An item of "reference data" is an experimental result or a high-accuracy computation (such as using density functional theory (DFT)) for a material property defined in OpenKIM for a particular system (e.g. the {111} surface energy of fcc Cu). Click for more information.
Choose from the tab above to sort the models in different ways.
| Reference Data | Data Method | Description |
|---|---|---|
| RD_178294990258_000 | computation | Reference Data From Materials Project: {formula:Ca(ZnSi)2,spaceGroup:I4/mmm,id:mp-12137} |
| RD_179751568569_000 | computation | Reference Data From Materials Project: {formula:CaO,spaceGroup:Fm-3m,id:mp-2605} |
| RD_179863296199_000 | computation | Reference Data From Materials Project: {formula:CaZrAl9BO18,spaceGroup:P6_3/m,id:mp-559642} |
| RD_179972696646_000 | computation | Reference Data From Materials Project: {formula:Ca3MnCoO6,spaceGroup:R-3c,id:mp-704674} |
| RD_180239294694_000 | computation | Reference Data From Materials Project: {formula:CaCO3,spaceGroup:Pbnm,id:mp-641635} |
| RD_180356972336_000 | computation | Reference Data From Materials Project: {formula:Ca2CdSb2,spaceGroup:Pmnb,id:mp-569267} |
| RD_180950748301_000 | computation | Reference Data From Materials Project: {formula:CaCdSn,spaceGroup:P-62m,id:mp-568695} |
| RD_180962592677_000 | computation | Reference Data From Materials Project: {formula:CaLaHg2,spaceGroup:Fm-3m,id:mp-862846} |
| RD_181043804282_000 | computation | Reference Data From Materials Project: {formula:Ba3CaZrWO9,spaceGroup:P3m1,id:mp-736122} |
| RD_181688452285_000 | computation | Reference Data From Materials Project: {formula:Na3Ca(BO2)5,spaceGroup:P-1,id:mp-614628} |
| RD_181797637907_000 | computation | Reference Data From Materials Project: {formula:Na3Ca3Zr2Si4(O5F)3,spaceGroup:P-1,id:mp-705559} |
| RD_182364795510_000 | computation | Reference Data From Materials Project: {formula:Ca10P6SeO24,spaceGroup:P-3,id:mp-17516} |
| RD_182687604218_000 | computation | Reference Data From Materials Project: {formula:PmCaRh2,spaceGroup:Fm-3m,id:mp-862885} |
| RD_182893187441_000 | computation | Reference Data From Materials Project: {formula:Ca5Pb3,spaceGroup:P6_3mc,id:mp-574272} |
| RD_183048639974_000 | computation | Reference Data From Materials Project: {formula:Ca3N2,spaceGroup:P6_3/mmc,id:mp-13148} |
| RD_183357009787_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_184352777612_000 | computation | Reference Data From Materials Project: {formula:NaCa4Ti4Nb(SiO5)5,spaceGroup:P1,id:mp-720204} |
| RD_184597444108_000 | computation | Reference Data From Materials Project: {formula:CaGdHg2,spaceGroup:Fm-3m,id:mp-867315} |
| RD_184700400107_000 | computation | Reference Data From Materials Project: {formula:CaZnSn,spaceGroup:P6_3mc,id:mp-31160} |
| RD_185184657404_000 | computation | Reference Data From Materials Project: {formula:Ca3(Cu2Sn)4,spaceGroup:P6_3mc,id:mp-570710} |
| RD_185284526481_000 | computation | CaZn in AFLOW crystal prototype AB2_oI12_74_e_h (KHg2/CeCu2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_185421640675_000 | computation | Reference Data From Materials Project: {formula:CaH4NClO5,spaceGroup:Pbca,id:mp-720586} |
| RD_185862101367_000 | computation | Reference Data From Materials Project: {formula:CaZn3,spaceGroup:P6_3/mmc,id:mp-680531} |
| RD_186421913584_000 | computation | Reference Data From Materials Project: {formula:CaBiO3,spaceGroup:P2_1/c,id:mp-755893} |
| RD_186429225233_000 | computation | Reference Data From Materials Project: {formula:Ca3Mn2(SiO4)3,spaceGroup:Ia-3d,id:mp-19597} |
| RD_186978795247_000 | computation | Reference Data From Materials Project: {formula:CaTm2O4,spaceGroup:Pnam,id:mp-754410} |
| RD_187435937595_000 | computation | Reference Data From Materials Project: {formula:CaY2O4,spaceGroup:Cmcm,id:mp-756468} |
| RD_187723002757_000 | computation | Reference Data From Materials Project: {formula:Ca2ZnRh,spaceGroup:Fm-3m,id:mp-867854} |
| RD_188085579069_000 | computation | Reference Data From Materials Project: {formula:CaZnGe,spaceGroup:P6_3/mmc,id:mp-16263} |
| RD_188333906113_000 | computation | Reference Data From Materials Project: {formula:Eu2Ca(CuO3)2,spaceGroup:C2/c,id:mp-561024} |
| RD_189062520605_000 | computation | Reference Data From Materials Project: {formula:Ca(BiO2)2,spaceGroup:C2/c,id:mp-558751} |
| RD_189522891567_000 | computation | Reference Data From Materials Project: {formula:Ca2CoW,spaceGroup:F-43m,id:mp-631696} |
| RD_190010063367_000 | computation | Reference Data From Materials Project: {formula:CsCaF3,spaceGroup:Pm-3m,id:mp-7104} |
| RD_190259919335_000 | computation | Reference Data From Materials Project: {formula:CaB2(H2O3)2,spaceGroup:C2/c,id:mp-696618} |
| RD_191007096142_000 | computation | Reference Data From Materials Project: {formula:Na13Ca7S12Cl2O48F,spaceGroup:P1,id:mp-695559} |
| RD_191398923143_000 | computation | Reference Data From Materials Project: {formula:Na3Ca(BO2)5,spaceGroup:P-1,id:mp-542719} |
| RD_191751985953_000 | computation | Reference Data From Materials Project: {formula:SrCaGe,spaceGroup:Pmnb,id:mp-12418} |
| RD_192473150022_000 | computation | Reference Data From Materials Project: {formula:Ca2VBiO6,spaceGroup:Ccm2_1,id:mp-567358} |
| RD_192480807146_000 | computation | Reference Data From Materials Project: {formula:CaGaBO4,spaceGroup:Ccc2,id:mp-557855} |
| RD_193587948003_000 | computation | Reference Data From Materials Project: {formula:LiCaAlF6,spaceGroup:P-31c,id:mp-6134} |
| RD_193680893722_000 | computation | Reference Data From Materials Project: {formula:Ca2B5Os3,spaceGroup:C2,id:mp-542455} |
| RD_193884405082_000 | computation | Reference Data From Materials Project: {formula:Ca2WO5,spaceGroup:P2_1/c,id:mp-772107} |
| RD_194100807980_000 | computation | Reference Data From Materials Project: {formula:CaH12(BrO3)2,spaceGroup:P321,id:mp-24044} |
| RD_194601646275_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:I4/mmm,id:mp-29881} |
| RD_194955630652_000 | computation | Reference Data From Materials Project: {formula:Ca3Sn2S7,spaceGroup:I4/mmm,id:mp-866849} |
| RD_195374459821_000 | computation | Reference Data From Materials Project: {formula:Ca(MgBi)2,spaceGroup:P-3m1,id:mp-29208} |
| RD_196121800253_000 | computation | Reference Data From Materials Project: {formula:Ca2H2S2O9,spaceGroup:C2,id:mp-733656} |
| RD_196630375449_000 | computation | Reference Data From Materials Project: {formula:Ca10P6ClO24F,spaceGroup:P3,id:mp-686571} |
| RD_197056449377_000 | computation | Reference Data From Materials Project: {formula:Ca3SnS5,spaceGroup:I4/mcm,id:mp-866830} |
| RD_197115837061_000 | computation | Reference Data From Materials Project: {formula:Ca9LaTi10O30,spaceGroup:P1,id:mp-686651} |
| RD_198500796122_000 | computation | Reference Data From Materials Project: {formula:KCaNb2O6F,spaceGroup:Imma,id:mp-682067} |
| RD_198756875917_000 | computation | Reference Data From Materials Project: {formula:CaH2CO4,spaceGroup:P3_1,id:mp-560832} |
| RD_199013334605_000 | computation | Reference Data From Materials Project: {formula:Ca3BiN,spaceGroup:Pm-3m,id:mp-31149} |
| RD_199078327756_000 | computation | Reference Data From Materials Project: {formula:CaSiCuH2O5,spaceGroup:P2_1/c,id:mp-703515} |
| RD_200015906829_000 | computation | Reference Data From Materials Project: {formula:NaCa9TaTi9(SiO5)10,spaceGroup:P1,id:mp-705502} |
| RD_200549142020_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:Pm-3m,id:mp-866820} |
| RD_200688025525_000 | computation | Reference Data From Materials Project: {formula:Ca2Tl2O5,spaceGroup:P2_1/c,id:mp-867615} |
| RD_201384492692_000 | computation | Reference Data From Materials Project: {formula:Ca7La3Ti5Cr5O30,spaceGroup:Pm,id:mp-744008} |
| RD_201560542883_000 | computation | Reference Data From Materials Project: {formula:CaCuP,spaceGroup:P6_3/mmc,id:mp-8432} |
| RD_202255264231_000 | computation | Reference Data From Materials Project: {formula:Ca2B5BrO9,spaceGroup:P2nn,id:mp-554056} |
| RD_202507746005_000 | computation | Reference Data From Materials Project: {formula:Sr8CaRe3(CuO6)4,spaceGroup:Pm-3m,id:mp-21652} |
| RD_203416933798_000 | computation | Reference Data From Materials Project: {formula:Ca2Pt3O8,spaceGroup:R-3m,id:mp-8710} |
| RD_203671207908_000 | computation | Reference Data From Materials Project: {formula:Ca(Sm2Se3)4,spaceGroup:Cc,id:mp-34196} |
| RD_203825905048_000 | computation | Reference Data From Materials Project: {formula:Ca2SiO4,spaceGroup:I4/mmm,id:mp-8682} |
| RD_203847634015_000 | computation | Reference Data From Materials Project: {formula:Ca2AlH8S2Cl(O6F)2,spaceGroup:I4/m,id:mp-643446} |
| RD_204104828830_000 | computation | Reference Data From Materials Project: {formula:Ca3(InAs2)2,spaceGroup:Pmnn,id:mp-650513} |
| RD_204199611176_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:Fd-3m,id:mp-866471} |
| RD_205272294210_000 | computation | Reference Data From Materials Project: {formula:Ca2TiSiO6,spaceGroup:Fm-3m,id:mp-9413} |
| RD_205826163480_000 | computation | Reference Data From Materials Project: {formula:Ca2BClO3,spaceGroup:P2_1/c,id:mp-554263} |
| RD_205864546668_000 | computation | Reference Data From Materials Project: {formula:Ca(BO2)2,spaceGroup:Pc2_1n,id:mp-556826} |
| RD_205904963682_000 | computation | Reference Data From Materials Project: {formula:CaC2,spaceGroup:Pmnn,id:mp-684668} |
| RD_206697434106_000 | computation | Reference Data From Materials Project: {formula:Ca14MnP11,spaceGroup:Ic2a,id:mp-532160} |
| RD_206819252580_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P-31m,id:mp-753345} |
| RD_206949886772_000 | computation | Reference Data From Materials Project: {formula:CaNdTiMnO6,spaceGroup:Pc,id:mp-41742} |
| RD_207774632562_000 | computation | Reference Data From Materials Project: {formula:Ca(Al2Cu)4,spaceGroup:I4/mmm,id:mp-10877} |
| RD_207807200937_000 | computation | CaSi in AFLOW crystal prototype AB2_hR3_166_a_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_208163877338_000 | computation | Reference Data From Materials Project: {formula:Yb2CaO4,spaceGroup:Pmnb,id:mp-22161} |
| RD_208505700454_000 | computation | Reference Data From Materials Project: {formula:CaAsAu,spaceGroup:P6_3/mmc,id:mp-3927} |
| RD_208786513233_000 | computation | Reference Data From Materials Project: {formula:CaSn2Rh,spaceGroup:Cmcm,id:mp-11959} |
| RD_208860554509_000 | computation | Reference Data From Materials Project: {formula:CaAcZn2,spaceGroup:Fm-3m,id:mp-864962} |
| RD_209107599740_000 | computation | Reference Data From Materials Project: {formula:Sr8CaRe3(CuO6)4,spaceGroup:Pm-3m,id:mp-21652} |
| RD_209270960484_000 | computation | Reference Data From Materials Project: {formula:NaCaPO4,spaceGroup:P2_1cn,id:mp-14401} |
| RD_209549410692_000 | computation | Reference Data From Materials Project: {formula:CaLu2O4,spaceGroup:Pmnb,id:mp-504539} |
| RD_209671936832_000 | computation | Reference Data From Materials Project: {formula:CaRe2Si,spaceGroup:Fm-3m,id:mp-631420} |
| RD_210224791219_000 | computation | Reference Data From Materials Project: {formula:CaHI,spaceGroup:P4/nmm,id:mp-24204} |
| RD_210707873329_000 | computation | Reference Data From Materials Project: {formula:Ca(FeO2)2,spaceGroup:Pmnb,id:mp-25690} |
| RD_210796750945_000 | computation | Reference Data From Materials Project: {formula:Ca12Be17O29,spaceGroup:F-43m,id:mp-27407} |
| RD_210826023317_000 | computation | Reference Data From Materials Project: {formula:Ca2PdWO6,spaceGroup:Imm2,id:mp-25183} |
| RD_211088510881_000 | computation | CaH in AFLOW crystal prototype AB2_oP12_62_c_2c (metal-oxide; O2Pr1, ICSD #380398). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_211363061849_000 | computation | Reference Data From Materials Project: {formula:CaFe5O7,spaceGroup:Cmcm,id:mp-504565} |
| RD_211582233459_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:P1,id:mp-626563} |
| RD_211788191351_000 | computation | Reference Data From Materials Project: {formula:CaMnSiHO5,spaceGroup:P2_12_12_1,id:mp-25699} |
| RD_211843048846_000 | computation | Reference Data From Materials Project: {formula:Sr2CaWO6,spaceGroup:Fm-3m,id:mp-18981} |
| RD_212213881025_000 | computation | Reference Data From Materials Project: {formula:Ca11Tl9O24,spaceGroup:P2_1/m,id:mp-765152} |
| RD_212265865565_000 | computation | Reference Data From Materials Project: {formula:Ca,spaceGroup:Fm-3m,id:mp-45} |
| RD_212907884713_000 | computation | Reference Data From Materials Project: {formula:Ca2ZnN2,spaceGroup:I4/mmm,id:mp-8818} |
| RD_213155211354_000 | computation | Reference Data From Materials Project: {formula:Ca2CoTeO6,spaceGroup:P2_1/c,id:mp-558451} |
| RD_213750025066_000 | computation | Reference Data From Materials Project: {formula:CaAlF5,spaceGroup:C2/c,id:mp-8836} |
| RD_214358111423_000 | computation | Reference Data From Materials Project: {formula:CaAs,spaceGroup:P-62m,id:mp-888} |
| RD_214682886655_000 | computation | Reference Data From Materials Project: {formula:CaNi4B,spaceGroup:P6/mmm,id:mp-8307} |
| RD_214749458034_000 | computation | Reference Data From Materials Project: {formula:CaFeO3,spaceGroup:Pbnm,id:mp-19115} |
| RD_215481372444_000 | computation | Reference Data From Materials Project: {formula:CaB6,spaceGroup:Pm-3m,id:mp-865} |
| RD_215921608307_000 | computation | Reference Data From Materials Project: {formula:Ca4GeN4,spaceGroup:P2_1/c,id:mp-29808} |
| RD_217333673467_000 | computation | Reference Data From Materials Project: {formula:Ca2Si3Cu2(HO3)4,spaceGroup:P2_1/m,id:mp-696360} |
| RD_217745458442_000 | computation | Reference Data From Materials Project: {formula:Ca3Sc2(GeO4)3,spaceGroup:Ia-3d,id:mp-21989} |
| RD_217772336376_000 | computation | Reference Data From Materials Project: {formula:Ca3TaGa3(SiO7)2,spaceGroup:P321,id:mp-6853} |
| RD_218223852323_000 | computation | Reference Data From Materials Project: {formula:Ca2Sn,spaceGroup:Pmnb,id:mp-22735} |
