materials Project: {formula:Yb2CdSn,spaceGroup:Fm-3m,id:mp-865918} |
| RD_854454014370_000 | computation | Reference Data From Materials Project: {formula:TmCdRh2,spaceGroup:Fm-3m,id:mp-865206} |
| RD_854638987585_000 | computation | Reference Data From Materials Project: {formula:CaCdAu2,spaceGroup:Fm-3m,id:mp-866010} |
| RD_854798148563_000 | computation | Reference Data From Materials Project: {formula:CdSnO3,spaceGroup:R-3,id:mp-754329} |
| RD_854901955967_000 | computation | Reference Data From Materials Project: {formula:Pr6Cd4Pd13,spaceGroup:Im-3m,id:mp-569508} |
| RD_855102510247_000 | computation | Reference Data From Materials Project: {formula:PaCdAu2,spaceGroup:Fm-3m,id:mp-861973} |
| RD_855864619220_000 | computation | Reference Data From Materials Project: {formula:CdSb,spaceGroup:Pbca,id:mp-1321} |
| RD_856413453013_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P6_3mc,id:mp-570089} |
| RD_856776430754_000 | computation | Reference Data From Materials Project: {formula:CdCu2,spaceGroup:P6_3/mmc,id:mp-16775} |
| RD_856803433234_000 | computation | Reference Data From Materials Project: {formula:CdPt3,spaceGroup:Pm-3m,id:mp-866022} |
| RD_856950213800_000 | computation | Reference Data From Materials Project: {formula:ZrBeCd,spaceGroup:F-43m,id:mp-631509} |
| RD_857443783285_000 | computation | Reference Data From Materials Project: {formula:TmCdRh2,spaceGroup:Fm-3m,id:mp-865206} |
| RD_857659201990_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571615} |
| RD_857683959566_000 | computation | Reference Data From Materials Project: {formula:Cd(PO3)2,spaceGroup:P2_12_12_1,id:mp-557614} |
| RD_858923414057_000 | computation | Reference Data From Materials Project: {formula:PuCdAu2,spaceGroup:Fm-3m,id:mp-862859} |
| RD_858982593443_000 | computation | Reference Data From Materials Project: {formula:Ho2TlCd,spaceGroup:Fm-3m,id:mp-861994} |
| RD_859182018954_000 | computation | Reference Data From Materials Project: {formula:AcMgCd2,spaceGroup:Fm-3m,id:mp-865979} |
| RD_859665195912_000 | computation | Reference Data From Materials Project: {formula:Sm13Cd58,spaceGroup:P6_3/mmc,id:mp-582240} |
| RD_859833144184_000 | computation | Reference Data From Materials Project: {formula:Sr(CdAs)2,spaceGroup:P-3m1,id:mp-7771} |
| RD_859884882616_000 | computation | CaCd in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_860354339155_000 | computation | Reference Data From Materials Project: {formula:CdS,spaceGroup:P6_3mc,id:mp-672} |
| RD_860570488488_000 | computation | Reference Data From Materials Project: {formula:CaCdGe,spaceGroup:P-62m,id:mp-16258} |
| RD_861005141754_000 | computation | AuCd in AFLOW crystal prototype AB_hP18_157_ab2c_ab2c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_861296358713_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |