An item of "reference data" is an experimental result or a high-accuracy computation (such as using density functional theory (DFT)) for a material property defined in OpenKIM for a particular system (e.g. the {111} surface energy of fcc Cu). Click for more information.
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| Reference Data | Data Method | Description |
|---|---|---|
| RD_879735221721_000 | computation | Reference Data From Materials Project: {formula:Ca7Sn6,spaceGroup:Pnam,id:mp-31394} |
| RD_879782695093_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P321,id:mp-766313} |
| RD_879920877385_000 | computation | Reference Data From Materials Project: {formula:Ca2FeWO6,spaceGroup:R-3m,id:mp-619611} |
| RD_880453123836_000 | computation | Reference Data From Materials Project: {formula:CaAcHg2,spaceGroup:Fm-3m,id:mp-865173} |
| RD_881759568209_000 | computation | Reference Data From Materials Project: {formula:Ca,spaceGroup:P6_3/mmc,id:mp-132} |
| RD_882019104290_000 | computation | Reference Data From Materials Project: {formula:CaGa2,spaceGroup:P6/mmm,id:mp-992} |
| RD_882228185113_000 | computation | Reference Data From Materials Project: {formula:Ca(AlGa)2,spaceGroup:I4/mmm,id:mp-9690} |
| RD_882248911822_000 | computation | Reference Data From Materials Project: {formula:Ca3Co(SeO3)4,spaceGroup:I4_1/a,id:mp-622557} |
| RD_883520534085_000 | computation | Reference Data From Materials Project: {formula:KCaNd(PO4)2,spaceGroup:P6_4,id:mp-676934} |
| RD_883763455084_000 | computation | Reference Data From Materials Project: {formula:Ca10P6O25,spaceGroup:P-6,id:mp-29760} |
| RD_884534578312_000 | computation | Reference Data From Materials Project: {formula:CaPt5,spaceGroup:P6/mmm,id:mp-30481} |
| RD_884782804387_000 | computation | Reference Data From Materials Project: {formula:CaSO4,spaceGroup:P6_222,id:mp-3082} |
| RD_886102563464_000 | computation | Reference Data From Materials Project: {formula:Ca9Cd4Bi9,spaceGroup:Pmcb,id:mp-30446} |
| RD_886310029734_000 | computation | Ca in AFLOW crystal prototype A_tI8_140_h. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_886494577275_000 | computation | Reference Data From Materials Project: {formula:CaIn2,spaceGroup:P6_3/mmc,id:mp-581665} |
| RD_886799408692_000 | computation | Reference Data From Materials Project: {formula:CaYHg2,spaceGroup:Fm-3m,id:mp-866223} |
| RD_886954121458_000 | computation | Reference Data From Materials Project: {formula:Ca(GaSe2)2,spaceGroup:Fddd,id:mp-13873} |
| RD_887100452117_000 | computation | Reference Data From Materials Project: {formula:CaMgB2O5,spaceGroup:P2_1/c,id:mp-6585} |
| RD_887997422731_000 | computation | Reference Data From Materials Project: {formula:CaMgSn,spaceGroup:Pmnb,id:mp-4864} |
| RD_888295248215_000 | computation | Reference Data From Materials Project: {formula:NaCaVO4,spaceGroup:Ccmm,id:mp-566919} |
| RD_889074778783_000 | computation | Reference Data From Materials Project: {formula:CaPPt,spaceGroup:Pm2_1b,id:mp-28339} |
| RD_889647669694_000 | computation | Reference Data From Materials Project: {formula:CaP3H16(NO4)3,spaceGroup:P2_1/c,id:mp-707856} |
| RD_889676263082_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:Pbcn,id:mp-766352} |
| RD_889860710966_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6WO16,spaceGroup:F2mm,id:mp-565925} |
| RD_890074611528_000 | computation | Reference Data From Materials Project: {formula:CaSnAu,spaceGroup:Pmcn,id:mp-29561} |
| RD_890298077458_000 | computation | Reference Data From Materials Project: {formula:CaBiCO4F,spaceGroup:Pbab,id:mp-556666} |
| RD_890320991062_000 | computation | Reference Data From Materials Project: {formula:NaCaB5(H5O7)2,spaceGroup:P2_1/c,id:mp-707788} |
| RD_890486452487_000 | computation | Reference Data From Materials Project: {formula:SrCaSiO4,spaceGroup:P2_1cn,id:mp-554006} |
| RD_890502520884_000 | computation | Reference Data From Materials Project: {formula:CaBiAu,spaceGroup:F-43m,id:mp-568398} |
| RD_890680943550_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:P4_122,id:mp-866943} |
| RD_890693118825_000 | computation | CaZn in AFLOW crystal prototype AB11_tI48_141_b_aci (BaCd11). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_890799098031_000 | computation | Reference Data From Materials Project: {formula:Ca3SiO5,spaceGroup:P-1,id:mp-641754} |
| RD_891315889381_000 | computation | Reference Data From Materials Project: {formula:CaMo5O8,spaceGroup:P2_1/c,id:mp-19585} |
| RD_892424635092_000 | computation | CaSi 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': 0} |
| RD_892763774750_000 | computation | Reference Data From Materials Project: {formula:K2Ca(NO2)4,spaceGroup:C2/m,id:mp-557597} |
| RD_893514723020_000 | computation | Reference Data From Materials Project: {formula:CaH2(CO2)2,spaceGroup:P4_12_12,id:mp-560210} |
| RD_893697651727_000 | computation | Reference Data From Materials Project: {formula:K2Ca2(CO3)3,spaceGroup:R3,id:mp-554591} |
| RD_894180175676_000 | computation | Reference Data From Materials Project: {formula:Ca3Ta2O8,spaceGroup:C2/c,id:mp-769390} |
| RD_894306627240_000 | computation | Reference Data From Materials Project: {formula:BaCaSiO4,spaceGroup:P6_3mc,id:mp-561050} |
| RD_894315529915_000 | computation | Reference Data From Materials Project: {formula:SrCaI4,spaceGroup:I4_1/a,id:mp-850305} |
| RD_894594829480_000 | computation | Reference Data From Materials Project: {formula:BaCaRu2,spaceGroup:F-43m,id:mp-631512} |
| RD_895029912982_000 | computation | Reference Data From Materials Project: {formula:NaCa3AlFe3(SiO3)8,spaceGroup:P2/c,id:mp-743726} |
| RD_895258079261_000 | computation | Reference Data From Materials Project: {formula:Ba2CaWO6,spaceGroup:Fm-3m,id:mp-18977} |
| RD_895292435293_000 | computation | Reference Data From Materials Project: {formula:CaGa4,spaceGroup:I4/mmm,id:mp-1976} |
| RD_895588805663_000 | computation | Reference Data From Materials Project: {formula:Ca2SbAu,spaceGroup:Fm-3m,id:mp-861950} |
| RD_895916994239_000 | computation | Reference Data From Materials Project: {formula:CaF2,spaceGroup:Fm-3m,id:mp-2741} |
| RD_895982872501_000 | computation | Reference Data From Materials Project: {formula:KCa2P4H11O18,spaceGroup:P1,id:mp-697128} |
| RD_896259846593_000 | computation | Reference Data From Materials Project: {formula:Ca3Zr2Fe2SiO12,spaceGroup:I4_1/acd,id:mp-743696} |
| RD_896604607370_000 | computation | Reference Data From Materials Project: {formula:Ca2SiO4,spaceGroup:Pcmn,id:mp-4481} |
| RD_896905096102_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:P2_1/c,id:mp-866520} |
| RD_897532567783_000 | computation | Reference Data From Materials Project: {formula:TbCaF6,spaceGroup:P4_2/m,id:mp-20154} |
| RD_897739827543_000 | computation | Reference Data From Materials Project: {formula:CaCu3(GeO3)4,spaceGroup:Im3,id:mp-17599} |
| RD_898290736251_000 | computation | Reference Data From Materials Project: {formula:Ca5BC4Cl3,spaceGroup:Cmcm,id:mp-781865} |
| RD_898357407785_000 | computation | Reference Data From Materials Project: {formula:Ca3BCNCl2,spaceGroup:Pmcn,id:mp-649453} |
| RD_898799761132_000 | computation | Reference Data From Materials Project: {formula:NaCa2Tl,spaceGroup:Fm-3m,id:mp-865051} |
| RD_899341645644_000 | computation | Reference Data From Materials Project: {formula:LiCaCrF6,spaceGroup:P-31c,id:mp-565468} |
| RD_899682091180_000 | computation | Reference Data From Materials Project: {formula:Ca2SiB5O14,spaceGroup:P2_1/c,id:mp-867937} |
| RD_900352018920_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:C2,id:mp-867047} |
| RD_901255509400_000 | computation | Reference Data From Materials Project: {formula:Li2CaSi,spaceGroup:Fm-3m,id:mp-865965} |
| RD_901304531561_000 | computation | Reference Data From Materials Project: {formula:Ca(BIr)2,spaceGroup:Fddd,id:mp-14445} |
| RD_901657700329_000 | computation | Reference Data From Materials Project: {formula:CaMg2,spaceGroup:P6_3/mmc,id:mp-2432} |
| RD_901706923158_000 | computation | Reference Data From Materials Project: {formula:CaBi6(PO5)4,spaceGroup:P-1,id:mp-556615} |
| RD_902082901594_000 | computation | CaZn in AFLOW crystal prototype AB11_tI48_141_b_aci (BaCd11). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_902117078358_000 | computation | Reference Data From Materials Project: {formula:CaAlPd,spaceGroup:Pmca,id:mp-571039} |
| RD_902709764734_000 | computation | Reference Data From Materials Project: {formula:Ca10V6O25,spaceGroup:P-3,id:mp-891955} |
| RD_904041399309_000 | computation | Reference Data From Materials Project: {formula:Ca5CuPb3,spaceGroup:P6_3/mcm,id:mp-680754} |
| RD_904902778244_000 | computation | Reference Data From Materials Project: {formula:Ca6Al7O16,spaceGroup:I-43d,id:mp-721592} |
| RD_905439761911_000 | computation | Reference Data From Materials Project: {formula:Ca4Al3O10,spaceGroup:P-1,id:mp-675084} |
| RD_905766995569_000 | computation | Reference Data From Materials Project: {formula:Ca(AlZn)2,spaceGroup:I4/mmm,id:mp-30175} |
| RD_906042977886_000 | computation | Reference Data From Materials Project: {formula:CsCaH3,spaceGroup:Pm-3m,id:mp-644203} |
| RD_906914680542_000 | computation | Reference Data From Materials Project: {formula:LiCaCoF6,spaceGroup:P-31c,id:mp-555529} |
| RD_907384522451_000 | computation | CaSi 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': 0} |
| RD_907419574742_000 | computation | Reference Data From Materials Project: {formula:CaGe2,spaceGroup:P6_3mc,id:mp-13286} |
| RD_907950775610_000 | computation | Reference Data From Materials Project: {formula:YbCaInS4,spaceGroup:Pcmn,id:mp-541277} |
| RD_908490737984_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P2_1/c,id:mp-766332} |
| RD_908848524788_000 | computation | Reference Data From Materials Project: {formula:BaCaGe,spaceGroup:Pmnb,id:mp-16252} |
| RD_909520896307_000 | computation | Reference Data From Materials Project: {formula:Ba6CaI14,spaceGroup:Cmce,id:mp-766330} |
| RD_909720208681_000 | computation | Reference Data From Materials Project: {formula:Ca2FeWO6,spaceGroup:Pm2m,id:mp-623098} |
| RD_909767670529_000 | computation | Reference Data From Materials Project: {formula:Ca2PbAu2,spaceGroup:P4/mbm,id:mp-20723} |
| RD_910091301363_000 | computation | Reference Data From Materials Project: {formula:CaPtF6,spaceGroup:R-3,id:mp-8255} |
| RD_910115462692_000 | computation | Reference Data From Materials Project: {formula:Ca(CdP)2,spaceGroup:P-3m1,id:mp-9570} |
| RD_910298923222_000 | computation | Reference Data From Materials Project: {formula:CaIn4Ni,spaceGroup:Ccmm,id:mp-672194} |
| RD_910990376675_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:C222_1,id:mp-866829} |
| RD_911316436303_000 | computation | Reference Data From Materials Project: {formula:CaNb2O6,spaceGroup:Pnab,id:mp-17101} |
| RD_911913881262_000 | computation | Reference Data From Materials Project: {formula:Na3CaSc3Zn(SiO3)8,spaceGroup:P2/c,id:mp-720987} |
| RD_912217586969_000 | computation | Reference Data From Materials Project: {formula:Tb2CaO4,spaceGroup:Pnam,id:mp-752729} |
| RD_912891830962_000 | computation | Reference Data From Materials Project: {formula:CaUS2,spaceGroup:I-42d,id:mp-33320} |
| RD_913598840885_000 | computation | Reference Data From Materials Project: {formula:Ca2CdPb,spaceGroup:Fm-3m,id:mp-865167} |
| RD_914054418138_000 | computation | Reference Data From Materials Project: {formula:K2Ca2C2O3F2,spaceGroup:Ccm2_1,id:mp-682592} |
| RD_914084775181_000 | computation | Reference Data From Materials Project: {formula:CaSn(BO3)2,spaceGroup:R-3,id:mp-14398} |
| RD_914308944574_000 | computation | Ca in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_914592072390_000 | computation | Reference Data From Materials Project: {formula:Ca3W2O9,spaceGroup:P2_1/m,id:mp-769816} |
| RD_914861218048_000 | computation | Reference Data From Materials Project: {formula:Ca3P4H20(NO10)2,spaceGroup:P2_1/c,id:mp-707081} |
| RD_915046516463_000 | computation | Reference Data From Materials Project: {formula:CaBi2(CO)2,spaceGroup:I4/mmm,id:mp-696904} |
| RD_915322312513_000 | computation | Reference Data From Materials Project: {formula:Ca(CuO)2,spaceGroup:I4_1/amd,id:mp-754501} |
| RD_916615680774_000 | computation | Reference Data From Materials Project: {formula:Ca3YAl3B4O15,spaceGroup:Pm,id:mp-694012} |
| RD_917036674987_000 | computation | Reference Data From Materials Project: {formula:CaCdAu2,spaceGroup:Fm-3m,id:mp-866010} |
| RD_917102108642_000 | computation | Reference Data From Materials Project: {formula:KCa(PO3)3,spaceGroup:P-6c2,id:mp-11625} |
| RD_917605336255_000 | computation | CaZn in AFLOW crystal prototype A5B3_tI32_140_cl_ah (Cr5B3). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_918243134460_000 | computation | Reference Data From Materials Project: {formula:Ca(CoP)2,spaceGroup:I4/mmm,id:mp-3210} |
| RD_918283982206_000 | computation | Reference Data From Materials Project: {formula:CaSn3,spaceGroup:Pm-3m,id:mp-11290} |
| RD_918667446209_000 | computation | Reference Data From Materials Project: {formula:CaMnF5,spaceGroup:C2/c,id:mp-557426} |
| RD_918903399920_000 | computation | Reference Data From Materials Project: {formula:Ca2YFe4SbO12,spaceGroup:P-1,id:mp-743862} |
| RD_919427021175_000 | computation | Reference Data From Materials Project: {formula:LiCaPrTeO6,spaceGroup:Pc,id:mp-40186} |
| RD_919709440184_000 | computation | Reference Data From Materials Project: {formula:Ca5Au2,spaceGroup:C2/c,id:mp-30367} |
| RD_920030081726_000 | computation | Reference Data From Materials Project: {formula:CaP2Xe5F22,spaceGroup:Pbn2_1,id:mp-557352} |
| RD_920275771687_000 | computation | Reference Data From Materials Project: {formula:CaCuP,spaceGroup:P6_3/mmc,id:mp-8432} |
| RD_920533291254_000 | computation | Reference Data From Materials Project: {formula:CaNb4O8,spaceGroup:Pmmn,id:mp-532358} |
| RD_920719693744_000 | computation | Reference Data From Materials Project: {formula:CaPd3C,spaceGroup:Pm-3m,id:mp-12572} |
| RD_920969866424_000 | computation | Reference Data From Materials Project: {formula:Ca3Si2(H3O5)2,spaceGroup:Cc,id:mp-696156} |
| RD_921291086891_000 | computation | Reference Data From Materials Project: {formula:Ca4Cl6O,spaceGroup:P6_3mc,id:mp-23326} |
| RD_921292728271_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:Pnna,id:mp-867676} |
| RD_921310028232_000 | computation | Reference Data From Materials Project: {formula:LiCaBi,spaceGroup:Pmnb,id:mp-569501} |
| RD_921897076412_000 | computation | Reference Data From Materials Project: {formula:Ca5TaTi3Al(SiO5)5,spaceGroup:P-1,id:mp-720394} |
| RD_922117622940_000 | computation | Reference Data From Materials Project: {formula:CaPH4O5F,spaceGroup:P-1,id:mp-721347} |
| RD_922263914239_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6O13,spaceGroup:Pcan,id:mp-680193} |
| RD_922302992789_000 | computation | Reference Data From Materials Project: {formula:CaDyHg2,spaceGroup:Fm-3m,id:mp-866228} |
| RD_923005540401_000 | computation | Reference Data From Materials Project: {formula:CaH2,spaceGroup:P6_3/mmc,id:mp-24809} |