| RD_218358499220_000 | computation | Reference Data From Materials Project: {formula:NaCa9Ti9Nb(SiO5)10,spaceGroup:P1,id:mp-534850} |
| RD_218748000104_000 | computation | Reference Data From Materials Project: {formula:CaV4(CuO4)3,spaceGroup:Im3,id:mp-542267} |
| RD_218900111097_000 | computation | Reference Data From Materials Project: {formula:CaIn2,spaceGroup:P6_3/mmc,id:mp-581665} |
| RD_218936106750_000 | computation | Reference Data From Materials Project: {formula:BaCaVP2O9,spaceGroup:P2_1/c,id:mp-565627} |
| RD_218952987321_000 | computation | Reference Data From Materials Project: {formula:CaNiGe2,spaceGroup:Cmcm,id:mp-13512} |
| RD_219151856374_000 | computation | Reference Data From Materials Project: {formula:CaCu(GeO3)2,spaceGroup:P2_1/c,id:mp-6537} |
| RD_219192807828_000 | computation | Reference Data From Materials Project: {formula:Ca2InPd2,spaceGroup:C2/c,id:mp-20792} |
| RD_219398379550_000 | computation | Reference Data From Materials Project: {formula:Ca10V6O25,spaceGroup:P-3,id:mp-891955} |
| RD_219569599183_000 | computation | Reference Data From Materials Project: {formula:CaTl,spaceGroup:Pm-3m,id:mp-2861} |
| RD_219700152131_000 | computation | Reference Data From Materials Project: {formula:NaCa2B9(H2O5)4,spaceGroup:P2_1/c,id:mp-722342} |
| RD_220430339706_000 | computation | Reference Data From Materials Project: {formula:CaGd2O4,spaceGroup:Fd-3m,id:mp-752679} |
| RD_220535401877_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:Pm-3m,id:mp-866820} |
| RD_221287929095_000 | computation | Reference Data From Materials Project: {formula:CaO,spaceGroup:P6_3/mmc,id:mp-545512} |
| RD_221593300626_000 | computation | Reference Data From Materials Project: {formula:Ca2MgIn,spaceGroup:Fm-3m,id:mp-867350} |
| RD_222334170152_000 | computation | Reference Data From Materials Project: {formula:CaCl2,spaceGroup:Pcnb,id:mp-571642} |
| RD_222970507198_000 | computation | Reference Data From Materials Project: {formula:CaMgPb,spaceGroup:Pnma,id:mp-861738} |
| RD_222980065862_000 | computation | Reference Data From Materials Project: {formula:Ca2MnAs2(H2O5)2,spaceGroup:P2_1/c,id:mp-25700} |
| RD_223412123192_000 | computation | Reference Data From Materials Project: {formula:Ca2BiAsO6,spaceGroup:Ccm2_1,id:mp-557070} |
| RD_224115017500_000 | computation | Reference Data From Materials Project: {formula:Ba2CaCu2HgO6,spaceGroup:P4/mmm,id:mp-6879} |
| RD_224227048907_000 | computation | Reference Data From Materials Project: {formula:CaO2,spaceGroup:I4/mmm,id:mp-634859} |
| RD_224586481497_000 | computation | Reference Data From Materials Project: {formula:CaGePt,spaceGroup:Pmnb,id:mp-31153} |
| RD_225688476596_000 | computation | Reference Data From Materials Project: {formula:Ca2Fe2O5,spaceGroup:Pnam,id:mp-25750} |
| RD_225769210412_000 | computation | Reference Data From Materials Project: {formula:CaCdPd2,spaceGroup:Fm-3m,id:mp-866279} |
| RD_226529445325_000 | computation | Reference Data From Materials Project: {formula:Ca4Ta2O9,spaceGroup:Pcan,id:mp-769301} |
| RD_227072698855_000 | computation | Reference Data From Materials Project: {formula:Na2CaVP2O9,spaceGroup:Pmcn,id:mp-566264} |
| RD_227215030564_000 | computation | Reference Data From Materials Project: {formula:Ca5MnPb3,spaceGroup:P6_3/mcm,id:mp-680842} |
| RD_227338026935_000 | computation | Reference Data From Materials Project: {formula:CaLaI5,spaceGroup:Cmcm,id:mp-755779} |
| RD_228010729105_000 | computation | Reference Data From Materials Project: {formula:Ca10Ti8NbAl(SiO5)10,spaceGroup:P-1,id:mp-693409} |
| RD_228362888347_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:P2_13,id:mp-866565} |
| RD_228544830530_000 | computation | Reference Data From Materials Project: {formula:CaZnP2H5O8,spaceGroup:P2_1/c,id:mp-722378} |
| RD_229272588759_000 | computation | Reference Data From Materials Project: {formula:Ca2Ag7,spaceGroup:Cmcm,id:mp-16770} |
| RD_229501223177_000 | computation | Reference Data From Materials Project: {formula:CsCaBr3,spaceGroup:Pm-3m,id:mp-30056} |
| RD_229737434619_000 | computation | Reference Data From Materials Project: {formula:Ca2Zr5Ti2O16,spaceGroup:Pbca,id:mp-667369} |
| RD_229769663098_000 | computation | Reference Data From Materials Project: {formula:Ca2MgP2(H2O5)2,spaceGroup:P-1,id:mp-23717} |
| RD_230620724953_000 | computation | Reference Data From Materials Project: {formula:LiCa2Al,spaceGroup:Fm-3m,id:mp-862632} |
| RD_231307460321_000 | computation | Reference Data From Materials Project: {formula:Ca2Se3O8,spaceGroup:P-1,id:mp-28535} |
| RD_231446939946_000 | computation | Reference Data From Materials Project: {formula:Ca3Si(ClO2)2,spaceGroup:P2_1/c,id:mp-540868} |
| RD_231995944224_000 | computation | Reference Data From Materials Project: {formula:Ca(AlGe)2,spaceGroup:P-3m1,id:mp-3862} |
| RD_232075784153_000 | computation | Reference Data From Materials Project: {formula:CaMgTl2,spaceGroup:Fm-3m,id:mp-867266} |
| RD_232827511805_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:P1,id:mp-626275} |
| RD_232955705861_000 | computation | Reference Data From Materials Project: {formula:LiCaPO4,spaceGroup:P31c,id:mp-16804} |
| RD_233015838531_000 | computation | Reference Data From Materials Project: {formula:Ca2Al4Si8H14O31,spaceGroup:P1,id:mp-743762} |
| RD_233404807052_000 | computation | Reference Data From Materials Project: {formula:Ca6Nd6ScMn11O36,spaceGroup:P1,id:mp-698723} |
| RD_233535189590_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6SO12,spaceGroup:I-43m,id:mp-8876} |
| RD_234033938427_000 | computation | Reference Data From Materials Project: {formula:Ca3PCl3,spaceGroup:Pm-3m,id:mp-29342} |
| RD_234788827680_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:Pbnm,id:mp-866844} |
| RD_234894458207_000 | computation | Reference Data From Materials Project: {formula:CaGaGe,spaceGroup:P6_3/mmc,id:mp-541310} |
| RD_235037990431_000 | computation | Reference Data From Materials Project: {formula:CaTe3O8,spaceGroup:C2/c,id:mp-15511} |
| RD_235401095289_000 | computation | Reference Data From Materials Project: {formula:Ca5Al6O14,spaceGroup:Cmc2_1,id:mp-17694} |
| RD_235462695087_000 | computation | Reference Data From Materials Project: {formula:KCa2Nb3O10,spaceGroup:P2_1/m,id:mp-557195} |
| RD_235809528363_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:Cmcm,id:mp-866850} |
| RD_236327862837_000 | computation | Reference Data From Materials Project: {formula:PmCaZn2,spaceGroup:Fm-3m,id:mp-862888} |
| RD_236579535228_000 | computation | Reference Data From Materials Project: {formula:CaCl2,spaceGroup:P4_2/mnm,id:mp-22904} |
| RD_236621403251_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6MoO16,spaceGroup:Cc2e,id:mp-578961} |
| RD_237181166188_000 | computation | Reference Data From Materials Project: {formula:Sr2CaCu2(BiO4)2,spaceGroup:I4/mmm,id:mp-555855} |
| RD_237645547645_000 | computation | Reference Data From Materials Project: {formula:Ca(CoO2)2,spaceGroup:Pmnb,id:mp-510651} |
| RD_237667966829_000 | computation | Reference Data From Materials Project: {formula:Ca3Si9Cu5O26,spaceGroup:C2/c,id:mp-722867} |
| RD_238359098764_000 | computation | Reference Data From Materials Project: {formula:Ca3Be2P4(HO2)10,spaceGroup:P2_1/c,id:mp-707876} |
| RD_238383136946_000 | computation | Reference Data From Materials Project: {formula:CaCd2,spaceGroup:P6_3/mmc,id:mp-1078} |
| RD_238873297264_000 | computation | Reference Data From Materials Project: {formula:Na3Ca2Ta3Ti2O15,spaceGroup:P1,id:mp-677743} |
| RD_239736699922_000 | computation | Reference Data From Materials Project: {formula:NaCa2Mg2(AsO4)3,spaceGroup:I4_1/acd,id:mp-677573} |
| RD_240700092461_000 | computation | Reference Data From Materials Project: {formula:CaBeB2O5,spaceGroup:P2_1/c,id:mp-554315} |
| RD_240784664469_000 | computation | Reference Data From Materials Project: {formula:Ca3La5Mn7FeO24,spaceGroup:P1,id:mp-694928} |
| RD_241181679185_000 | computation | Reference Data From Materials Project: {formula:CaMn(SiO3)2,spaceGroup:C2/c,id:mp-19446} |
| RD_241265946849_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:C2/m,id:mp-866522} |
| RD_242167312587_000 | computation | Reference Data From Materials Project: {formula:CaPbI4,spaceGroup:P2_1/c,id:mp-755943} |
| RD_242698174244_000 | computation | Reference Data From Materials Project: {formula:CaLuRh2,spaceGroup:Fm-3m,id:mp-861869} |
| RD_243019066061_000 | computation | Reference Data From Materials Project: {formula:CaZn2(H5O4)2,spaceGroup:P2_1/c,id:mp-707250} |
| RD_243181732794_000 | computation | Reference Data From Materials Project: {formula:CaSmCd2,spaceGroup:Fm-3m,id:mp-864620} |
| RD_243326583036_000 | computation | Reference Data From Materials Project: {formula:Na4CaTa4TiO15,spaceGroup:P1,id:mp-720689} |
| RD_243620588952_000 | computation | Reference Data From Materials Project: {formula:Ba2CaV2CuF14,spaceGroup:C2/c,id:mp-641854} |
| RD_244448628555_000 | computation | Ca in AFLOW crystal prototype A_cI2_229_a (Body-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_244768053928_000 | computation | Reference Data From Materials Project: {formula:Ca3Mn2(SiO4)3,spaceGroup:Ia-3d,id:mp-19597} |
| RD_244822040854_000 | computation | Reference Data From Materials Project: {formula:Ca2SiB5H5O14,spaceGroup:P2_1/c,id:mp-850516} |
| RD_245175910721_000 | computation | Reference Data From Materials Project: {formula:CaH2C2O5,spaceGroup:P2_1/c,id:mp-557769} |