| RD_923779373021_000 | computation | Reference Data From Materials Project: {formula:Ba6CaI14,spaceGroup:Ccme,id:mp-766337} |
| RD_923790247254_000 | computation | Reference Data From Materials Project: {formula:Ca3SnO,spaceGroup:Pm-3m,id:mp-29241} |
| RD_924147163469_000 | computation | Ca in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_924180411644_000 | computation | Reference Data From Materials Project: {formula:Ca2Ni7P4,spaceGroup:Pmn2_1,id:mp-510001} |
| RD_924333825751_000 | computation | Reference Data From Materials Project: {formula:Ca(NiAs)2,spaceGroup:I4/mmm,id:mp-4744} |
| RD_924796751534_000 | computation | Reference Data From Materials Project: {formula:NaCaAlF6,spaceGroup:P2_1/c,id:mp-558169} |
| RD_925046822779_000 | computation | CaZn in AFLOW crystal prototype A3B_oC16_63_cf_c (metal-boride; B1Re3, ICSD #43662). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_926261307757_000 | computation | Reference Data From Materials Project: {formula:Ca3Au4,spaceGroup:R-3,id:mp-12699} |
| RD_926283114854_000 | computation | Reference Data From Materials Project: {formula:CaCu3(RuO3)4,spaceGroup:Im3,id:mp-6036} |
| RD_927828857166_000 | computation | Reference Data From Materials Project: {formula:CaPd3C,spaceGroup:Pm-3m,id:mp-12572} |
| RD_928148464295_000 | computation | Reference Data From Materials Project: {formula:CaSi2,spaceGroup:P6/mmm,id:mp-12892} |
| RD_928622809415_000 | computation | Reference Data From Materials Project: {formula:Ca2Bi10O17,spaceGroup:P1,id:mp-677291} |
| RD_929965447387_000 | computation | Reference Data From Materials Project: {formula:Ca(HoS2)2,spaceGroup:I-42d,id:mp-34011} |
| RD_930145636249_000 | computation | Reference Data From Materials Project: {formula:LiCa2Ga,spaceGroup:Fm-3m,id:mp-867805} |
| RD_930458663833_000 | computation | Reference Data From Materials Project: {formula:CaNdZn2,spaceGroup:Fm-3m,id:mp-866220} |
| RD_930823168880_000 | computation | Reference Data From Materials Project: {formula:NaCaNb2O6F,spaceGroup:Imma,id:mp-42255} |
| RD_930911725356_000 | computation | Reference Data From Materials Project: {formula:CaLaMn2O6,spaceGroup:P2_1mn,id:mp-39689} |
| RD_931096509538_000 | computation | Reference Data From Materials Project: {formula:CaCrO3,spaceGroup:Pbnm,id:mp-24909} |
| RD_932157049210_000 | computation | Reference Data From Materials Project: {formula:Ca2CdPb,spaceGroup:Fm-3m,id:mp-865167} |
| RD_932377290518_000 | computation | CaO 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': 0} |
| RD_932593719745_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P321,id:mp-867953} |
| RD_933080566557_000 | computation | Reference Data From Materials Project: {formula:Ca(Al3Te5)2,spaceGroup:P1,id:mp-676724} |
| RD_933420784795_000 | computation | Reference Data From Materials Project: {formula:Ca(MnAl2)4,spaceGroup:I4/mmm,id:mp-10878} |
| RD_933475003406_000 | computation | Reference Data From Materials Project: {formula:Ca2SiO4,spaceGroup:P2_1cn,id:mp-560821} |
| RD_933584346546_000 | computation | Reference Data From Materials Project: {formula:Ca4PdO6,spaceGroup:R-3c,id:mp-10299} |
| RD_933667535873_000 | computation | Reference Data From Materials Project: {formula:Ca3Al7Cu2,spaceGroup:R-3m,id:mp-10876} |
| RD_934654908241_000 | computation | Reference Data From Materials Project: {formula:Ca(BO2)2,spaceGroup:Pbna,id:mp-3417} |
| RD_934978038402_000 | computation | Reference Data From Materials Project: {formula:CaPd2,spaceGroup:Fd-3m,id:mp-833} |
| RD_935165220542_000 | computation | Reference Data From Materials Project: {formula:Ca3GeO,spaceGroup:Imma,id:mp-17193} |
| RD_935255580586_000 | computation | Reference Data From Materials Project: {formula:Ca3SiO,spaceGroup:Pnam,id:mp-11649} |
| RD_935420070036_000 | computation | Ca in AFLOW crystal prototype A_tI2_139_a (In). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_936448287738_000 | computation | Reference Data From Materials Project: {formula:Ca4Al51Cr7,spaceGroup:P-3m1,id:mp-30174} |
| RD_936559964842_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:P1,id:mp-626564} |
| RD_937044874531_000 | computation | Reference Data From Materials Project: {formula:Ca3Al2O6,spaceGroup:Pa3,id:mp-12147} |
| RD_937329202830_000 | computation | CaSi 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': 0} |
| RD_937980727978_000 | computation | Reference Data From Materials Project: {formula:CaCrF6,spaceGroup:R-3,id:mp-557519} |
| RD_938719805448_000 | computation | Reference Data From Materials Project: {formula:CaTe,spaceGroup:Fm-3m,id:mp-1519} |
| RD_938901449450_000 | computation | Reference Data From Materials Project: {formula:Ca3(SiIr)4,spaceGroup:I-43m,id:mp-11176} |
| RD_939358687452_000 | computation | Reference Data From Materials Project: {formula:Ca4Nb2O9,spaceGroup:P2_1/c,id:mp-31016} |
| RD_939445796511_000 | computation | Reference Data From Materials Project: {formula:Ca(MnGe)2,spaceGroup:I4/mmm,id:mp-19824} |
| RD_939624730194_000 | computation | Reference Data From Materials Project: {formula:CaH3NO5,spaceGroup:Pbca,id:mp-722900} |
| RD_940696073846_000 | computation | Reference Data From Materials Project: {formula:CaTe2O5,spaceGroup:P2_1/c,id:mp-5040} |
| RD_940781473245_000 | computation | Reference Data From Materials Project: {formula:Ca2Mn7Si10H12O35,spaceGroup:P-1,id:mp-743901} |
| RD_941171437145_000 | computation | Reference Data From Materials Project: {formula:CaVBiO5,spaceGroup:Pcab,id:mp-565311} |
| RD_941299501866_000 | computation | Reference Data From Materials Project: {formula:Ca3UO6,spaceGroup:P2_1/c,id:mp-5960} |
| RD_941402978265_000 | computation | Reference Data From Materials Project: {formula:CaPd3O4,spaceGroup:Pm-3n,id:mp-3315} |
| RD_941527776665_000 | computation | Reference Data From Materials Project: {formula:Na2Ca3Si3O10,spaceGroup:C2/c,id:mp-556679} |
| RD_941596527733_000 | computation | Reference Data From Materials Project: {formula:CaTiO3,spaceGroup:Pbnm,id:mp-4019} |
| RD_941914895907_000 | computation | Reference Data From Materials Project: {formula:Ca2FeWO6,spaceGroup:I2mm,id:mp-541519} |
| RD_941925240261_000 | computation | Reference Data From Materials Project: {formula:CaSeO3,spaceGroup:Pbnm,id:mp-754140} |
| RD_941984636601_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P2_1/c,id:mp-756725} |
| RD_942149451842_000 | computation | Reference Data From Materials Project: {formula:CaHfBe,spaceGroup:F-43m,id:mp-631479} |
| RD_942367451458_000 | computation | Reference Data From Materials Project: {formula:CaH16C4(NO)10,spaceGroup:P2_1/c,id:mp-721699} |
| RD_943134226334_000 | computation | Reference Data From Materials Project: {formula:Ca10Al6Si13N30,spaceGroup:P1,id:mp-695592} |
| RD_943496041283_000 | computation | Reference Data From Materials Project: {formula:Ba2CaTlCu2O7,spaceGroup:P4/mmm,id:mp-632802} |
| RD_943516815480_000 | computation | Reference Data From Materials Project: {formula:Ca3PbO,spaceGroup:Pm-3m,id:mp-20273} |
| RD_943541350864_000 | computation | Reference Data From Materials Project: {formula:Ca(SiNi)2,spaceGroup:I4/mmm,id:mp-5292} |
| RD_943750726373_000 | computation | Reference Data From Materials Project: {formula:Na2CaH10C2O11,spaceGroup:C2/c,id:mp-24229} |
| RD_943907369812_000 | computation | Reference Data From Materials Project: {formula:CaGaBiB2O7,spaceGroup:P-42_1m,id:mp-698605} |
| RD_944450044881_000 | computation | Reference Data From Materials Project: {formula:CaGd2O4,spaceGroup:Fd-3m,id:mp-752679} |
| RD_945363740084_000 | computation | Reference Data From Materials Project: {formula:CaZrGeO5,spaceGroup:P-1,id:mp-644295} |
| RD_945763509912_000 | computation | Reference Data From Materials Project: {formula:Na4CaSn6,spaceGroup:P6_3/mmc,id:mp-568234} |
| RD_946335305553_000 | computation | Reference Data From Materials Project: {formula:CaZn2,spaceGroup:P6_3/mmc,id:mp-13364} |
| RD_947223651626_000 | computation | Reference Data From Materials Project: {formula:CaAsPt,spaceGroup:I4_1md,id:mp-28340} |
| RD_947223946492_000 | computation | Reference Data From Materials Project: {formula:CaBPO5,spaceGroup:P3_121,id:mp-6667} |
| RD_947944895027_000 | computation | Reference Data From Materials Project: {formula:Na2CaSiO4,spaceGroup:P2_13,id:mp-555342} |
| RD_948096238781_000 | computation | Reference Data From Materials Project: {formula:CaSmZn2,spaceGroup:Fm-3m,id:mp-866061} |
| RD_948417474565_000 | computation | Reference Data From Materials Project: {formula:CaTiO3,spaceGroup:Pm-3m,id:mp-5827} |
| RD_948613550187_000 | computation | Reference Data From Materials Project: {formula:Na2Ca3Ta2O9,spaceGroup:R32,id:mp-558033} |
| RD_949172810396_000 | computation | Reference Data From Materials Project: {formula:CaTa2O6,spaceGroup:Fm-3m,id:mp-38843} |
| RD_949352233707_000 | computation | Reference Data From Materials Project: {formula:Ca(MnSb)2,spaceGroup:P-3m1,id:mp-4150} |
| RD_949564765053_000 | computation | Reference Data From Materials Project: {formula:CaDyMnSnO6,spaceGroup:Pc,id:mp-706325} |
| RD_949571551517_000 | computation | Reference Data From Materials Project: {formula:Ca3PN,spaceGroup:Pm-3m,id:mp-11824} |
| RD_949885993595_000 | computation | Reference Data From Materials Project: {formula:CaDyRh2,spaceGroup:Fm-3m,id:mp-866216} |
| RD_949941795170_000 | computation | Reference Data From Materials Project: {formula:Ca2B5H2ClO10,spaceGroup:Cc,id:mp-698170} |
| RD_950256720660_000 | computation | Reference Data From Materials Project: {formula:CaCeMg2,spaceGroup:Fm-3m,id:mp-862907} |
| RD_950672444021_000 | computation | Reference Data From Materials Project: {formula:CaUO4,spaceGroup:C2/m,id:mp-632927} |
| RD_950747279554_000 | computation | Reference Data From Materials Project: {formula:CaCo(SiO3)2,spaceGroup:C2/c,id:mp-18894} |
| RD_950767753533_000 | computation | Reference Data From Materials Project: {formula:CaMn7O8,spaceGroup:C2/m,id:mp-767029} |
| RD_950810046578_000 | computation | Reference Data From Materials Project: {formula:Ca2FeClO3,spaceGroup:P4/nmm,id:mp-630511} |
| RD_951830257325_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:Cm,id:mp-766325} |
| RD_952224151025_000 | computation | Reference Data From Materials Project: {formula:Ca(BS2)2,spaceGroup:Pa3,id:mp-30958} |
| RD_952229406114_000 | computation | Reference Data From Materials Project: {formula:Ca2SiO4,spaceGroup:P2_1/c,id:mp-4180} |
| RD_952235192707_000 | computation | Reference Data From Materials Project: {formula:CaNi4B,spaceGroup:P6/mmm,id:mp-8307} |
| RD_952389245960_000 | computation | Reference Data From Materials Project: {formula:Ca2F,spaceGroup:Cm,id:mp-684949} |
| RD_952546223206_000 | computation | Reference Data From Materials Project: {formula:NaCa5ScZn5(SiO3)12,spaceGroup:C2,id:mp-705485} |
| RD_953051395773_000 | computation | Reference Data From Materials Project: {formula:Ca6MnN5,spaceGroup:P6_3/mcm,id:mp-17577} |
| RD_953089520111_000 | computation | CaSi in AFLOW crystal prototype A2B_cF12_225_c_a (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_953175171944_000 | computation | Reference Data From Materials Project: {formula:Ca3Mn2O7,spaceGroup:Cmcm,id:mp-19610} |
| RD_953487994517_000 | computation | Reference Data From Materials Project: {formula:Ca4Ta2O9,spaceGroup:P-3c1,id:mp-769307} |
| RD_953718409939_000 | computation | Reference Data From Materials Project: {formula:KCaP3(HO2)6,spaceGroup:P2_1/c,id:mp-733862} |
| RD_953996764050_000 | computation | Reference Data From Materials Project: {formula:Ca2MnAlO5,spaceGroup:I2cm,id:mp-18907} |
| RD_954269020099_000 | computation | Reference Data From Materials Project: {formula:Ba2CaOsO6,spaceGroup:Fm-3m,id:mp-6739} |
| RD_954513320817_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:Im3,id:mp-4356} |
| RD_955336525691_000 | computation | Reference Data From Materials Project: {formula:CaHgO2,spaceGroup:R-3m,id:mp-7041} |
| RD_955512017908_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P2_1/c,id:mp-766288} |
| RD_955645675834_000 | computation | Reference Data From Materials Project: {formula:CaSi2,spaceGroup:R-3m,id:mp-2699} |
| RD_955928394069_000 | computation | Reference Data From Materials Project: {formula:Ca2B5H2ClO10,spaceGroup:P1,id:mp-24595} |
| RD_956607050977_000 | computation | Reference Data From Materials Project: {formula:Ca(PtO2)2,spaceGroup:P4_2/mmc,id:mp-558172} |
| RD_956838313987_000 | computation | Reference Data From Materials Project: {formula:Na13Ca7S12(ClO16)3,spaceGroup:P1,id:mp-721012} |
| RD_956893275363_000 | computation | Reference Data From Materials Project: {formula:CaP3H16(NO4)3,spaceGroup:P2_1/c,id:mp-849799} |
| RD_956915696178_000 | computation | Reference Data From Materials Project: {formula:CaHgH16(BrO2)4,spaceGroup:Cmce,id:mp-722766} |
| RD_957529841811_000 | computation | Reference Data From Materials Project: {formula:NaCa4TaTi4(SiO5)5,spaceGroup:P1,id:mp-694049} |
| RD_957558075129_000 | computation | Reference Data From Materials Project: {formula:Ca3Ga4O9,spaceGroup:Cmm2,id:mp-29226} |
| RD_957781050209_000 | computation | Reference Data From Materials Project: {formula:Ca5P3HO13,spaceGroup:P2_1/c,id:mp-721624} |
| RD_959000731780_000 | computation | Reference Data From Materials Project: {formula:Ba3CaRu2O9,spaceGroup:P6_3/mmc,id:mp-6443} |
| RD_959236570998_000 | computation | Reference Data From Materials Project: {formula:Ca4Hg9,spaceGroup:P-43m,id:mp-12541} |
| RD_959613109369_000 | computation | Reference Data From Materials Project: {formula:Ca3Tl,spaceGroup:Fm-3m,id:mp-30482} |
| RD_959737686273_000 | computation | Reference Data From Materials Project: {formula:Ba2CaCr2CuF14,spaceGroup:C2/c,id:mp-641162} |
| RD_959935693434_000 | computation | Reference Data From Materials Project: {formula:Ba2CaIrO6,spaceGroup:Fm-3m,id:mp-20841} |
| RD_960267695611_000 | computation | Reference Data From Materials Project: {formula:CaIr2,spaceGroup:Fd-3m,id:mp-570436} |
| RD_960912112022_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:P2/c,id:mp-753809} |
| RD_961157543965_000 | computation | Reference Data From Materials Project: {formula:Ca8MgAl6Si5O28,spaceGroup:P1,id:mp-744914} |
| RD_961603090192_000 | computation | Reference Data From Materials Project: {formula:CaBiCO4F,spaceGroup:Pmmn,id:mp-556839} |
| RD_961719249840_000 | computation | Reference Data From Materials Project: {formula:CaHg,spaceGroup:Pm-3m,id:mp-11286} |
| RD_963634558801_000 | computation | Reference Data From Materials Project: {formula:Li2CaTa2O7,spaceGroup:I4/mmm,id:mp-557861} |
| RD_963659270759_000 | computation | CaO 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': 0} |
| RD_963785530928_000 | computation | Reference Data From Materials Project: {formula:CaNdHg2,spaceGroup:Fm-3m,id:mp-865955} |
| RD_964181214657_000 | computation | Reference Data From Materials Project: {formula:Ca(FeSb3)4,spaceGroup:Im3,id:mp-13464} |
| RD_964386509131_000 | computation | Reference Data From Materials Project: {formula:Ca3Ta4(O6F)2,spaceGroup:P4_332,id:mp-560378} |