| RD_245313407948_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:Pmnb,id:mp-866496} |
| RD_246006088394_000 | computation | Reference Data From Materials Project: {formula:CaGa2Cu3(RuO6)2,spaceGroup:Pn3,id:mp-720504} |
| RD_246876186515_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_247307003092_000 | computation | Reference Data From Materials Project: {formula:CaSc2O4,spaceGroup:Pmnb,id:mp-4056} |
| RD_248137502383_000 | computation | Reference Data From Materials Project: {formula:CaAl2,spaceGroup:Fd-3m,id:mp-2404} |
| RD_248192492951_000 | computation | Reference Data From Materials Project: {formula:CaB4O7,spaceGroup:P2_1nm,id:mp-11000} |
| RD_248452064463_000 | computation | CaZn in AFLOW crystal prototype AB5_hP6_191_a_cg (CaCu5). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_248547504311_000 | computation | Reference Data From Materials Project: {formula:CaMn2O4,spaceGroup:Pcmb,id:mp-18844} |
| RD_249138990466_000 | computation | Reference Data From Materials Project: {formula:CaV2P2(H4O7)2,spaceGroup:P1,id:mp-743511} |
| RD_249223322274_000 | computation | Reference Data From Materials Project: {formula:Ca5(AlBi3)2,spaceGroup:Pmcb,id:mp-28088} |
| RD_249343951572_000 | computation | Reference Data From Materials Project: {formula:CaSnRh2,spaceGroup:Fm-3m,id:mp-861935} |
| RD_249521790392_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_249986359891_000 | computation | Reference Data From Materials Project: {formula:CaZr(PO4)2,spaceGroup:Pnma,id:mp-554495} |
| RD_250091400167_000 | computation | Reference Data From Materials Project: {formula:CaSnF6,spaceGroup:R-3,id:mp-4782} |
| RD_250119196633_000 | computation | Reference Data From Materials Project: {formula:NaCaFe3(PO4)4,spaceGroup:Pcab,id:mp-851073} |
| RD_250492967757_000 | computation | Reference Data From Materials Project: {formula:CaHg,spaceGroup:Pm-3m,id:mp-11286} |
| RD_250508455355_000 | computation | Reference Data From Materials Project: {formula:CaHoMn2O6,spaceGroup:P2_1nm,id:mp-39739} |
| RD_250725034290_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:P1,id:mp-867053} |
| RD_250805936534_000 | computation | Reference Data From Materials Project: {formula:CaCO3,spaceGroup:C2/c,id:mp-696740} |
| RD_251272341558_000 | computation | Reference Data From Materials Project: {formula:Ca2CrO8,spaceGroup:Cm,id:mp-795621} |
| RD_251309857183_000 | computation | Reference Data From Materials Project: {formula:Ba3CaRu2O9,spaceGroup:P-62c,id:mp-541485} |
| RD_251504411475_000 | computation | Reference Data From Materials Project: {formula:Ca(MgBi)2,spaceGroup:P-3m1,id:mp-29208} |
| RD_251828557683_000 | computation | Reference Data From Materials Project: {formula:Ca4Ta2O9,spaceGroup:P-1,id:mp-769333} |
| RD_251912182773_000 | computation | Reference Data From Materials Project: {formula:Ca9Mn4Bi9,spaceGroup:Pmcb,id:mp-31042} |
| RD_252297116499_000 | computation | Reference Data From Materials Project: {formula:Ca11Bi10,spaceGroup:I4/mmm,id:mp-27298} |
| RD_252369326338_000 | computation | Reference Data From Materials Project: {formula:Ca(H2N)2,spaceGroup:P2_1/c,id:mp-644307} |
| RD_252903513922_000 | computation | Reference Data From Materials Project: {formula:CaPb,spaceGroup:P4/mmm,id:mp-20034} |
| RD_253090664700_000 | computation | CaZn in AFLOW crystal prototype AB5_hP6_191_a_cg (CaCu5). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_253182797315_000 | computation | Reference Data From Materials Project: {formula:CaCr2(PO4)2,spaceGroup:C2/c,id:mp-565963} |
| RD_253925939617_000 | computation | Reference Data From Materials Project: {formula:CaAlSi,spaceGroup:P6_3/mmc,id:mp-570150} |
| RD_254128872007_000 | computation | Reference Data From Materials Project: {formula:NaCaAs,spaceGroup:F-43m,id:mp-961685} |
| RD_255762205806_000 | computation | Reference Data From Materials Project: {formula:Li2Ca,spaceGroup:Fd-3m,id:mp-11644} |
| RD_255852681928_000 | computation | Reference Data From Materials Project: {formula:CaIn2O4,spaceGroup:Fd-3m,id:mp-22766} |
| RD_256053749980_000 | computation | Reference Data From Materials Project: {formula:CaCuAs,spaceGroup:P6_3/mmc,id:mp-4120} |
| RD_256087456302_000 | computation | Reference Data From Materials Project: {formula:Na2Ca3Al2F14,spaceGroup:I2_13,id:mp-555730} |
| RD_256212930590_000 | computation | Reference Data From Materials Project: {formula:CaMnB2O5,spaceGroup:P2_1/c,id:mp-565633} |
| RD_256269962907_000 | computation | Reference Data From Materials Project: {formula:Ca2MgIn,spaceGroup:Fm-3m,id:mp-867350} |
| RD_256783895236_000 | computation | Reference Data From Materials Project: {formula:Ca5V3O12F,spaceGroup:P-1,id:mp-565819} |
| RD_257075786028_000 | computation | Reference Data From Materials Project: {formula:Ca(B3O5)2,spaceGroup:P2_1/c,id:mp-558358} |
| RD_257134442376_000 | computation | Reference Data From Materials Project: {formula:CaV4(CuO4)3,spaceGroup:Im3,id:mp-542267} |
| RD_257260051013_000 | computation | Reference Data From Materials Project: {formula:CaHg11,spaceGroup:Pm-3m,id:mp-30475} |
| RD_257648239102_000 | computation | Reference Data From Materials Project: {formula:Na2Ca2(CO3)3,spaceGroup:Cm2m,id:mp-557391} |
| RD_258653052164_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ca, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-45) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_259032732915_000 | computation | Reference Data From Materials Project: {formula:Ca11(ReO6)4,spaceGroup:I4_1,id:mp-29532} |
| RD_259382751776_000 | computation | Reference Data From Materials Project: {formula:Na13Ca7S12(O16F)3,spaceGroup:Pm,id:mp-532575} |
| RD_259485090376_000 | computation | Reference Data From Materials Project: {formula:NaCa2Al2P2H5O11F4,spaceGroup:P2_1/m,id:mp-707176} |
| RD_259972134791_000 | computation | Reference Data From Materials Project: {formula:SrCaSn,spaceGroup:F-43m,id:mp-962065} |
| RD_260173507611_000 | computation | Reference Data From Materials Project: {formula:Ca(GdS2)2,spaceGroup:I-42d,id:mp-36358} |
| RD_260186040258_000 | computation | Reference Data From Materials Project: {formula:CaCu3(RuO3)4,spaceGroup:Im3,id:mp-6036} |
| RD_260206027827_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:Cmmm,id:mp-866818} |
| RD_261092949344_000 | computation | CaSi in AFLOW crystal prototype A14B19_hR66_167_b2cef_2ce2f. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_261431713413_000 | computation | Reference Data From Materials Project: {formula:CaMnSb2,spaceGroup:Pmcn,id:mp-21131} |
| RD_261720961538_000 | computation | Reference Data From Materials Project: {formula:Ca3Ti2AlSi3O14F,spaceGroup:P-1,id:mp-43094} |
| RD_262317095343_000 | computation | Reference Data From Materials Project: {formula:Ca3Hg,spaceGroup:Pm-3m,id:mp-571484} |
| RD_262677405790_000 | computation | Reference Data From Materials Project: {formula:CaAlSi,spaceGroup:P-6m2,id:mp-567191} |
| RD_262831990400_000 | computation | Reference Data From Materials Project: {formula:CaGeO3,spaceGroup:P-1,id:mp-17761} |
| RD_263420650650_000 | computation | Reference Data From Materials Project: {formula:Li4Ca(BO3)2,spaceGroup:Pmnn,id:mp-557467} |
| RD_263845542404_000 | computation | Reference Data From Materials Project: {formula:CaP(H2O3)2,spaceGroup:C2/c,id:mp-632758} |
| RD_264703556233_000 | computation | Reference Data From Materials Project: {formula:CaHg,spaceGroup:Pm-3m,id:mp-11286} |
| RD_264769486879_000 | computation | Reference Data From Materials Project: {formula:LiCa2Cd,spaceGroup:Fm-3m,id:mp-867803} |
| RD_265212566455_000 | computation | Reference Data From Materials Project: {formula:Ca2AlH10BrO8,spaceGroup:P-1,id:mp-695316} |
| RD_265240603158_000 | computation | Reference Data From Materials Project: {formula:Ca2V3Co2AgO12,spaceGroup:I4_1/acd,id:mp-743702} |
| RD_265627811108_000 | computation | Reference Data From Materials Project: {formula:Rb2CaV2O7,spaceGroup:P2_1/c,id:mp-565589} |
| RD_265794014102_000 | computation | Reference Data From Materials Project: {formula:Na6Ca3MnC6(O9F)2,spaceGroup:P1,id:mp-767841} |
| RD_265984320510_000 | computation | Reference Data From Materials Project: {formula:CaAl12Si4O27,spaceGroup:P-3,id:mp-560993} |
| RD_266215837646_000 | computation | Reference Data From Materials Project: {formula:Ca5Al12Si12(AgO24)2,spaceGroup:P1,id:mp-677550} |
| RD_266223368406_000 | computation | Reference Data From Materials Project: {formula:CaPd2,spaceGroup:Fd-3m,id:mp-833} |
| RD_266424084810_000 | computation | Reference Data From Materials Project: {formula:Ca10Si3S3(ClO12)2,spaceGroup:Pm,id:mp-42163} |
| RD_266424891480_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca2Tl2Cu3O10,spaceGroup:P1,id:mp-653154} |
| RD_266457550224_000 | computation | Reference Data From Materials Project: {formula:Ba2CaY(Co4O7)2,spaceGroup:P3m1,id:mp-698728} |
| RD_266541306520_000 | computation | Reference Data From Materials Project: {formula:CaSn2S5,spaceGroup:Fd-3m,id:mp-866847} |
| RD_266965978584_000 | computation | Reference Data From Materials Project: {formula:CaV2O5,spaceGroup:Pmnm,id:mp-19305} |
| RD_267388553520_000 | computation | Reference Data From Materials Project: {formula:Na3Ca3AlAs4,spaceGroup:P6_3mc,id:mp-15572} |