| RD_964397987882_000 | computation | Reference Data From Materials Project: {formula:Ca3Y2(GeO4)3,spaceGroup:Ia-3d,id:mp-669331} |
| RD_964662932930_000 | computation | Reference Data From Materials Project: {formula:CaPt2,spaceGroup:Fd-3m,id:mp-842} |
| RD_965245680080_000 | computation | Reference Data From Materials Project: {formula:Ca3Be2Si3(HO6)2,spaceGroup:P4_2/n,id:mp-699464} |
| RD_965279444222_000 | computation | Reference Data From Materials Project: {formula:Li2CaSn,spaceGroup:Fm-3m,id:mp-865964} |
| RD_965619216182_000 | computation | Reference Data From Materials Project: {formula:CaAs3,spaceGroup:P-1,id:mp-1900} |
| RD_965835598741_000 | computation | Reference Data From Materials Project: {formula:Ca(AlS2)2,spaceGroup:Fddd,id:mp-14422} |
| RD_966094084236_000 | computation | Reference Data From Materials Project: {formula:Ca4Fe9O17,spaceGroup:C2,id:mp-504795} |
| RD_966498278975_000 | computation | Reference Data From Materials Project: {formula:CaZrO3,spaceGroup:Pba2,id:mp-776024} |
| RD_967099403198_000 | computation | Reference Data From Materials Project: {formula:Ca4Ti3AlSi4O19F,spaceGroup:P-1,id:mp-534953} |
| RD_967537619021_000 | computation | Reference Data From Materials Project: {formula:NaCa3UH16C3SO25F,spaceGroup:P-1,id:mp-707264} |
| RD_967621732456_000 | computation | Reference Data From Materials Project: {formula:Ca(AlGe)2,spaceGroup:P-3m1,id:mp-3862} |
| RD_967889842456_000 | computation | Reference Data From Materials Project: {formula:Ca2MnFeSi4(HO3)5,spaceGroup:P-1,id:mp-735520} |
| RD_968969344600_000 | computation | Reference Data From Materials Project: {formula:CaH6C2(NO)4,spaceGroup:P2_1/c,id:mp-720384} |
| RD_969944535348_000 | computation | Reference Data From Materials Project: {formula:CaFe2P3HO12,spaceGroup:P2_1/c,id:mp-744240} |
| RD_970009932183_000 | computation | Reference Data From Materials Project: {formula:Ca2AgPb,spaceGroup:Fm-3m,id:mp-864991} |
| RD_970204834911_000 | computation | Reference Data From Materials Project: {formula:Ca2Sb2O7,spaceGroup:Fd-3m,id:mp-14145} |
| RD_970936041943_000 | computation | Reference Data From Materials Project: {formula:Li3CaPCO7,spaceGroup:P2_1/m,id:mp-768169} |
| RD_971499838676_000 | computation | Reference Data From Materials Project: {formula:Na3CaAl3Si3SO16,spaceGroup:P1,id:mp-720222} |
| RD_972026678790_000 | computation | Reference Data From Materials Project: {formula:CaBePO4F,spaceGroup:P2_1/c,id:mp-6899} |
| RD_972363299385_000 | computation | Reference Data From Materials Project: {formula:Ca(Ga3Te5)2,spaceGroup:C2,id:mp-675750} |
| RD_972904501257_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:Im3,id:mp-4356} |
| RD_973175106640_000 | computation | Reference Data From Materials Project: {formula:Ca4P2O9,spaceGroup:P2_1,id:mp-5263} |
| RD_973369393891_000 | computation | Reference Data From Materials Project: {formula:BaCa2(PN2)6,spaceGroup:Pa3,id:mp-6404} |
| RD_973437560345_000 | computation | Reference Data From Materials Project: {formula:CaMg(CO3)2,spaceGroup:R-3,id:mp-6459} |
| RD_973459534913_000 | computation | Reference Data From Materials Project: {formula:SrCaB5H2ClO10,spaceGroup:P1,id:mp-24705} |
| RD_974137066705_000 | computation | Reference Data From Materials Project: {formula:LiCa2Nb3O10,spaceGroup:P2_1/c,id:mp-766983} |
| RD_974532746230_000 | computation | Reference Data From Materials Project: {formula:CaB6,spaceGroup:Pm-3m,id:mp-865} |
| RD_974724792685_000 | computation | Reference Data From Materials Project: {formula:CaU(PO4)2,spaceGroup:Pcmn,id:mp-9360} |
| RD_975327632331_000 | computation | Reference Data From Materials Project: {formula:CaMg(SiO3)2,spaceGroup:C2/c,id:mp-6766} |
| RD_975410122997_000 | computation | CaSi in AFLOW crystal prototype AB2_tI12_141_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': 0} |
| RD_975414571340_000 | computation | Reference Data From Materials Project: {formula:Ca4Mg3H14,spaceGroup:P-62m,id:mp-643070} |
| RD_975495942762_000 | computation | Reference Data From Materials Project: {formula:Ca2Bi10O17,spaceGroup:Cm,id:mp-766275} |
| RD_975864985774_000 | computation | Reference Data From Materials Project: {formula:Ca5Sb3,spaceGroup:P6_3/mcm,id:mp-12467} |
| RD_976009307708_000 | computation | Reference Data From Materials Project: {formula:CaRh2,spaceGroup:Fd-3m,id:mp-571262} |
| RD_976282740735_000 | computation | Reference Data From Materials Project: {formula:Ca2AgSn,spaceGroup:Fm-3m,id:mp-867751} |
| RD_976566784231_000 | computation | Reference Data From Materials Project: {formula:Ca5Ge3H,spaceGroup:I4/mcm,id:mp-643912} |
| RD_977187410472_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:Ibmm,id:mp-5096} |
| RD_977446512631_000 | computation | CaSi 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': 0} |
| RD_977570965118_000 | computation | Reference Data From Materials Project: {formula:Ca11Al14O32,spaceGroup:C2,id:mp-33318} |
| RD_978048218939_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:I4/mcm,id:mp-3387} |
| RD_978128846545_000 | computation | Reference Data From Materials Project: {formula:CaGaAu3,spaceGroup:Pa3,id:mp-567485} |
| RD_979265430461_000 | computation | Reference Data From Materials Project: {formula:Ca3Hg,spaceGroup:Pm-3m,id:mp-571484} |
| RD_979693626726_000 | computation | Reference Data From Materials Project: {formula:CaSn2Pd,spaceGroup:Cmcm,id:mp-11958} |
| RD_980067836065_000 | computation | Reference Data From Materials Project: {formula:Ca2Al2FeSi3HO13,spaceGroup:P2_1/m,id:mp-743780} |
| RD_980379557992_000 | computation | Reference Data From Materials Project: {formula:CaGa3Ni2,spaceGroup:Cmcm,id:mp-11431} |
| RD_980795542991_000 | computation | Reference Data From Materials Project: {formula:CaTmPt2,spaceGroup:Fm-3m,id:mp-866226} |
| RD_981122171267_000 | computation | Reference Data From Materials Project: {formula:Ca3La5Mn7CrO24,spaceGroup:P1,id:mp-743745} |
| RD_981250973082_000 | computation | Reference Data From Materials Project: {formula:CaP2(HO)4,spaceGroup:C2/c,id:mp-24130} |
| RD_981301682870_000 | computation | Reference Data From Materials Project: {formula:Ca19Ag8N7,spaceGroup:Fm-3m,id:mp-5669} |
| RD_981644098056_000 | computation | Reference Data From Materials Project: {formula:Ca2Fe2Si5HO15,spaceGroup:P-1,id:mp-743675} |
| RD_981816838127_000 | computation | Reference Data From Materials Project: {formula:CaI2,spaceGroup:P-3m1,id:mp-30031} |
| RD_981931867684_000 | computation | Reference Data From Materials Project: {formula:SrCaI4,spaceGroup:P2_1/c,id:mp-755980} |
| RD_982913534591_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P-31m,id:mp-757074} |
| RD_983044710046_000 | computation | Reference Data From Materials Project: {formula:Ca4Hg9,spaceGroup:P-43m,id:mp-12541} |
| RD_984257589916_000 | computation | Reference Data From Materials Project: {formula:Ca(AuF6)2,spaceGroup:P-4m2,id:mp-28153} |
| RD_984377446145_000 | computation | Reference Data From Materials Project: {formula:Ca(GaO2)2,spaceGroup:Pc2_1n,id:mp-559849} |
| RD_984421688443_000 | computation | Reference Data From Materials Project: {formula:Ca(PPd)2,spaceGroup:I4/mmm,id:mp-6926} |
| RD_984564243004_000 | computation | Reference Data From Materials Project: {formula:Ca(AlSi)2,spaceGroup:P-3m1,id:mp-7704} |
| RD_985316560679_000 | computation | Reference Data From Materials Project: {formula:CaP,spaceGroup:P-62m,id:mp-1345} |
| RD_985594322282_000 | computation | Reference Data From Materials Project: {formula:Ca(NdTe2)2,spaceGroup:I-42d,id:mp-37263} |
| RD_985623223278_000 | computation | Reference Data From Materials Project: {formula:Ca2Bi,spaceGroup:I4/mmm,id:mp-569535} |
| RD_985756967240_000 | computation | Reference Data From Materials Project: {formula:KBa3Ca4V7Cu3O28,spaceGroup:P6_3mc,id:mp-567061} |
| RD_985924062414_000 | computation | Reference Data From Materials Project: {formula:KCa4(BO3)3,spaceGroup:C2cm,id:mp-555023} |
| RD_986891774305_000 | computation | Reference Data From Materials Project: {formula:SrCa2I6,spaceGroup:P2_1/c,id:mp-780454} |
| RD_988019797702_000 | computation | Reference Data From Materials Project: {formula:CaAlH5,spaceGroup:P2_1/c,id:mp-966582} |
| RD_988067128289_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:C2/c,id:mp-753351} |
| RD_988517921396_000 | computation | CaSi in AFLOW crystal prototype A2B_oP12_62_2c_c (metal-oxide; O2Zr1, ICSD #56696). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_988560301273_000 | computation | Reference Data From Materials Project: {formula:LiCa9Mn(PO4)7,spaceGroup:R3c,id:mp-567344} |
| RD_989265549805_000 | computation | Reference Data From Materials Project: {formula:Ca3In,spaceGroup:Fm-3m,id:mp-20581} |
| RD_989323252464_000 | computation | Reference Data From Materials Project: {formula:Ca2Nb2O7,spaceGroup:P2_1cn,id:mp-560040} |
| RD_990195834250_000 | computation | Reference Data From Materials Project: {formula:CaAu5,spaceGroup:F-43m,id:mp-568920} |
| RD_990489850771_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_990829538823_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:Pc,id:mp-753460} |
| RD_991811333469_000 | computation | Reference Data From Materials Project: {formula:CaP3,spaceGroup:P-1,id:mp-9122} |
| RD_992509375653_000 | computation | Reference Data From Materials Project: {formula:RbCa(H2N)3,spaceGroup:C2/c,id:mp-696329} |
| RD_992565772030_000 | computation | Reference Data From Materials Project: {formula:CaSn2S5,spaceGroup:Fd-3m,id:mp-866847} |
| RD_993375489139_000 | computation | Reference Data From Materials Project: {formula:CaAl2(SiO4)2,spaceGroup:P-1,id:mp-758658} |
| RD_993472354129_000 | computation | Reference Data From Materials Project: {formula:Ba2CaReO6,spaceGroup:I4/m,id:mp-12417} |
| RD_994433955947_000 | computation | Reference Data From Materials Project: {formula:CaCrP2O7,spaceGroup:P-1,id:mp-19134} |
| RD_994574464662_000 | computation | Reference Data From Materials Project: {formula:CaGeO3,spaceGroup:Pbnm,id:mp-8130} |
| RD_994752327736_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:Pbn2_1,id:mp-866813} |
| RD_994771574174_000 | computation | Reference Data From Materials Project: {formula:CaHBr,spaceGroup:P4/nmm,id:mp-24422} |
| RD_995102728455_000 | computation | Reference Data From Materials Project: {formula:Ca3SbN,spaceGroup:Pm-3m,id:mp-31157} |
| RD_995210588508_000 | computation | Reference Data From Materials Project: {formula:NaCa3ScZn3(SiO3)8,spaceGroup:P2/c,id:mp-693463} |
| RD_995357426569_000 | computation | Reference Data From Materials Project: {formula:CaSn,spaceGroup:Ccmm,id:mp-2450} |
| RD_996023826402_000 | computation | Reference Data From Materials Project: {formula:Ca(SiCu)2,spaceGroup:I4/mmm,id:mp-5486} |
| RD_996353284971_000 | computation | Reference Data From Materials Project: {formula:CaHg11,spaceGroup:Pm-3m,id:mp-30475} |
| RD_996468033328_000 | computation | Reference Data From Materials Project: {formula:CaTm2O4,spaceGroup:Cmcm,id:mp-754429} |
| RD_996890302790_000 | computation | Reference Data From Materials Project: {formula:CaIr2,spaceGroup:Fd-3m,id:mp-570436} |
| RD_996901375459_000 | computation | Reference Data From Materials Project: {formula:Sr3CaRu2O9,spaceGroup:P2_1/c,id:mp-557111} |
| RD_997137184558_000 | computation | Reference Data From Materials Project: {formula:Ca3V2O8,spaceGroup:R-3m,id:mp-542076} |
| RD_997387807378_000 | computation | Reference Data From Materials Project: {formula:LiCaSb,spaceGroup:Pmnb,id:mp-16264} |
| RD_997610521869_000 | computation | Reference Data From Materials Project: {formula:Ca(Al4Co)2,spaceGroup:Pmcb,id:mp-17871} |
| RD_997614228625_000 | computation | Reference Data From Materials Project: {formula:CaIn2Ir,spaceGroup:Pcmn,id:mp-20846} |
| RD_997926345232_000 | computation | Reference Data From Materials Project: {formula:CaPbI4,spaceGroup:P2/m,id:mp-754540} |
| RD_998088623202_000 | computation | Reference Data From Materials Project: {formula:Li3CaMnN3,spaceGroup:R-3,id:mp-569112} |
| RD_998993481284_000 | computation | CaO 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': 0} |
| RD_999135934486_000 | computation | Reference Data From Materials Project: {formula:Ca3B6(H4O5)4,spaceGroup:C2/c,id:mp-707129} |
| RD_999306330393_000 | computation | Reference Data From Materials Project: {formula:LiCaAlF6,spaceGroup:P-31c,id:mp-6134} |
| RD_999575372595_000 | computation | Reference Data From Materials Project: {formula:Na10CaSn12,spaceGroup:I-43m,id:mp-30252} |
| Reference Data | Data Method | Description |
|---|---|---|
| RD_001347371315_000 | computation | Reference Data From Materials Project: {formula:CdSe,spaceGroup:F-43m,id:mp-2691} |
| RD_002307893272_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571646} |
| RD_002402887982_000 | computation | Reference Data From Materials Project: {formula:NpCdPt2,spaceGroup:Fm-3m,id:mp-864787} |
| RD_003093772529_000 | computation | Reference Data From Materials Project: {formula:Sm13Cd58,spaceGroup:P6_3/mmc,id:mp-582240} |
| RD_005255398578_000 | computation | Reference Data From Materials Project: {formula:CdHgO2,spaceGroup:C2/m,id:mp-9146} |
| RD_005626953330_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_005712142648_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_006278636387_000 | computation | Reference Data From Materials Project: {formula:LiCdPO4,spaceGroup:Pcmn,id:mp-9018} |
| RD_006438706636_000 | computation | Reference Data From Materials Project: {formula:K6Cd4Sn3Se13,spaceGroup:R3m,id:mp-6296} |
| RD_006738205503_000 | computation | Reference Data From Materials Project: {formula:Nd23Cd4Rh7,spaceGroup:P6_3mc,id:mp-567916} |
| RD_006958534426_000 | computation | Reference Data From Materials Project: {formula:Ba(CdP)2,spaceGroup:P-3m1,id:mp-8279} |
| RD_007346183473_000 | computation | Reference Data From Materials Project: {formula:AcCdRh2,spaceGroup:Fm-3m,id:mp-861880} |
| RD_007787847093_000 | computation | Reference Data From Materials Project: {formula:VCdAgO4,spaceGroup:Pcmn,id:mp-562207} |
| RD_007792659036_000 | computation | Reference Data From Materials Project: {formula:Cd(FeO2)2,spaceGroup:P3m1,id:mp-705824} |
| RD_007915855016_000 | computation | Reference Data From Materials Project: {formula:Li2CdSiO4,spaceGroup:Pcmn,id:mp-557293} |
| RD_008220215819_000 | computation | Reference Data From Materials Project: {formula:Rb2Cd(PSe3)2,spaceGroup:P2_1/c,id:mp-541897} |
| RD_008425786147_000 | computation | Reference Data From Materials Project: {formula:Na26Cd141,spaceGroup:P6/mmm,id:mp-680434} |
| RD_008443450058_000 | computation | Reference Data From Materials Project: {formula:K6CdO4,spaceGroup:P6_3mc,id:mp-17161} |
| RD_008910261698_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571593} |
| RD_009926741779_000 | computation | Reference Data From Materials Project: {formula:CdTeMoO6,spaceGroup:P-42_1m,id:mp-565932} |
| RD_010389997213_000 | computation | Reference Data From Materials Project: {formula:CdSnO3,spaceGroup:Pbnm,id:mp-849371} |
| RD_011422812287_000 | computation | Reference Data From Materials Project: {formula:ZnCdPt2,spaceGroup:P4/mmm,id:mp-30493} |
| RD_011465753748_000 | computation | Reference Data From Materials Project: {formula:Gd2CdO4,spaceGroup:Fd-3m,id:mp-754093} |
| RD_012211163568_000 | computation | Reference Data From Materials Project: {formula:MnCd6O8,spaceGroup:Fm-3m,id:mp-761295} |
| RD_012513043863_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_012908025791_000 | computation | Reference Data From Materials Project: {formula:LaCd2,spaceGroup:P6/mmm,id:mp-12055} |
| RD_013759296556_000 | computation | Reference Data From Materials Project: {formula:CdAg3,spaceGroup:P6_3/mmc,id:mp-865910} |
| RD_014272583911_000 | computation | Reference Data From Materials Project: {formula:Rb2Cd3S4,spaceGroup:Pcmn,id:mp-18556} |
| RD_014349069846_000 | computation | Reference Data From Materials Project: {formula:Pr2CdNi2,spaceGroup:P4/mbm,id:mp-11990} |
| RD_016038387769_000 | computation | CdTe in AFLOW crystal prototype AB_oP2_25_a_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_016556341638_000 | computation | Reference Data From Materials Project: {formula:CeCd2,spaceGroup:P6/mmm,id:mp-866189} |
| RD_016992633341_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:Pm-3m,id:mp-2757} |
| RD_017034904204_000 | computation | Reference Data From Materials Project: {formula:MgCd3,spaceGroup:P6_3/mmc,id:mp-30491} |
| RD_017278033176_000 | computation | Reference Data From Materials Project: {formula:LaCdHg2,spaceGroup:Fm-3m,id:mp-862262} |
| RD_017789614334_000 | computation | Reference Data From Materials Project: {formula:Cd4NiH20(ClO)10,spaceGroup:P2_1/c,id:mp-745114} |
| RD_017835098521_000 | computation | Reference Data From Materials Project: {formula:La4CdCo,spaceGroup:F-43m,id:mp-581510} |
| RD_018154726279_000 | computation | Reference Data From Materials Project: {formula:NdCd,spaceGroup:Pm-3m,id:mp-1059} |
| RD_018707938172_000 | computation | Reference Data From Materials Project: {formula:CdGe(BiO3)2,spaceGroup:Pnab,id:mp-555027} |
| RD_019491664170_000 | computation | Reference Data From Materials Project: {formula:TmCdPt2,spaceGroup:Fm-3m,id:mp-865202} |
| RD_020116112384_000 | computation | Reference Data From Materials Project: {formula:Sr(CdP)2,spaceGroup:P-3m1,id:mp-8277} |
| RD_020656367064_000 | computation | Reference Data From Materials Project: {formula:Sr2CdWO6,spaceGroup:P2_1/c,id:mp-19014} |
| RD_020791660278_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567259} |
| RD_021450660555_000 | computation | AuCd in AFLOW crystal prototype A5B8_cI52_217_ce_cg (gammaBrass). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_021512023559_000 | computation | Reference Data From Materials Project: {formula:Li2CdSn,spaceGroup:Fm-3m,id:mp-12580} |
| RD_021780132577_000 | computation | Reference Data From Materials Project: {formula:CdH8(NO5)2,spaceGroup:Cc,id:mp-703542} |
| RD_022354083208_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:Pm-3m,id:mp-1264} |
| RD_022477749681_000 | computation | Reference Data From Materials Project: {formula:SmCdHg2,spaceGroup:Fm-3m,id:mp-867157} |
| RD_022725142130_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570939} |
| RD_023428332791_000 | computation | Reference Data From Materials Project: {formula:Al2CdO4,spaceGroup:Fd-3m,id:mp-36866} |
| RD_023993525315_000 | computation | Reference Data From Materials Project: {formula:Tb4CdRh,spaceGroup:F-43m,id:mp-568366} |
| RD_025217555612_000 | computation | Reference Data From Materials Project: {formula:Rb2Cd3Te4,spaceGroup:C2/c,id:mp-29901} |
| RD_026831548173_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_027078663097_000 | computation | Reference Data From Materials Project: {formula:Ba3Ta2CdO9,spaceGroup:P-3m1,id:mp-554669} |
| RD_027534638242_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_027590531982_000 | computation | Reference Data From Materials Project: {formula:Zr4CdO9,spaceGroup:C2/m,id:mp-676286} |
| RD_029717600909_000 | computation | Reference Data From Materials Project: {formula:Mg3Cd,spaceGroup:P6_3/mmc,id:mp-30490} |
| RD_029781196746_000 | computation | Reference Data From Materials Project: {formula:CdFeSn(PO4)3,spaceGroup:R3c,id:mp-705344} |
| RD_030130539391_000 | computation | Reference Data From Materials Project: {formula:ErCd,spaceGroup:Pm-3m,id:mp-867} |
| RD_030238145559_000 | computation | Reference Data From Materials Project: {formula:CdSe,spaceGroup:P6_3mc,id:mp-1070} |
| RD_030505023326_000 | computation | Reference Data From Materials Project: {formula:CdPd(CN)6,spaceGroup:Fm-3m,id:mp-606650} |
| RD_030858622122_000 | computation | Reference Data From Materials Project: {formula:CdH8C4(S2N3)2,spaceGroup:P-1,id:mp-24307} |
| RD_031314217018_000 | computation | Reference Data From Materials Project: {formula:K2CdP2O7,spaceGroup:C2/c,id:mp-554382} |
| RD_031541940639_000 | computation | Reference Data From Materials Project: {formula:CdPbO3,spaceGroup:Ibca,id:mp-685257} |
| RD_032173745671_000 | computation | Reference Data From Materials Project: {formula:Cd4P2Br3,spaceGroup:Pa3,id:mp-28914} |
| RD_032380860462_000 | computation | Reference Data From Materials Project: {formula:CsCeCdSe3,spaceGroup:Cmcm,id:mp-574426} |
| RD_032581256254_000 | computation | Reference Data From Materials Project: {formula:KSr2Cd2Sb3,spaceGroup:Pnma,id:mp-866639} |
| RD_032800185036_000 | computation | Reference Data From Materials Project: {formula:CsPrCdSe3,spaceGroup:Cmcm,id:mp-11118} |
| RD_033252916987_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_033577544617_000 | computation | Reference Data From Materials Project: {formula:EuTl2Cd,spaceGroup:Fm-3m,id:mp-861902} |
| RD_034249899983_000 | computation | Reference Data From Materials Project: {formula:YCdPt2,spaceGroup:Fm-3m,id:mp-865524} |
| RD_034515059341_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_034948129257_000 | computation | Reference Data From Materials Project: {formula:Ho4CdCo,spaceGroup:F-43m,id:mp-570404} |
| RD_035325752423_000 | computation | Reference Data From Materials Project: {formula:V3Cd,spaceGroup:Pm-3m,id:mp-11312} |
| RD_035885732085_000 | computation | Reference Data From Materials Project: {formula:BaCdS2,spaceGroup:Pmnb,id:mp-8885} |
| RD_036209281893_000 | computation | Reference Data From Materials Project: {formula:Cd3(PO4)2,spaceGroup:Cmce,id:mp-27600} |
| RD_037504339518_000 | computation | Reference Data From Materials Project: {formula:EuCdAu2,spaceGroup:Fm-3m,id:mp-866297} |
| RD_037504630351_000 | computation | Reference Data From Materials Project: {formula:GdTi2CdO6F,spaceGroup:Imcm,id:mp-695048} |
| RD_038267377036_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_038469421946_000 | computation | Reference Data From Materials Project: {formula:Li2CdPb,spaceGroup:Fm-3m,id:mp-11305} |
| RD_039995714860_000 | computation | Reference Data From Materials Project: {formula:Er2CdS4,spaceGroup:Fd-3m,id:mp-3041} |
| RD_040008741571_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567359} |
| RD_040060451315_000 | computation | Reference Data From Materials Project: {formula:LuCd3,spaceGroup:Ccmm,id:mp-11306} |
| RD_041078939263_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571668} |
| RD_041808247029_000 | computation | Reference Data From Materials Project: {formula:CdSe,spaceGroup:P6_3mc,id:mp-1070} |
| RD_041952365590_000 | computation | Reference Data From Materials Project: {formula:CdRe2H16C4S4(NO)8,spaceGroup:P2_1/c,id:mp-733747} |
| RD_042415788483_000 | computation | Reference Data From Materials Project: {formula:Li2Cd(PO3)4,spaceGroup:Pmnb,id:mp-559715} |
| RD_042641038883_000 | computation | Reference Data From Materials Project: {formula:CdSbS2Br,spaceGroup:C2/m,id:mp-559588} |
| RD_042877755536_000 | computation | Reference Data From Materials Project: {formula:Dy2CdS4,spaceGroup:Fd-3m,id:mp-16267} |
| RD_042985092415_000 | computation | Reference Data From Materials Project: {formula:Gd2CdS4,spaceGroup:I-42d,id:mp-677075} |
| RD_043158959568_000 | computation | Reference Data From Materials Project: {formula:CdCu2,spaceGroup:P6_3/mmc,id:mp-568315} |
| RD_043721256581_000 | computation | Reference Data From Materials Project: {formula:Cs2CdBi2S5,spaceGroup:Pmnb,id:mp-559668} |
| RD_043889508357_000 | computation | Reference Data From Materials Project: {formula:CdAgSb,spaceGroup:F-43m,id:mp-542065} |
| RD_044056426631_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_044079938211_000 | computation | Reference Data From Materials Project: {formula:TmCdHg2,spaceGroup:Fm-3m,id:mp-865983} |
| RD_044682765850_000 | computation | Reference Data From Materials Project: {formula:KCd(NO2)3,spaceGroup:R3,id:mp-11017} |
| RD_045304461353_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571592} |
| RD_045522800454_000 | computation | Reference Data From Materials Project: {formula:Ba(CdSb)2,spaceGroup:P-3m1,id:mp-8150} |
| RD_046572848491_000 | computation | Reference Data From Materials Project: {formula:Ho4CdCo,spaceGroup:F-43m,id:mp-570404} |
| RD_046959272997_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:Cmc2_1,id:mp-685146} |
| RD_047265241375_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-582619} |
| RD_047309969761_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_047860965588_000 | computation | Reference Data From Materials Project: {formula:Gd2TlCd,spaceGroup:Fm-3m,id:mp-866608} |
| RD_047891919010_000 | computation | Reference Data From Materials Project: {formula:CeCdAu,spaceGroup:P-62m,id:mp-11082} |
| RD_048098939962_000 | computation | Reference Data From Materials Project: {formula:CdGeO3,spaceGroup:C2/c,id:mp-2951} |
| RD_048966520563_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570882} |
| RD_049213758237_000 | computation | Reference Data From Materials Project: {formula:CdGeO3,spaceGroup:Cmc2_1,id:mp-685935} |
| RD_049377139103_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-669360} |
| RD_049390885162_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570314} |
| RD_049483942984_000 | computation | Reference Data From Materials Project: {formula:EuCdHg2,spaceGroup:Fm-3m,id:mp-864796} |
| RD_050835721994_000 | computation | Reference Data From Materials Project: {formula:Rb2Cd2(SO4)3,spaceGroup:P2_13,id:mp-6623} |
| RD_050848811034_000 | computation | Reference Data From Materials Project: {formula:SrCdBi2,spaceGroup:I4/mmm,id:mp-568501} |
| RD_051342807139_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570127} |
| RD_051927146218_000 | computation | Reference Data From Materials Project: {formula:YCd,spaceGroup:Pm-3m,id:mp-915} |
| RD_052319139272_000 | computation | Reference Data From Materials Project: {formula:Yb2CdGe,spaceGroup:Fm-3m,id:mp-864732} |
| RD_052516864884_000 | computation | Reference Data From Materials Project: {formula:Nd2CdS4,spaceGroup:I-42d,id:mp-37233} |
| RD_053276318994_000 | computation | Reference Data From Materials Project: {formula:TiCdO3,spaceGroup:Pm-3m,id:mp-22345} |
| RD_054846806931_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_054852096738_000 | computation | Reference Data From Materials Project: {formula:BaCd(PO3)4,spaceGroup:P2_1/c,id:mp-540736} |
| RD_055503206792_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-647489} |
| RD_055725708594_000 | computation | Reference Data From Materials Project: {formula:ThCdHg2,spaceGroup:Fm-3m,id:mp-867346} |
| RD_056326936883_000 | computation | Reference Data From Materials Project: {formula:MgCdH4(N2O5)2,spaceGroup:C2/c,id:mp-722714} |
| RD_056367139110_000 | computation | Reference Data From Materials Project: {formula:Cd4OF6,spaceGroup:P4_2/nmc,id:mp-28855} |
| RD_056658228627_000 | computation | Reference Data From Materials Project: {formula:NaCdPO4,spaceGroup:Pcmn,id:mp-6684} |
| RD_056780049010_000 | computation | Reference Data From Materials Project: {formula:CdS,spaceGroup:Fm-3m,id:mp-370} |
| RD_057422123201_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_057850898894_000 | computation | Reference Data From Materials Project: {formula:VCdClO3,spaceGroup:Pmcn,id:mp-567671} |
| RD_057927228298_000 | computation | Reference Data From Materials Project: {formula:GdCd,spaceGroup:Pm-3m,id:mp-1031} |
| RD_057930880948_000 | computation | Reference Data From Materials Project: {formula:Cd3N2,spaceGroup:Ia3,id:mp-569957} |
| RD_058675612469_000 | computation | Reference Data From Materials Project: {formula:Dy2CdPd2,spaceGroup:P4/mbm,id:mp-12977} |
| RD_059890917058_000 | computation | Reference Data From Materials Project: {formula:GdMgCd2,spaceGroup:Fm-3m,id:mp-865590} |
| RD_060210632758_000 | computation | Reference Data From Materials Project: {formula:Cr2CdH14(NO2)4,spaceGroup:P-1,id:mp-24929} |
| RD_061276705896_000 | computation | Reference Data From Materials Project: {formula:Lu2TlCd,spaceGroup:Fm-3m,id:mp-866133} |
| RD_061796009044_000 | computation | Reference Data From Materials Project: {formula:CeCd,spaceGroup:Pm-3m,id:mp-183} |
| RD_062100518819_000 | computation | Reference Data From Materials Project: {formula:Ca(CdAs)2,spaceGroup:P-3m1,id:mp-7067} |
| RD_062640101462_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570781} |
| RD_063341580947_000 | computation | Reference Data From Materials Project: {formula:Na6CdCl8,spaceGroup:Fm-3m,id:mp-28022} |
| RD_064293061082_000 | computation | Reference Data From Materials Project: {formula:Al22CdO34,spaceGroup:P2_1/m,id:mp-674298} |
| RD_064764627300_000 | computation | Reference Data From Materials Project: {formula:Al2CdS4,spaceGroup:Fd-3m,id:mp-9993} |
| RD_065150272851_000 | computation | Reference Data From Materials Project: {formula:Cd(PO3)2,spaceGroup:Pbca,id:mp-4659} |
| RD_065601541322_000 | computation | Reference Data From Materials Project: {formula:Cd2As2O7,spaceGroup:C2/m,id:mp-10486} |
| RD_066563074401_000 | computation | Reference Data From Materials Project: {formula:MgSc2Cd,spaceGroup:Fm-3m,id:mp-866077} |
| RD_066695466161_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571603} |
| RD_067306330191_000 | computation | Reference Data From Materials Project: {formula:CdCu2,spaceGroup:P6_3/mmc,id:mp-16775} |
| RD_067399123267_000 | computation | Reference Data From Materials Project: {formula:CdAgPd2,spaceGroup:Fm-3m,id:mp-867260} |
| RD_067681266486_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680111} |
| RD_068782135482_000 | computation | Reference Data From Materials Project: {formula:SmMgCd2,spaceGroup:Fm-3m,id:mp-867131} |
| RD_069315293173_000 | computation | Reference Data From Materials Project: {formula:NaCd(PO3)3,spaceGroup:P2_12_12_1,id:mp-15250} |
| RD_069695777638_000 | computation | Reference Data From Materials Project: {formula:CdInBr3,spaceGroup:Pmnb,id:mp-505222} |
| RD_070531797081_000 | computation | Reference Data From Materials Project: {formula:CdInGaS4,spaceGroup:P3m1,id:mp-624929} |
| RD_070537151047_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_071225520242_000 | computation | Reference Data From Materials Project: {formula:CdH20C4S4(NO6)2,spaceGroup:P-1,id:mp-24273} |
| RD_073133324333_000 | computation | Reference Data From Materials Project: {formula:Nb2Cd2O7,spaceGroup:Fd-3m,id:mp-5472} |
| RD_073185079378_000 | computation | Reference Data From Materials Project: {formula:MgCdAu2,spaceGroup:Fm-3m,id:mp-865150} |
| RD_073363449574_000 | computation | Reference Data From Materials Project: {formula:CdB4O7,spaceGroup:Pbca,id:mp-13603} |
| RD_073954030730_000 | computation | Reference Data From Materials Project: {formula:Ac2CdSn,spaceGroup:Fm-3m,id:mp-862319} |
| RD_074924821054_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_075302894134_000 | computation | Reference Data From Materials Project: {formula:V3Cd5P6O25,spaceGroup:C2/c,id:mp-565587} |
| RD_075463328391_000 | computation | AuCd in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_075940010410_000 | computation | Reference Data From Materials Project: {formula:CdH2SeO4,spaceGroup:Pnma,id:mp-697264} |
| RD_075955292431_000 | computation | Reference Data From Materials Project: {formula:Pr6Cd4Pd13,spaceGroup:Im-3m,id:mp-569508} |
| RD_075979799306_000 | computation | Reference Data From Materials Project: {formula:ThCdRh2,spaceGroup:Fm-3m,id:mp-861646} |
| RD_076293658498_000 | computation | Reference Data From Materials Project: {formula:CdCoO3,spaceGroup:C2/c,id:mp-770050} |
| RD_076378996860_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571616} |
| RD_077760291688_000 | computation | Reference Data From Materials Project: {formula:TlCdRh2,spaceGroup:Fm-3m,id:mp-866188} |
| RD_078211538504_000 | computation | Reference Data From Materials Project: {formula:YCdGa,spaceGroup:F-43m,id:mp-961655} |
| RD_078570118318_000 | computation | Reference Data From Materials Project: {formula:HfCdRh2,spaceGroup:Fm-3m,id:mp-865174} |
| RD_078737382017_000 | computation | Reference Data From Materials Project: {formula:Cd(CoO2)2,spaceGroup:Fd-3m,id:mp-771736} |
| RD_079272219488_000 | computation | Reference Data From Materials Project: {formula:Al24Tl10Cd7(SiO4)24,spaceGroup:P1,id:mp-697313} |
| RD_079274673248_000 | computation | Reference Data From Materials Project: {formula:Yb2CdPb,spaceGroup:Fm-3m,id:mp-865648} |
| RD_079658583780_000 | computation | Reference Data From Materials Project: {formula:Tb4CdCo,spaceGroup:F-43m,id:mp-570592} |
| RD_079700228431_000 | computation | Reference Data From Materials Project: {formula:RbCd13,spaceGroup:Fm-3c,id:mp-1040} |
| RD_079709521722_000 | computation | Reference Data From Materials Project: {formula:Cd,spaceGroup:P6_3/mmc,id:mp-94} |
| RD_081280211198_000 | computation | Reference Data From Materials Project: {formula:CdAs2C4SN4(OF6)2,spaceGroup:Pmcn,id:mp-651073} |
| RD_081620863762_000 | computation | Reference Data From Materials Project: {formula:Cd(PO3)2,spaceGroup:C2/c,id:mp-866339} |
| RD_081947427613_000 | computation | Reference Data From Materials Project: {formula:Rb2Be3Cd2F12,spaceGroup:P2_13,id:mp-13614} |
| RD_082631837125_000 | computation | Reference Data From Materials Project: {formula:PrCd2,spaceGroup:P6/mmm,id:mp-2324} |
| RD_082776858066_000 | computation | Reference Data From Materials Project: {formula:Nb2Cd2O7,spaceGroup:Fd-3m,id:mp-647999} |
| RD_083034638263_000 | computation | Reference Data From Materials Project: {formula:CdSb6(S2I)4,spaceGroup:P-1,id:mp-560411} |
| RD_084876832093_000 | computation | Reference Data From Materials Project: {formula:V2Cd6Se5O21,spaceGroup:P2_1/c,id:mp-580503} |
| RD_086003153820_000 | computation | Reference Data From Materials Project: {formula:Cd2Ru2O7,spaceGroup:Fd-3m,id:mp-505552} |
| RD_086118846100_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571583} |
| RD_086855806571_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571595} |
| RD_086904139175_000 | computation | Reference Data From Materials Project: {formula:Tm2CdIn,spaceGroup:Fm-3m,id:mp-865302} |
| RD_087517935004_000 | computation | Reference Data From Materials Project: {formula:YbCdHg2,spaceGroup:Fm-3m,id:mp-865742} |
| RD_087577789797_000 | computation | Reference Data From Materials Project: {formula:SmCdAg2,spaceGroup:Fm-3m,id:mp-867853} |
| RD_087962481722_000 | computation | Reference Data From Materials Project: {formula:CdSnSb2,spaceGroup:I-42d,id:mp-10063} |
| RD_088135284460_000 | computation | Reference Data From Materials Project: {formula:Cd(InS2)2,spaceGroup:Fd-3m,id:mp-559200} |
| RD_088138059796_000 | computation | Reference Data From Materials Project: {formula:RbCdCl3,spaceGroup:Pmnb,id:mp-23390} |
| RD_088281634224_000 | computation | Reference Data From Materials Project: {formula:CaCdHg2,spaceGroup:Fm-3m,id:mp-866104} |
| RD_088970392632_000 | computation | Reference Data From Materials Project: {formula:Be3Cd4Si3TeO12,spaceGroup:P-43n,id:mp-17167} |
| RD_089312219588_000 | computation | Reference Data From Materials Project: {formula:Na2Cd3(P2O7)2,spaceGroup:P-1,id:mp-555851} |
| RD_090259175717_000 | computation | CaCd in AFLOW crystal prototype AB2_oI12_74_e_h. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_090285812615_000 | computation | Reference Data From Materials Project: {formula:Ti4Cd(CuO4)3,spaceGroup:Im3,id:mp-504862} |
| RD_090608526679_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_091343563628_000 | computation | Reference Data From Materials Project: {formula:Pm2CdGe,spaceGroup:Fm-3m,id:mp-862994} |
| RD_092426773299_000 | computation | Reference Data From Materials Project: {formula:CdSnP2,spaceGroup:I-42d,id:mp-5213} |
| RD_093526692678_000 | computation | Reference Data From Materials Project: {formula:Li3Cd,spaceGroup:Fm-3m,id:mp-867343} |
| RD_093680467137_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_093756063467_000 | computation | Reference Data From Materials Project: {formula:Tm2CdS4,spaceGroup:Fd-3m,id:mp-4324} |
| RD_093857979189_000 | computation | CaCd in AFLOW crystal prototype A3B2_tP20_136_dfg_j (Zr3Al2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_094228150397_000 | computation | Reference Data From Materials Project: {formula:CdCO3,spaceGroup:R-3m,id:mp-547864} |
| RD_094690284144_000 | computation | Reference Data From Materials Project: {formula:Na2CdSn,spaceGroup:P6_3/mmc,id:mp-30492} |
| RD_096002573768_000 | computation | Reference Data From Materials Project: {formula:CdO2,spaceGroup:Pa3,id:mp-2310} |
| RD_096058387925_000 | computation | Reference Data From Materials Project: {formula:CdHg2SO6,spaceGroup:P-1,id:mp-560904} |
| RD_096766372512_000 | computation | Reference Data From Materials Project: {formula:Cd2H2SO6,spaceGroup:C2/c,id:mp-634113} |
| RD_097688872464_000 | computation | Reference Data From Materials Project: {formula:EuCd2,spaceGroup:Imma,id:mp-30487} |
| RD_098658234707_000 | computation | Reference Data From Materials Project: {formula:EuCdAu,spaceGroup:Pmnb,id:mp-11084} |
| RD_098894455035_000 | computation | Reference Data From Materials Project: {formula:CdWO4,spaceGroup:P2/c,id:mp-19387} |
| RD_098989153068_000 | computation | Reference Data From Materials Project: {formula:TlCdCl3,spaceGroup:Pmnb,id:mp-28218} |
| RD_099020608779_000 | computation | Reference Data From Materials Project: {formula:CdBiS2Cl,spaceGroup:Pmnb,id:mp-558849} |
| RD_099077404581_000 | computation | Reference Data From Materials Project: {formula:Li2CdPb,spaceGroup:F-43m,id:mp-11304} |
| RD_099273624955_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_100086332206_000 | computation | Reference Data From Materials Project: {formula:Li2MgCd,spaceGroup:Fm-3m,id:mp-866194} |
| RD_101041047062_000 | computation | Reference Data From Materials Project: {formula:SrCd,spaceGroup:Pm-3m,id:mp-30496} |
| RD_101440365680_000 | computation | Reference Data From Materials Project: {formula:K2Cd3Te4,spaceGroup:Pcmn,id:mp-18531} |
| RD_101691972479_000 | computation | Reference Data From Materials Project: {formula:SmCdHg2,spaceGroup:Fm-3m,id:mp-867157} |
| RD_101789409191_000 | computation | Reference Data From Materials Project: {formula:Ba2TlCd,spaceGroup:Fm-3m,id:mp-866292} |
| RD_101925902498_000 | computation | Reference Data From Materials Project: {formula:CdPd3O4,spaceGroup:Pm-3n,id:mp-13675} |
| RD_101945097999_000 | computation | Reference Data From Materials Project: {formula:CdCu2GeS4,spaceGroup:P2_1nm,id:mp-13982} |
| RD_102116941774_000 | computation | Reference Data From Materials Project: {formula:TiCdF6,spaceGroup:R-3,id:mp-623024} |
| RD_103193926463_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_103615746875_000 | computation | Reference Data From Materials Project: {formula:Cr2CdS4,spaceGroup:Fd-3m,id:mp-4338} |
| RD_103794641492_000 | computation | Reference Data From Materials Project: {formula:Cd4Sb2I3,spaceGroup:Pa3,id:mp-29044} |
| RD_105161920404_000 | computation | Reference Data From Materials Project: {formula:CaCdPb,spaceGroup:P-62m,id:mp-623089} |
| RD_105654618649_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_105730319375_000 | computation | Reference Data From Materials Project: {formula:Zr3Cd2,spaceGroup:P4/mmm,id:mp-636095} |
| RD_105733975035_000 | computation | Reference Data From Materials Project: {formula:Cd2Sb2O7,spaceGroup:Imma,id:mp-16281} |
| RD_106678252779_000 | computation | Reference Data From Materials Project: {formula:DyCdPd2,spaceGroup:Fm-3m,id:mp-867276} |
| RD_107576406215_000 | computation | Reference Data From Materials Project: {formula:Cd4P2Cl3,spaceGroup:Pa3,id:mp-29746} |
| RD_107941169329_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_109072785439_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:P3_121,id:mp-1492} |
| RD_109349714695_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570671} |
| RD_110278183659_000 | computation | Reference Data From Materials Project: {formula:Ca3Cd2,spaceGroup:P4_2/mnm,id:mp-18167} |
| RD_110321370596_000 | computation | Reference Data From Materials Project: {formula:DyCdHg2,spaceGroup:Fm-3m,id:mp-864884} |
| RD_110692744486_000 | computation | Reference Data From Materials Project: {formula:Sr5Cd2Sb5F,spaceGroup:Cmcm,id:mp-867155} |
| RD_111142940011_000 | computation | Reference Data From Materials Project: {formula:GdCd3,spaceGroup:P6_3/mmc,id:mp-22138} |
| RD_112843973849_000 | computation | Reference Data From Materials Project: {formula:Ti2CdO6,spaceGroup:P2_1,id:mp-676240} |
| RD_113155777572_000 | computation | Reference Data From Materials Project: {formula:TmCd3,spaceGroup:Ccmm,id:mp-30502} |
| RD_113256498159_000 | computation | Reference Data From Materials Project: {formula:LiCd2Pd,spaceGroup:Fm-3m,id:mp-867196} |
| RD_113565737544_000 | computation | Reference Data From Materials Project: {formula:CdH12C2(NCl2)2,spaceGroup:Cmce,id:mp-698416} |
| RD_114099407622_000 | computation | Reference Data From Materials Project: {formula:GdCdCu,spaceGroup:P-62m,id:mp-21458} |
| RD_114238613776_000 | computation | Reference Data From Materials Project: {formula:TbMgCd2,spaceGroup:Fm-3m,id:mp-862767} |
| RD_118008877410_000 | computation | Reference Data From Materials Project: {formula:NaCd2Pt,spaceGroup:Fm-3m,id:mp-865076} |
| RD_118643542054_000 | computation | Reference Data From Materials Project: {formula:Cd(BiO2)2,spaceGroup:I4_1/amd,id:mp-541433} |
| RD_118824900535_000 | computation | Reference Data From Materials Project: {formula:Sm2CdSe4,spaceGroup:I-42d,id:mp-38125} |
| RD_118887720969_000 | computation | Reference Data From Materials Project: {formula:Ca2TlCd,spaceGroup:Fm-3m,id:mp-867849} |
| RD_119364604044_000 | computation | Reference Data From Materials Project: {formula:CdH3NO5,spaceGroup:Pbca,id:mp-722862} |
| RD_119588982806_000 | computation | Reference Data From Materials Project: {formula:Ca2CdSn,spaceGroup:Fm-3m,id:mp-861940} |
| RD_119660332202_000 | computation | Reference Data From Materials Project: {formula:ScCd,spaceGroup:Pm-3m,id:mp-1211} |
| RD_119705885726_000 | computation | Reference Data From Materials Project: {formula:CeCdAsO,spaceGroup:P4/nmm,id:mp-10316} |
| RD_119711136931_000 | computation | Reference Data From Materials Project: {formula:K2Cr2Cd(H2O5)2,spaceGroup:P-1,id:mp-24928} |
| RD_120172216557_000 | computation | Reference Data From Materials Project: {formula:Ba2CdTe3,spaceGroup:Pmnb,id:mp-16904} |
| RD_120482479598_000 | computation | Reference Data From Materials Project: {formula:Cd3In,spaceGroup:Pm-3m,id:mp-12661} |
| RD_120883324774_000 | computation | Reference Data From Materials Project: {formula:BaV2CdO7,spaceGroup:Pmcn,id:mp-25791} |
| RD_121104546079_000 | computation | Reference Data From Materials Project: {formula:SmCdAu2,spaceGroup:Fm-3m,id:mp-867882} |
| RD_121234938336_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_121327924219_000 | computation | Reference Data From Materials Project: {formula:ErCd,spaceGroup:Pm-3m,id:mp-867} |
| RD_121668514993_000 | computation | Reference Data From Materials Project: {formula:CdS,spaceGroup:F-43m,id:mp-2469} |
| RD_121840684456_000 | computation | Reference Data From Materials Project: {formula:DyCdAg2,spaceGroup:Fm-3m,id:mp-867256} |
| RD_121955785619_000 | computation | Reference Data From Materials Project: {formula:K2CdPb,spaceGroup:C2cm,id:mp-504498} |
| RD_122072161538_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680055} |
| RD_122106718764_000 | computation | Reference Data From Materials Project: {formula:Sr(CdGa)2,spaceGroup:I4/mmm,id:mp-12783} |
| RD_123040289026_000 | computation | Reference Data From Materials Project: {formula:CdHg6(As2Br3)2,spaceGroup:Pa3,id:mp-567910} |
| RD_124225003924_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_125032659678_000 | computation | Reference Data From Materials Project: {formula:CsCdBr3,spaceGroup:Pm-3m,id:mp-570231} |
| RD_125748485454_000 | computation | Reference Data From Materials Project: {formula:Nd2CdIn,spaceGroup:Fm-3m,id:mp-866067} |
| RD_125916788254_000 | computation | Reference Data From Materials Project: {formula:Be2CdP,spaceGroup:Fm-3m,id:mp-631489} |
| RD_126277867419_000 | computation | Reference Data From Materials Project: {formula:YCd3,spaceGroup:Ccmm,id:mp-2349} |
| RD_126943290858_000 | computation | Reference Data From Materials Project: {formula:Sr2CdSn,spaceGroup:Fm-3m,id:mp-867149} |
| RD_126967185363_000 | computation | Reference Data From Materials Project: {formula:Cs2Cd3Te4,spaceGroup:Icma,id:mp-567386} |
| RD_127159858726_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570559} |
| RD_127544100528_000 | computation | Reference Data From Materials Project: {formula:Eu(CdSb)2,spaceGroup:P-3m1,id:mp-19774} |
| RD_127605198337_000 | computation | Reference Data From Materials Project: {formula:CsSmCdSe3,spaceGroup:Cmcm,id:mp-510062} |
| RD_128118401345_000 | computation | Reference Data From Materials Project: {formula:Cd2Si(P2O7)2,spaceGroup:C2/c,id:mp-757428} |
| RD_129144331770_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_129326070329_000 | computation | Reference Data From Materials Project: {formula:CdSnRh2,spaceGroup:Fm-3m,id:mp-861877} |
| RD_129339636153_000 | computation | Reference Data From Materials Project: {formula:CdH24C4(BrN2)6,spaceGroup:P2_1/c,id:mp-707501} |
| RD_129798044397_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570410} |
| RD_130045678205_000 | computation | Reference Data From Materials Project: {formula:CdH6(CO3)2,spaceGroup:P2_1/c,id:mp-24749} |
| RD_130941845958_000 | computation | Reference Data From Materials Project: {formula:LaCdAu,spaceGroup:P-62m,id:mp-542251} |
| RD_130941896976_000 | computation | Reference Data From Materials Project: {formula:LaCd3,spaceGroup:Fm-3m,id:mp-862559} |
| RD_132157266690_000 | computation | Reference Data From Materials Project: {formula:CdHg3C6S6(N3Cl)2,spaceGroup:R3c,id:mp-680331} |
| RD_132363878091_000 | computation | Reference Data From Materials Project: {formula:Tl2Cd2(SO4)3,spaceGroup:P2_13,id:mp-6067} |
| RD_132755418168_000 | computation | Reference Data From Materials Project: {formula:CdPdF6,spaceGroup:R-3,id:mp-13984} |
| RD_133524045596_000 | computation | Reference Data From Materials Project: {formula:Tl3Cd2I7,spaceGroup:Pmcb,id:mp-28432} |
| RD_133658063711_000 | computation | Reference Data From Materials Project: {formula:LiCdAg2,spaceGroup:Fm-3m,id:mp-867872} |
| RD_134033393404_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570082} |
| RD_134255435692_000 | computation | Reference Data From Materials Project: {formula:CdSe,spaceGroup:Fm-3m,id:mp-1055} |
| RD_134423961098_000 | computation | AuCd in AFLOW crystal prototype AB_hP18_157_ab2c_ab2c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_134454922378_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571615} |
| RD_134610296614_000 | computation | Reference Data From Materials Project: {formula:CeCdNi4,spaceGroup:F-43m,id:mp-12006} |
| RD_134669525022_000 | computation | Reference Data From Materials Project: {formula:Cd2Os(CN)6,spaceGroup:P-31m,id:mp-568932} |
| RD_134899785380_000 | computation | Reference Data From Materials Project: {formula:CdNi2H24(ClO2)6,spaceGroup:P3,id:mp-745186} |
| RD_135375400863_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571519} |
| RD_135389495067_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_135501447228_000 | computation | Reference Data From Materials Project: {formula:Cd(FeO2)2,spaceGroup:P3m1,id:mp-705824} |
| RD_135575715291_000 | computation | Reference Data From Materials Project: {formula:Cd2Ru(CN)6,spaceGroup:P-31m,id:mp-568373} |
| RD_136083590812_000 | computation | Reference Data From Materials Project: {formula:TbMgCd2,spaceGroup:Fm-3m,id:mp-862767} |
| RD_136944737448_000 | computation | Reference Data From Materials Project: {formula:CdAg,spaceGroup:Pm-3m,id:mp-2642} |
| RD_138737484690_000 | computation | Reference Data From Materials Project: {formula:EuCd3,spaceGroup:Fm-3m,id:mp-864634} |
| RD_139221516073_000 | computation | Reference Data From Materials Project: {formula:YbCdPd2,spaceGroup:Fm-3m,id:mp-865744} |
| RD_139396782612_000 | computation | Reference Data From Materials Project: {formula:Na4Cd3Se5,spaceGroup:Pmnb,id:mp-28851} |
| RD_139603231071_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571569} |
| RD_139777945589_000 | computation | Reference Data From Materials Project: {formula:Rb4CdBr6,spaceGroup:R-3c,id:mp-28315} |
| RD_139865566409_000 | computation | Reference Data From Materials Project: {formula:CaCdSi,spaceGroup:F-43m,id:mp-962078} |
| RD_140252442175_000 | computation | Reference Data From Materials Project: {formula:YCd2,spaceGroup:P6/mmm,id:mp-1331} |
| RD_140310411117_000 | computation | Reference Data From Materials Project: {formula:CaCdGe,spaceGroup:P-62m,id:mp-16258} |
| RD_141092745360_000 | computation | Reference Data From Materials Project: {formula:ZrCdCu2,spaceGroup:Fm-3m,id:mp-11293} |
| RD_142056273966_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_142241938403_000 | computation | Reference Data From Materials Project: {formula:Sc2CdTc,spaceGroup:Fm-3m,id:mp-862710} |
| RD_143025477531_000 | computation | Reference Data From Materials Project: {formula:CdCl2,spaceGroup:R-3m,id:mp-22881} |
| RD_144189244410_000 | computation | Reference Data From Materials Project: {formula:CdCl2,spaceGroup:C2/m,id:mp-695850} |
| RD_144197152489_000 | computation | Reference Data From Materials Project: {formula:Na2Cd2O3,spaceGroup:P2_1/c,id:mp-761024} |
| RD_144395419258_000 | computation | Reference Data From Materials Project: {formula:CdH8C2NCl3,spaceGroup:P2_1/c,id:mp-570587} |
| RD_144643426819_000 | computation | Reference Data From Materials Project: {formula:NaCd4(PO4)3,spaceGroup:Pnam,id:mp-13718} |
| RD_146272788570_000 | computation | Reference Data From Materials Project: {formula:Sc2CdS4,spaceGroup:Fd-3m,id:mp-10953} |
| RD_147155128369_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_147634104913_000 | computation | Reference Data From Materials Project: {formula:CdHgAsBr,spaceGroup:Pmmb,id:mp-569454} |
| RD_148497592933_000 | computation | Reference Data From Materials Project: {formula:Cd4GeSe6,spaceGroup:Cc,id:mp-18163} |
| RD_148634586633_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567442} |
| RD_149066190909_000 | computation | Reference Data From Materials Project: {formula:CdCuSb,spaceGroup:F-43m,id:mp-568800} |
| RD_149175208607_000 | computation | Reference Data From Materials Project: {formula:CdCu2,spaceGroup:P6_3/mmc,id:mp-16775} |
| RD_149197593689_000 | computation | Reference Data From Materials Project: {formula:CaCdO2,spaceGroup:P4/mmm,id:mp-753287} |
| RD_149290407708_000 | computation | Reference Data From Materials Project: {formula:CaNdCd2,spaceGroup:Fm-3m,id:mp-867224} |
| RD_149482880277_000 | computation | Reference Data From Materials Project: {formula:Na2CdSnS4,spaceGroup:C2,id:mp-561075} |
| RD_151116333045_000 | computation | Reference Data From Materials Project: {formula:CeCd2Ag,spaceGroup:Fm-3m,id:mp-31173} |
| RD_151266935732_000 | computation | Reference Data From Materials Project: {formula:Cd(BO2)2,spaceGroup:Pna2_1,id:mp-780395} |
| RD_152027360254_000 | computation | Reference Data From Materials Project: {formula:YCdAg2,spaceGroup:Fm-3m,id:mp-865503} |
| RD_152510501891_000 | computation | Reference Data From Materials Project: {formula:PmCaCd2,spaceGroup:Fm-3m,id:mp-862881} |
| RD_152796480481_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:R-3m,id:mp-573608} |
| RD_152855908025_000 | computation | Reference Data From Materials Project: {formula:Cd3In,spaceGroup:Pm-3m,id:mp-12661} |
| RD_154574959178_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:R-3m,id:mp-573588} |
| RD_155261682717_000 | computation | Reference Data From Materials Project: {formula:LiCdAg2,spaceGroup:Fm-3m,id:mp-867872} |
| RD_155332826525_000 | computation | Reference Data From Materials Project: {formula:MgCd3,spaceGroup:P6_3/mmc,id:mp-30491} |
| RD_156145294034_000 | computation | Reference Data From Materials Project: {formula:Sr2TlCd,spaceGroup:Fm-3m,id:mp-862740} |
| RD_156267701025_000 | computation | Reference Data From Materials Project: {formula:CdGeO3,spaceGroup:I4_1/a,id:mp-7588} |
| RD_157456026878_000 | computation | Reference Data From Materials Project: {formula:CaNdCd2,spaceGroup:Fm-3m,id:mp-867224} |
| RD_157482359149_000 | computation | Reference Data From Materials Project: {formula:MnCdF5,spaceGroup:C2/c,id:mp-556506} |
| RD_157611025417_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_157643109546_000 | computation | Reference Data From Materials Project: {formula:Ba2Cd,spaceGroup:I4/mmm,id:mp-8093} |
| RD_157868725177_000 | computation | Reference Data From Materials Project: {formula:SrCdHg2,spaceGroup:Fm-3m,id:mp-867179} |
| RD_158067666931_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570781} |
| RD_158107408663_000 | computation | Reference Data From Materials Project: {formula:CdInGaS4,spaceGroup:P-3m1,id:mp-630773} |
| RD_158365448669_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571539} |
| RD_160789636300_000 | computation | Reference Data From Materials Project: {formula:La2CdS4,spaceGroup:I-42d,id:mp-36395} |
| RD_161472570268_000 | computation | Reference Data From Materials Project: {formula:ZrCdCu2,spaceGroup:Fm-3m,id:mp-11293} |
| RD_161567706116_000 | computation | Reference Data From Materials Project: {formula:UCdO4,spaceGroup:R-3m,id:mp-14000} |
| RD_161967080683_000 | computation | Reference Data From Materials Project: {formula:PmCdAu2,spaceGroup:Fm-3m,id:mp-862891} |
| RD_162575861261_000 | computation | Reference Data From Materials Project: {formula:CdP2Xe5F22,spaceGroup:P2_1nb,id:mp-556171} |
| RD_162909365662_000 | computation | Reference Data From Materials Project: {formula:RbCdC3(SN)3,spaceGroup:P2_1/c,id:mp-540654} |
| RD_163610890897_000 | computation | Reference Data From Materials Project: {formula:Cd4Bi2O7,spaceGroup:P1,id:mp-685907} |
| RD_163832324076_000 | computation | Reference Data From Materials Project: {formula:CdPS3,spaceGroup:C2/m,id:mp-5328} |
| RD_164886434314_000 | computation | Reference Data From Materials Project: {formula:Tl4CdI6,spaceGroup:P4/mnc,id:mp-570339} |
| RD_166300614537_000 | computation | Reference Data From Materials Project: {formula:PuCdRh2,spaceGroup:Fm-3m,id:mp-862738} |
| RD_166693476278_000 | computation | Reference Data From Materials Project: {formula:CeCd3,spaceGroup:Fm-3m,id:mp-2863} |
| RD_167961414592_000 | computation | Reference Data From Materials Project: {formula:GdCd3,spaceGroup:P6_3/mmc,id:mp-22138} |
| RD_168573229440_000 | computation | Reference Data From Materials Project: {formula:Cd4P2I3,spaceGroup:Pcab,id:mp-568545} |
| RD_168724989628_000 | computation | Reference Data From Materials Project: {formula:Cd4SiS6,spaceGroup:Cc,id:mp-18179} |
| RD_170526366512_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_171897225403_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:F-43m,id:mp-406} |
| RD_172064414470_000 | computation | Reference Data From Materials Project: {formula:Cd18Sn19O56,spaceGroup:P1,id:mp-685363} |
| RD_172414070374_000 | computation | Reference Data From Materials Project: {formula:SrCdSi,spaceGroup:F-43m,id:mp-962076} |
| RD_173022766138_000 | computation | Reference Data From Materials Project: {formula:CdH8C2Br3N,spaceGroup:P2_1/c,id:mp-600182} |
| RD_173534124086_000 | computation | Reference Data From Materials Project: {formula:Ba2CdSe3,spaceGroup:Pmnb,id:mp-16870} |
| RD_173696198606_000 | computation | Reference Data From Materials Project: {formula:Al2CdO4,spaceGroup:Fd-3m,id:mp-36866} |
| RD_173856550906_000 | computation | Reference Data From Materials Project: {formula:CdPd3O4,spaceGroup:Pm-3n,id:mp-13675} |
| RD_174077883025_000 | computation | Reference Data From Materials Project: {formula:TbCd2F8,spaceGroup:I-4,id:mp-29201} |
| RD_174330949143_000 | computation | Reference Data From Materials Project: {formula:CaLaCd2,spaceGroup:Fm-3m,id:mp-866000} |
| RD_174452679530_000 | computation | Reference Data From Materials Project: {formula:Tb4CdCo,spaceGroup:F-43m,id:mp-570592} |
| RD_174702402691_000 | computation | Reference Data From Materials Project: {formula:Tb6CdS10,spaceGroup:P1,id:mp-530870} |
| RD_174894351876_000 | computation | Reference Data From Materials Project: {formula:Al2CdCl8,spaceGroup:Pc,id:mp-28361} |
| RD_175444184421_000 | computation | AuCd in AFLOW crystal prototype AB_oP4_51_e_f (beta'-AuCd). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_175448459406_000 | computation | Reference Data From Materials Project: {formula:K23Na8(CdIn4)12,spaceGroup:P6/mmm,id:mp-633668} |
| RD_177026407629_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570019} |
| RD_177406451127_000 | computation | Reference Data From Materials Project: {formula:CdF2,spaceGroup:Fm-3m,id:mp-241} |
| RD_177728865222_000 | computation | Reference Data From Materials Project: {formula:KCd13,spaceGroup:Fm-3c,id:mp-397} |
| RD_177935991995_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:P6_3/mmc,id:mp-865144} |
| RD_178796051950_000 | computation | Reference Data From Materials Project: {formula:LuCd,spaceGroup:Pm-3m,id:mp-2217} |
| RD_179351463532_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-669326} |
| RD_179507195336_000 | computation | Reference Data From Materials Project: {formula:CdS,spaceGroup:P6_3mc,id:mp-672} |
| RD_179705763611_000 | computation | Reference Data From Materials Project: {formula:CdHgC4(SN)4,spaceGroup:I-4,id:mp-556367} |
| RD_180356972336_000 | computation | Reference Data From Materials Project: {formula:Ca2CdSb2,spaceGroup:Pmnb,id:mp-569267} |
| RD_180767788530_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-627557} |
| RD_180775754065_000 | computation | Reference Data From Materials Project: {formula:HoCdAg2,spaceGroup:Fm-3m,id:mp-864904} |
| RD_180931344494_000 | computation | Reference Data From Materials Project: {formula:KCdP3H8O13,spaceGroup:P-1,id:mp-734377} |
| RD_180950748301_000 | computation | Reference Data From Materials Project: {formula:CaCdSn,spaceGroup:P-62m,id:mp-568695} |
| RD_181559967023_000 | computation | Reference Data From Materials Project: {formula:LaMgCd2,spaceGroup:Fm-3m,id:mp-867848} |
| RD_182404451375_000 | computation | Reference Data From Materials Project: {formula:Cd(HO)2,spaceGroup:C2,id:mp-625565} |
| RD_183647559058_000 | computation | Reference Data From Materials Project: {formula:Dy2CdSe4,spaceGroup:Fd-3m,id:mp-570959} |
| RD_183690768860_000 | computation | Reference Data From Materials Project: {formula:GdTiCdSbO7,spaceGroup:P4_122,id:mp-39684} |
| RD_184051426040_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_184205500922_000 | computation | Reference Data From Materials Project: {formula:TiCdO3,spaceGroup:Pb2_1m,id:mp-20940} |
| RD_184278194009_000 | computation | Reference Data From Materials Project: {formula:Sr(CdGe)2,spaceGroup:I4/mmm,id:mp-7881} |
| RD_184298093539_000 | computation | Reference Data From Materials Project: {formula:CdGe2O5,spaceGroup:P-1,id:mp-7762} |
| RD_184531936228_000 | computation | Reference Data From Materials Project: {formula:Pr2TlCd,spaceGroup:Fm-3m,id:mp-861594} |
| RD_184842193624_000 | computation | Reference Data From Materials Project: {formula:Nd23Cd4Rh7,spaceGroup:P6_3mc,id:mp-567916} |
| RD_184962626868_000 | computation | Reference Data From Materials Project: {formula:CdN6,spaceGroup:Pcab,id:mp-570471} |
| RD_186011313052_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567534} |
| RD_186633004767_000 | computation | Reference Data From Materials Project: {formula:Cd(BO2)2,spaceGroup:R3c,id:mp-780282} |
| RD_188683551329_000 | computation | Reference Data From Materials Project: {formula:Gd2CdSe4,spaceGroup:I-42d,id:mp-677132} |
| RD_189244797403_000 | computation | Reference Data From Materials Project: {formula:LuCdPd2,spaceGroup:Fm-3m,id:mp-866207} |
| RD_189581301705_000 | computation | Reference Data From Materials Project: {formula:Nb2Cd2O7,spaceGroup:Fd-3m,id:mp-5472} |
| RD_189769920880_000 | computation | Reference Data From Materials Project: {formula:Cd2Fe(CN)6,spaceGroup:P-31m,id:mp-570514} |
| RD_189979763250_000 | computation | Reference Data From Materials Project: {formula:CdInGaS4,spaceGroup:P3m1,id:mp-624929} |
| RD_190352188016_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680114} |
| RD_190667295015_000 | computation | Reference Data From Materials Project: {formula:Al6Cd4SO12,spaceGroup:I-43m,id:mp-9203} |
| RD_190798097304_000 | computation | Reference Data From Materials Project: {formula:CdSO3,spaceGroup:R-3,id:mp-18634} |
| RD_191419621484_000 | computation | Reference Data From Materials Project: {formula:Sm11Cd45,spaceGroup:F-43m,id:mp-567122} |
| RD_191772872577_000 | computation | Reference Data From Materials Project: {formula:RbCdAg3(CN)6,spaceGroup:P312,id:mp-568978} |
| RD_192245567151_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_192820738575_000 | computation | Reference Data From Materials Project: {formula:CdSO3,spaceGroup:P2_1/c,id:mp-556680} |
| RD_193067272793_000 | computation | Reference Data From Materials Project: {formula:CdSiO3,spaceGroup:Pbcn,id:mp-776023} |
| RD_193406694890_000 | computation | Reference Data From Materials Project: {formula:SrCd2H16(Br3O4)2,spaceGroup:P2_12_12,id:mp-761745} |
| RD_194223695313_000 | computation | Reference Data From Materials Project: {formula:CsCdCl3,spaceGroup:Pm-3m,id:mp-568544} |
| RD_194859035037_000 | computation | Reference Data From Materials Project: {formula:Cd2PO4F,spaceGroup:C2/c,id:mp-557910} |
| RD_194963543624_000 | computation | Reference Data From Materials Project: {formula:Cd27Pd8,spaceGroup:Cmc2_1,id:mp-607960} |
| RD_195570083249_000 | computation | Reference Data From Materials Project: {formula:Ti2Cd,spaceGroup:I4/mmm,id:mp-30501} |
| RD_196053330898_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_197036396569_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570472} |
| RD_198216611817_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:Fm-3m,id:mp-2388} |
| RD_198535582801_000 | computation | Reference Data From Materials Project: {formula:La2Cd17,spaceGroup:P6_3/mmc,id:mp-30489} |
| RD_199461808328_000 | computation | Reference Data From Materials Project: {formula:Pr2CdCu2,spaceGroup:C2/m,id:mp-861595} |
| RD_200893243106_000 | computation | Reference Data From Materials Project: {formula:LaCdAg2,spaceGroup:Fm-3m,id:mp-867225} |
| RD_202452454470_000 | computation | Reference Data From Materials Project: {formula:Cd2AsCl2,spaceGroup:P2_1/c,id:mp-27776} |
| RD_202881094780_000 | computation | Reference Data From Materials Project: {formula:ZnCdC4(SeN)4,spaceGroup:I-4,id:mp-542942} |
| RD_202898519153_000 | computation | Reference Data From Materials Project: {formula:PmCdPt2,spaceGroup:Fm-3m,id:mp-862897} |
| RD_202966815470_000 | computation | Reference Data From Materials Project: {formula:CdHg2SeO6,spaceGroup:P-1,id:mp-556369} |
| RD_203260155688_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_204162041860_000 | computation | Reference Data From Materials Project: {formula:LiCdAu2,spaceGroup:Fm-3m,id:mp-867877} |
| RD_204834939396_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567567} |
| RD_205328789184_000 | computation | Reference Data From Materials Project: {formula:Li2CdPd,spaceGroup:Fm-3m,id:mp-865582} |
| RD_205638777131_000 | computation | Reference Data From Materials Project: {formula:CsCd13,spaceGroup:Fm-3c,id:mp-1713} |
| RD_206517361070_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680055} |
| RD_206782305032_000 | computation | Reference Data From Materials Project: {formula:Na2CdH4(SeO5)2,spaceGroup:P2_1/c,id:mp-697888} |
| RD_206824913690_000 | computation | AuCd in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_206999046325_000 | computation | AuCd in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_208083955856_000 | computation | Reference Data From Materials Project: {formula:CdH6(SO4)4,spaceGroup:P2_1/c,id:mp-707251} |
| RD_208668882094_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_210050671286_000 | computation | Reference Data From Materials Project: {formula:Cd8Ag5,spaceGroup:I-43m,id:mp-567857} |
| RD_210921354805_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571136} |
| RD_211112539616_000 | computation | Reference Data From Materials Project: {formula:PmZn2Cd,spaceGroup:Fm-3m,id:mp-862975} |
| RD_211505404629_000 | computation | Reference Data From Materials Project: {formula:YbCdAu2,spaceGroup:Fm-3m,id:mp-865740} |
| RD_211729398273_000 | computation | Reference Data From Materials Project: {formula:TbCd3,spaceGroup:P6_3/mmc,id:mp-30498} |
| RD_212433738744_000 | computation | Reference Data From Materials Project: {formula:BaCdGe,spaceGroup:P6_3/mmc,id:mp-11816} |
| RD_213446565689_000 | computation | Reference Data From Materials Project: {formula:SrCdHg2,spaceGroup:Fm-3m,id:mp-867179} |
| RD_213696741732_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_213819702336_000 | computation | Reference Data From Materials Project: {formula:Cd5Cu2,spaceGroup:P6_3/mmc,id:mp-30696} |
| RD_215541618906_000 | computation | Reference Data From Materials Project: {formula:Al2Cd3(SiO4)3,spaceGroup:Ia-3d,id:mp-14047} |
| RD_215598256182_000 | computation | Reference Data From Materials Project: {formula:Rb4CdCl6,spaceGroup:R-3c,id:mp-22930} |
| RD_215632305142_000 | computation | Reference Data From Materials Project: {formula:Cd10As6HClO25,spaceGroup:P2_1,id:mp-690912} |
| RD_216086130876_000 | computation | Reference Data From Materials Project: {formula:YbMgCd2,spaceGroup:Fm-3m,id:mp-865661} |
| RD_216108566123_000 | computation | Reference Data From Materials Project: {formula:GdCdCu,spaceGroup:P-62m,id:mp-21458} |
| RD_216192364670_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:F-43m,id:mp-406} |
| RD_216311176638_000 | computation | Reference Data From Materials Project: {formula:Dy2CdSe4,spaceGroup:Fd-3m,id:mp-570959} |
| RD_216959425950_000 | computation | Reference Data From Materials Project: {formula:ScCd7,spaceGroup:Ccmm,id:mp-31502} |
| RD_218111918221_000 | computation | Reference Data From Materials Project: {formula:Er2TlCd,spaceGroup:Fm-3m,id:mp-861628} |
| RD_218640800962_000 | computation | Reference Data From Materials Project: {formula:CsYCdSe3,spaceGroup:Cmcm,id:mp-11116} |
| RD_219452829641_000 | computation | Reference Data From Materials Project: {formula:CdTe,spaceGroup:F-43m,id:mp-406} |
| RD_219625039450_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_220001428830_000 | computation | Reference Data From Materials Project: {formula:LaCdAg2,spaceGroup:Fm-3m,id:mp-867225} |
| RD_220490942932_000 | computation | Reference Data From Materials Project: {formula:KCd2H8C10N15O4,spaceGroup:P1,id:mp-720519} |
| RD_220574957701_000 | computation | Reference Data From Materials Project: {formula:Ho2CdSe4,spaceGroup:R3m,id:mp-531201} |
| RD_220832000052_000 | computation | Reference Data From Materials Project: {formula:EuCdHg2,spaceGroup:Fm-3m,id:mp-864796} |
| RD_220981258260_000 | computation | Reference Data From Materials Project: {formula:CdCuSb,spaceGroup:F-43m,id:mp-10685} |
| RD_221286423728_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_221295140978_000 | computation | Reference Data From Materials Project: {formula:K4CdP2,spaceGroup:R-3m,id:mp-28302} |
| RD_221814300466_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P6_3mc,id:mp-28248} |
| RD_221873246318_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571605} |
| RD_222018600342_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P-3m1,id:mp-567483} |
| RD_222542925420_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-624399} |
| RD_223138907868_000 | computation | Reference Data From Materials Project: {formula:CdO,spaceGroup:P6_3mc,id:mp-13119} |
| RD_223450372911_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571603} |
| RD_224886314198_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570410} |
| RD_224930086162_000 | computation | Reference Data From Materials Project: {formula:LaCd2,spaceGroup:P6/mmm,id:mp-12055} |
| RD_225009396774_000 | computation | Reference Data From Materials Project: {formula:RbCdBr3,spaceGroup:Pmnb,id:mp-27400} |
| RD_225769210412_000 | computation | Reference Data From Materials Project: {formula:CaCdPd2,spaceGroup:Fm-3m,id:mp-866279} |
| RD_226482721675_000 | computation | Reference Data From Materials Project: {formula:Cd4Te6Cl6O13,spaceGroup:P-1,id:mp-558759} |
| RD_227821834899_000 | computation | Reference Data From Materials Project: {formula:CdSeO4,spaceGroup:Pbnm,id:mp-779156} |
| RD_228145214106_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-583753} |
| RD_229090264493_000 | computation | Reference Data From Materials Project: {formula:PrCdHg2,spaceGroup:Fm-3m,id:mp-867177} |
| RD_231763986597_000 | computation | Reference Data From Materials Project: {formula:Be2CdP,spaceGroup:Fm-3m,id:mp-631489} |
| RD_231811271481_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-569964} |
| RD_232718242612_000 | computation | Reference Data From Materials Project: {formula:TbCd,spaceGroup:Pm-3m,id:mp-721} |
| RD_232803995465_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571514} |
| RD_233151277847_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_233191586825_000 | computation | Reference Data From Materials Project: {formula:CdBr2,spaceGroup:P6_3mc,id:mp-27934} |
| RD_234008769695_000 | computation | Reference Data From Materials Project: {formula:CdHClO,spaceGroup:P6_3mc,id:mp-644222} |
| RD_234124040925_000 | computation | Reference Data From Materials Project: {formula:ThCdAu2,spaceGroup:Fm-3m,id:mp-867353} |
| RD_234872749963_000 | computation | Reference Data From Materials Project: {formula:KCd6P7O24,spaceGroup:P2_1/m,id:mp-16382} |
| RD_236728237171_000 | computation | Reference Data From Materials Project: {formula:MgCdAg2,spaceGroup:Fm-3m,id:mp-30727} |
| RD_236958075796_000 | computation | Reference Data From Materials Project: {formula:NaCd3,spaceGroup:Fm-3m,id:mp-865077} |
| RD_237002541114_000 | computation | Reference Data From Materials Project: {formula:Cd(InSe2)2,spaceGroup:I-42m,id:mp-568661} |
| RD_237502398772_000 | computation | Reference Data From Materials Project: {formula:LaMgCd2,spaceGroup:Fm-3m,id:mp-867848} |
| RD_237922272241_000 | computation | Reference Data From Materials Project: {formula:KCdCl3,spaceGroup:Pmnb,id:mp-23442} |
| RD_238383136946_000 | computation | Reference Data From Materials Project: {formula:CaCd2,spaceGroup:P6_3/mmc,id:mp-1078} |
| RD_238393149046_000 | computation | Reference Data From Materials Project: {formula:Rb10Al24Cd7(SiO4)24,spaceGroup:P1,id:mp-707302} |
| RD_239076867378_000 | computation | Reference Data From Materials Project: {formula:Sm11Cd45,spaceGroup:F-43m,id:mp-567122} |
| RD_239540640693_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_240590194362_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:R-3m,id:mp-568289} |
| RD_241010900989_000 | computation | Reference Data From Materials Project: {formula:Cd3SiO5,spaceGroup:P4/nmm,id:mp-13820} |
| RD_241476566483_000 | computation | Reference Data From Materials Project: {formula:Sc2CdIn,spaceGroup:Fm-3m,id:mp-862711} |
| RD_242372600449_000 | computation | Reference Data From Materials Project: {formula:Cd3As2,spaceGroup:Pn-3m,id:mp-10762} |
| RD_242670141019_000 | computation | Reference Data From Materials Project: {formula:HoCdPd2,spaceGroup:Fm-3m,id:mp-864760} |
| RD_242867461407_000 | computation | Reference Data From Materials Project: {formula:K6CdPb8,spaceGroup:C2/m,id:mp-680480} |
| RD_243056473764_000 | computation | Reference Data From Materials Project: {formula:YbTiCdSbO7,spaceGroup:P4_122,id:mp-677151} |
| RD_243181732794_000 | computation | Reference Data From Materials Project: {formula:CaSmCd2,spaceGroup:Fm-3m,id:mp-864620} |
| RD_243793928640_000 | computation | Reference Data From Materials Project: {formula:K2Cd2(SO4)3,spaceGroup:P2_13,id:mp-6276} |
| RD_244115980808_000 | computation | Reference Data From Materials Project: {formula:Sr2CdSn,spaceGroup:Fm-3m,id:mp-867149} |
| RD_244208734949_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571519} |
| RD_244829355892_000 | computation | Reference Data From Materials Project: {formula:Pm2TlCd,spaceGroup:Fm-3m,id:mp-864629} |
| RD_245076635436_000 | computation | Reference Data From Materials Project: {formula:MgCdAg2,spaceGroup:Fm-3m,id:mp-30727} |
| RD_245621434533_000 | computation | Reference Data From Materials Project: {formula:CdBiSe2Br,spaceGroup:Pmnb,id:mp-570590} |
| RD_245833075660_000 | computation | Reference Data From Materials Project: {formula:Cd(NO3)2,spaceGroup:Pb2_1a,id:mp-27198} |
| RD_246231402891_000 | computation | Reference Data From Materials Project: {formula:CdP2(HO2)4,spaceGroup:R-3,id:mp-706405} |
| RD_247234496630_000 | computation | Reference Data From Materials Project: {formula:BaCdO2,spaceGroup:Pmnb,id:mp-7899} |
| RD_247394388837_000 | computation | Reference Data From Materials Project: {formula:Li2CdPb,spaceGroup:Fm-3m,id:mp-11305} |
| RD_247537853558_000 | computation | Reference Data From Materials Project: {formula:MgCd3,spaceGroup:P6_3/mmc,id:mp-30491} |
| RD_248270994016_000 | computation | Reference Data From Materials Project: {formula:UCdO4,spaceGroup:Cmmm,id:mp-545598} |
| RD_248389988808_000 | computation | Reference Data From Materials Project: {formula:CeCdAg2,spaceGroup:Fm-3m,id:mp-865552} |
| RD_248434782265_000 | computation | Reference Data From Materials Project: {formula:Cs2CdI4,spaceGroup:Pmnb,id:mp-568134} |
| RD_248712442739_000 | computation | Reference Data From Materials Project: {formula:LiCd3,spaceGroup:P6_3/mmc,id:mp-865612} |
| RD_248913742774_000 | computation | Reference Data From Materials Project: {formula:Tm2CdSe4,spaceGroup:Fd-3m,id:mp-14620} |
| RD_248949411110_000 | computation | Reference Data From Materials Project: {formula:CeCd2Ag,spaceGroup:Fm-3m,id:mp-31173} |
| RD_248966366117_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570882} |
| RD_249237221120_000 | computation | Reference Data From Materials Project: {formula:TlCdS2,spaceGroup:P-3m1,id:mp-7708} |
| RD_249384802296_000 | computation | Reference Data From Materials Project: {formula:HoCdPd2,spaceGroup:Fm-3m,id:mp-864760} |
| RD_249418208430_000 | computation | Reference Data From Materials Project: {formula:YCdAg2,spaceGroup:Fm-3m,id:mp-865503} |
| RD_250155178117_000 | computation | Reference Data From Materials Project: {formula:CdS,spaceGroup:F-43m,id:mp-2469} |
| RD_251001180183_000 | computation | Reference Data From Materials Project: {formula:CdTeO3,spaceGroup:P2_1/c,id:mp-28290} |
| RD_251506193392_000 | computation | Reference Data From Materials Project: {formula:ErCd2,spaceGroup:P6/mmm,id:mp-11296} |
| RD_253649497519_000 | computation | Reference Data From Materials Project: {formula:YCd,spaceGroup:Pm-3m,id:mp-915} |
| RD_253674105691_000 | computation | Reference Data From Materials Project: {formula:Y2CdS4,spaceGroup:Fd-3m,id:mp-35785} |
| RD_255848447713_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-624418} |
| RD_256356696732_000 | computation | Reference Data From Materials Project: {formula:CdSe,spaceGroup:F-43m,id:mp-2691} |
| RD_257913586329_000 | computation | Reference Data From Materials Project: {formula:ZrBeCd,spaceGroup:F-43m,id:mp-631509} |
| RD_259226137356_000 | computation | Reference Data From Materials Project: {formula:Cd2AgAu,spaceGroup:Fm-3m,id:mp-31170} |
| RD_259743445399_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-680094} |
| RD_260371052131_000 | computation | Reference Data From Materials Project: {formula:YbCd3,spaceGroup:Fm-3m,id:mp-865366} |
| RD_260772222648_000 | computation | Reference Data From Materials Project: {formula:Cd(GaO2)2,spaceGroup:Fd-3m,id:mp-3443} |
| RD_261720370608_000 | computation | Reference Data From Materials Project: {formula:ScCd,spaceGroup:Pm-3m,id:mp-1211} |
| RD_261922957323_000 | computation | Reference Data From Materials Project: {formula:LiCdAu2,spaceGroup:Fm-3m,id:mp-867877} |
| RD_262107011577_000 | computation | Reference Data From Materials Project: {formula:ThCdPt2,spaceGroup:Fm-3m,id:mp-861644} |
| RD_263570093609_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:Pm-3m,id:mp-2757} |
| RD_264109322715_000 | computation | Reference Data From Materials Project: {formula:DyCdAu2,spaceGroup:Fm-3m,id:mp-867827} |
| RD_264366633567_000 | computation | Reference Data From Materials Project: {formula:Lu2TlCd,spaceGroup:Fm-3m,id:mp-866133} |
| RD_264691128088_000 | computation | Reference Data From Materials Project: {formula:CdO2,spaceGroup:Pa3,id:mp-2310} |
| RD_264769486879_000 | computation | Reference Data From Materials Project: {formula:LiCa2Cd,spaceGroup:Fm-3m,id:mp-867803} |
| RD_265467465270_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_265733692506_000 | computation | Reference Data From Materials Project: {formula:TmCdPd2,spaceGroup:Fm-3m,id:mp-865982} |
| RD_266364117315_000 | computation | Reference Data From Materials Project: {formula:CdH9C2(N2O5)2,spaceGroup:P2_12_12_1,id:mp-698468} |
| RD_267014487612_000 | computation | Reference Data From Materials Project: {formula:Hf3Cd3AgF20,spaceGroup:P6_3/m,id:mp-554342} |
| RD_267240899258_000 | computation | Reference Data From Materials Project: {formula:Cd(HO)2,spaceGroup:Cm,id:mp-28508} |
| RD_267393658974_000 | computation | Reference Data From Materials Project: {formula:V2CdO6,spaceGroup:Pnab,id:mp-565502} |
| RD_268229196742_000 | computation | Reference Data From Materials Project: {formula:Pm2CdGe,spaceGroup:Fm-3m,id:mp-862994} |
| RD_268742782945_000 | computation | Reference Data From Materials Project: {formula:Ba3(CdSb2)2,spaceGroup:C2/m,id:mp-571069} |
| RD_268879042129_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_269039251628_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_269732898957_000 | computation | Reference Data From Materials Project: {formula:Li2CdSb,spaceGroup:Fm-3m,id:mp-16271} |
| RD_270220426324_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_270636197213_000 | computation | Reference Data From Materials Project: {formula:Cd7(P2Cl3)2,spaceGroup:Pa3,id:mp-23476} |
| RD_271417994222_000 | computation | Reference Data From Materials Project: {formula:KCdF3,spaceGroup:Pm-3m,id:mp-10175} |
| RD_271965396762_000 | computation | Reference Data From Materials Project: {formula:Ho2CdSe4,spaceGroup:Fd-3m,id:mp-4284} |
| RD_272030742887_000 | computation | Reference Data From Materials Project: {formula:Dy4CdCo,spaceGroup:F-43m,id:mp-571376} |
| RD_272242125355_000 | computation | Reference Data From Materials Project: {formula:Cd6Sb5,spaceGroup:R-3c,id:mp-669510} |
| RD_272269036347_000 | computation | Reference Data From Materials Project: {formula:CdO2,spaceGroup:Pa3,id:mp-2310} |
| RD_272450628724_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_273022531537_000 | computation | Reference Data From Materials Project: {formula:CdGeP2,spaceGroup:Fm-3m,id:mp-16268} |
| RD_274173127130_000 | computation | Reference Data From Materials Project: {formula:TlCdSb,spaceGroup:Pmnb,id:mp-7379} |
| RD_275465154301_000 | computation | Reference Data From Materials Project: {formula:Ca2CdSn,spaceGroup:Fm-3m,id:mp-861940} |
| RD_275661135717_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-624399} |
| RD_275823592688_000 | computation | Reference Data From Materials Project: {formula:Cd(HO)2,spaceGroup:P-3m1,id:mp-625548} |
| RD_276748544277_000 | computation | Reference Data From Materials Project: {formula:CdB2F8,spaceGroup:Pcab,id:mp-557364} |
| RD_277233960513_000 | computation | Reference Data From Materials Project: {formula:CdGePH3O7,spaceGroup:P1,id:mp-695422} |
| RD_277357221454_000 | computation | Reference Data From Materials Project: {formula:CeCd2,spaceGroup:P-3m1,id:mp-622107} |
| RD_277643927683_000 | computation | Reference Data From Materials Project: {formula:BaCdGaF7,spaceGroup:C2/c,id:mp-621924} |
| RD_277700278950_000 | computation | Reference Data From Materials Project: {formula:Ba2TlCd,spaceGroup:Fm-3m,id:mp-866292} |
| RD_278351562426_000 | computation | Reference Data From Materials Project: {formula:CdCN2,spaceGroup:R3m,id:mp-621694} |
| RD_278415261810_000 | computation | Reference Data From Materials Project: {formula:PrCdPd,spaceGroup:P-62m,id:mp-571641} |
| RD_278692362961_000 | computation | Reference Data From Materials Project: {formula:SmCd2,spaceGroup:P6/mmm,id:mp-30495} |
| RD_278730431683_000 | computation | Reference Data From Materials Project: {formula:Cd5Cu2,spaceGroup:P6_3/mmc,id:mp-30696} |
| RD_278841553346_000 | computation | Reference Data From Materials Project: {formula:Ti4Cd(CuO4)3,spaceGroup:Im3,id:mp-504862} |
| RD_279517875520_000 | computation | Reference Data From Materials Project: {formula:NaTl2Cd,spaceGroup:Fm-3m,id:mp-865127} |
| RD_279520857078_000 | computation | Reference Data From Materials Project: {formula:Ho4CdRh,spaceGroup:F-43m,id:mp-569478} |
| RD_279840178144_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_281037513894_000 | computation | Reference Data From Materials Project: {formula:Cs7Cd3Br13,spaceGroup:I4/mcm,id:mp-667295} |
| RD_281153836330_000 | computation | Reference Data From Materials Project: {formula:TbCd2,spaceGroup:P6/mmm,id:mp-30497} |
| RD_283202972960_000 | computation | Reference Data From Materials Project: {formula:SrCdP2O7,spaceGroup:P2_1/c,id:mp-17693} |
| RD_283208394678_000 | computation | Reference Data From Materials Project: {formula:Ho2CdS4,spaceGroup:Fd-3m,id:mp-6942} |
| RD_284526466298_000 | computation | Reference Data From Materials Project: {formula:Cd3H2CSeO8,spaceGroup:Pnma,id:mp-697981} |
| RD_284748687763_000 | computation | Reference Data From Materials Project: {formula:TlCdI3,spaceGroup:Pmnb,id:mp-27252} |
| RD_284892655034_000 | computation | Reference Data From Materials Project: {formula:CdSnAs2,spaceGroup:Cm,id:mp-676728} |
| RD_284926655343_000 | computation | Reference Data From Materials Project: {formula:CdAu3,spaceGroup:P6_3/mmc,id:mp-865144} |
| RD_285036540693_000 | computation | Reference Data From Materials Project: {formula:CdCoO3,spaceGroup:R-3,id:mp-770662} |
| RD_285991506314_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_286659587682_000 | computation | Reference Data From Materials Project: {formula:LiCd,spaceGroup:Fd-3m,id:mp-1437} |
| RD_286680594230_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571559} |
| RD_287072442670_000 | computation | Reference Data From Materials Project: {formula:CdCu2SnSe4,spaceGroup:I-42m,id:mp-16565} |
| RD_287426292257_000 | computation | Reference Data From Materials Project: {formula:YbCdAg2,spaceGroup:Fm-3m,id:mp-865739} |
| RD_288678786403_000 | computation | Reference Data From Materials Project: {formula:Cd(InSe2)2,spaceGroup:I-4m2,id:mp-38170} |
| RD_290042850306_000 | computation | Reference Data From Materials Project: {formula:MgCdAu2,spaceGroup:Fm-3m,id:mp-865150} |
| RD_290089588074_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_291259916361_000 | computation | Reference Data From Materials Project: {formula:Na2CdPb,spaceGroup:F-43m,id:mp-20389} |
| RD_291913182872_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-624406} |
| RD_292227214195_000 | computation | Reference Data From Materials Project: {formula:Ba(CdSb)2,spaceGroup:P-3m1,id:mp-8150} |
| RD_293111351353_000 | computation | Reference Data From Materials Project: {formula:LiCd2Pt,spaceGroup:Fm-3m,id:mp-867206} |
| RD_293383745985_000 | computation | Reference Data From Materials Project: {formula:LuCdHg2,spaceGroup:Fm-3m,id:mp-865988} |
| RD_293979741778_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_294076792208_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-570165} |
| RD_294387257698_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571578} |
| RD_294518627718_000 | computation | Reference Data From Materials Project: {formula:ZrCd2H12(O3F4)2,spaceGroup:C2/c,id:mp-707940} |
| RD_294935303833_000 | computation | Reference Data From Materials Project: {formula:RbCdF3,spaceGroup:Pm-3m,id:mp-6951} |
| RD_295235106460_000 | computation | Reference Data From Materials Project: {formula:Li2CdAu,spaceGroup:Fm-3m,id:mp-865577} |
| RD_296271908866_000 | computation | Reference Data From Materials Project: {formula:Mg3Cd,spaceGroup:P6_3/mmc,id:mp-30490} |
| RD_296552431609_000 | computation | Reference Data From Materials Project: {formula:AcCdAg2,spaceGroup:Fm-3m,id:mp-867338} |
| RD_296980207295_000 | computation | Reference Data From Materials Project: {formula:CeCdHg2,spaceGroup:Fm-3m,id:mp-866274} |
| RD_297476013179_000 | computation | Reference Data From Materials Project: {formula:CdH6C(BrN)3,spaceGroup:C2/c,id:mp-695891} |
| RD_297958460517_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_299291522352_000 | computation | Reference Data From Materials Project: {formula:CaSmCd2,spaceGroup:Fm-3m,id:mp-864620} |
| RD_299607827955_000 | computation | Reference Data From Materials Project: {formula:DyMgCd2,spaceGroup:Fm-3m,id:mp-867773} |
| RD_299658009117_000 | computation | Reference Data From Materials Project: {formula:Ca(CdP)2,spaceGroup:P-3m1,id:mp-9570} |
| RD_299721617211_000 | computation | Reference Data From Materials Project: {formula:CdAu,spaceGroup:Pmmb,id:mp-1404} |
| RD_300228844352_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-571592} |
| RD_300557429418_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_300752084267_000 | computation | Reference Data From Materials Project: {formula:GdCd,spaceGroup:Pm-3m,id:mp-1031} |
| RD_300834492347_000 | computation | Reference Data From Materials Project: {formula:Th6Cd7,spaceGroup:Pmcb,id:mp-30499} |
| RD_301105454954_000 | computation | Reference Data From Materials Project: {formula:Tb2CdS4,spaceGroup:I-42d,id:mp-34376} |
| RD_301207160145_000 | computation | Reference Data From Materials Project: {formula:YbMgCd2,spaceGroup:Fm-3m,id:mp-865661} |
| RD_301444495277_000 | computation | Reference Data From Materials Project: {formula:Tm2CdSe4,spaceGroup:Fd-3m,id:mp-14620} |
| RD_301744533424_000 | computation | Reference Data From Materials Project: {formula:Cd7Te7Cl8O17,spaceGroup:Pbc2_1,id:mp-683967} |
| RD_301977122294_000 | computation | Reference Data From Materials Project: {formula:CdI2,spaceGroup:P3m1,id:mp-624417} |
| RD_302078501833_000 | computation | Reference Data From Materials Project: {formula:Cr2CdSe4,spaceGroup:Fd-3m,id:mp-22605} |
| RD_302524440717_000 | computation | Reference Data From Materials Project: {formula:Ce2CdSe4,spaceGroup:I-42d,id:mp-34175} |
| RD_303157629598_000 | computation | Reference Data From Materials Project: {formula:Cd(IO3)2,spaceGroup:P2_12_12_1,id:mp-27640} |
| RD_303405753560_000 | computation | Reference Data From Materials Project: {formula:PrCdPd,spaceGroup:P-62m,id:mp-571641} |
| RD_303459378211_000 | computation | Reference Data From Materials Project: {formula:NaAlCdF6,spaceGroup:Pmcn,id:mp-555048} |
| RD_304432438207_000 | computation | Reference Data From Materials Project: {formula:Lu2CdS4,spaceGroup:Fd-3m,id:mp-8269} |
| RD_304505584398_000 | computation | Reference Data From Materials Project: {formula:CdRe2(H2O5)2,spaceGroup:P-1,id:mp-707538} |
| RD_304936718396_000 | computation | Reference Data From Materials Project: {formula:Sr2CdIn,spaceGroup:Fm-3m,id:mp-862720} |
| RD_305002929335_000 | computation | Reference Data From Materials Project: {formula:Yb2TlCd,spaceGroup:Fm-3m,id:mp-864743} |
| RD_305263318319_000 | computation | Reference Data From Materials Project: {formula:Ho2TlCd,spaceGroup:Fm-3m,id:mp-861994} |
| RD_305772944387_000 | computation | Reference Data From Materials Project: {formula:TbCdRh2,spaceGroup:Fm-3m,id:mp-864615} |
| RD_306867164030_000 | computation | Reference Data From Materials Project: {formula:HfCdCu2,spaceGroup:Fm-3m,id:mp-865164} |
| RD_307102887055_000 | computation | Reference Data From Materials Project: {formula:CdCu2GeSe4,spaceGroup:I-42m,id:mp-10967} |
| RD_308111830193_000 | computation | Reference Data From Materials Project: {formula:CdAg3,spaceGroup:P6_3/mmc,id:mp-865910} |
| RD_308583997852_000 | computation | Reference Data From Materials Project: {formula:Cd3As2,spaceGroup:I4_1/acd,id:mp-570634} |
| RD_309453887671_000 | computation | Reference Data From Materials Project: {formula:Cd(AuF6)2,spaceGroup:C2/c,id:mp-557715} |
| RD_310899333788_000 | computation | Reference Data From Materials Project: {formula:TmCdAu2,spaceGroup:Fm-3m,id:mp-865887} |
| RD_310924062852_000 | computation | Reference Data From Materials Project: {formula:CaCdPd2,spaceGroup:Fm-3m,id:mp-866279} |
| RD_311141098520_000 | computation | Reference Data From Materials Project: {formula:PrCdAu2,spaceGroup:Fm-3m,id:mp-867176} |
| RD_313519040838_000 | computation | Reference Data From Materials Project: {formula:Yb2CdPb,spaceGroup:Fm-3m,id:mp-865648} |
| RD_313580136271_000 | computation | Reference Data From Materials Project: {formula:SmMgCd2,spaceGroup:Fm-3m,id:mp-867131} |
| RD_313907707459_000 | computation | Reference Data From Materials Project: {formula:EuCd(BO2)5,spaceGroup:P2_1/c,id:mp-541157} |
| RD_314671745026_000 | computation | Reference Data From Materials Project: {formula:CdSnAs2,spaceGroup:I-42d,id:mp-3829} |
| RD_314741030068_000 | computation | Reference Data From Materials Project: {formula:CdNi2H24(ClO2)6,spaceGroup:P3,id:mp-745186} |
| RD_315028067055_000 | computation | Reference Data From Materials Project: {formula:Y2TlCd,spaceGroup:Fm-3m,id:mp-865651} |
| RD_315167685852_000 | computation | Reference Data From Materials Project: {formula:KCdF3,spaceGroup:Pm-3m,id:mp-10175} |
| RD_315830980851_000 | computation | Reference Data From Materials Project: {formula:GdCdPd,spaceGroup:P-62m,id:mp-623988} |
| RD_316586896880_000 | computation | Reference Data From Materials Project: {formula:Ti2CdC,spaceGroup:P6_3/mmc,id:mp-9961} |
| RD_317409561816_000 | computation | Reference Data From Materials Project: {formula:YbCdHg2,spaceGroup:Fm-3m,id:mp-865742} |
| RD_317735617919_000 | computation | Reference Data From Materials Project: {formula:La2Cd2O5,spaceGroup:Pnma,id:mp-770847} |
| RD_317830744651_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_318478573834_000 | computation | Reference Data From Materials Project: {formula:CdSe,spaceGroup:P6_3mc,id:mp-1070} |