| RD_267537501114_000 | computation | Reference Data From Materials Project: {formula:Ca2Hf7O16,spaceGroup:R-3,id:mp-27221} |
| RD_269200402776_000 | computation | Reference Data From Materials Project: {formula:Ca2PdAu,spaceGroup:Fm-3m,id:mp-863744} |
| RD_270144284693_000 | computation | Reference Data From Materials Project: {formula:Ca(PO3)2,spaceGroup:Cc,id:mp-561008} |
| RD_270602003647_000 | computation | Reference Data From Materials Project: {formula:CaH16C4N8(ClO2)2,spaceGroup:P2_1/c,id:mp-735603} |
| RD_270876754885_000 | computation | Reference Data From Materials Project: {formula:Na2Ca29ZrSi16(O7F2)8,spaceGroup:P1,id:mp-735808} |
| RD_271327173749_000 | computation | Reference Data From Materials Project: {formula:Ca(GaO2)2,spaceGroup:Pmnb,id:mp-4959} |
| RD_273343364210_000 | computation | Reference Data From Materials Project: {formula:CaZnSi3O8,spaceGroup:P-1,id:mp-554905} |
| RD_273624525581_000 | computation | Reference Data From Materials Project: {formula:K2NaCa2TiSi7HO20,spaceGroup:P-1,id:mp-720410} |
| RD_273822307328_000 | computation | Reference Data From Materials Project: {formula:Ca4As7Ir8,spaceGroup:P2_1/m,id:mp-31234} |
| RD_273890808627_000 | computation | Reference Data From Materials Project: {formula:Ca5(SiN3)2,spaceGroup:C2/c,id:mp-571333} |
| RD_273999133173_000 | computation | Reference Data From Materials Project: {formula:CaNdMn2O6,spaceGroup:P1,id:mp-744199} |
| RD_274466196262_000 | computation | Reference Data From Materials Project: {formula:CaZn2,spaceGroup:P6_3/mmc,id:mp-13364} |
| RD_274636200962_000 | computation | Reference Data From Materials Project: {formula:Ca3SnN,spaceGroup:Pm-3m,id:mp-637179} |
| RD_274777913306_000 | computation | Reference Data From Materials Project: {formula:CaF2,spaceGroup:Fm-3m,id:mp-2741} |
| RD_275061463835_000 | computation | Reference Data From Materials Project: {formula:CaH12S2(NO5)2,spaceGroup:C2/c,id:mp-758221} |
| RD_275067986708_000 | computation | Reference Data From Materials Project: {formula:Ca(HO)2,spaceGroup:C2,id:mp-626644} |
| RD_275465154301_000 | computation | Reference Data From Materials Project: {formula:Ca2CdSn,spaceGroup:Fm-3m,id:mp-861940} |
| RD_275675408521_000 | computation | Reference Data From Materials Project: {formula:Ca2Ta2O7,spaceGroup:C2,id:mp-680380} |
| RD_276078816551_000 | computation | Reference Data From Materials Project: {formula:Ca2FeWO6,spaceGroup:Fm-3m,id:mp-19059} |
| RD_276114842167_000 | computation | Reference Data From Materials Project: {formula:CaFe4As3,spaceGroup:Pmcn,id:mp-22640} |
| RD_276187605786_000 | computation | Reference Data From Materials Project: {formula:Ca(ClO3)2,spaceGroup:C2/c,id:mp-755481} |
| RD_276308238178_000 | computation | Reference Data From Materials Project: {formula:CaRuO3,spaceGroup:Pbnm,id:mp-20947} |
| RD_276848691700_000 | computation | Reference Data From Materials Project: {formula:Cs2Ca2Be3F12,spaceGroup:P2_13,id:mp-562057} |
| RD_277048663254_000 | computation | Reference Data From Materials Project: {formula:Ca2SbAu,spaceGroup:Fm-3m,id:mp-861950} |
| RD_277126881799_000 | computation | Reference Data From Materials Project: {formula:Ca3InP3,spaceGroup:Pmnb,id:mp-614572} |
| RD_277989824210_000 | computation | Reference Data From Materials Project: {formula:CaSnPd,spaceGroup:Pmnb,id:mp-30437} |
| RD_278408852624_000 | computation | Reference Data From Materials Project: {formula:Ca4Ti3O10,spaceGroup:Pbca,id:mp-15315} |
| RD_278443103290_000 | computation | Reference Data From Materials Project: {formula:Ca2AlH10ClO8,spaceGroup:C2/c,id:mp-42175} |
| RD_278748253054_000 | computation | Reference Data From Materials Project: {formula:CaTa4O11,spaceGroup:P6_322,id:mp-3079} |
| RD_279680699070_000 | computation | Reference Data From Materials Project: {formula:LiCaAs,spaceGroup:F-43m,id:mp-961684} |
| RD_279795834443_000 | computation | Reference Data From Materials Project: {formula:CaTiF6,spaceGroup:Fm-3m,id:mp-27315} |
| RD_280050097055_000 | computation | Reference Data From Materials Project: {formula:CaRh2,spaceGroup:Fd-3m,id:mp-571262} |
| RD_280185907355_000 | computation | Reference Data From Materials Project: {formula:Ca3(GaNi)4,spaceGroup:I-43m,id:mp-11285} |
| RD_280227555808_000 | computation | Reference Data From Materials Project: {formula:Li6Ca12W4N16O3,spaceGroup:I-43d,id:mp-19531} |
| RD_280657201641_000 | computation | Reference Data From Materials Project: {formula:Ca3Nb2CoO9,spaceGroup:P2_1/c,id:mp-640228} |
| RD_280797329892_000 | computation | Reference Data From Materials Project: {formula:K2CaNi(NO2)6,spaceGroup:Fm3,id:mp-25101} |
| RD_281031025398_000 | computation | CaMg in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_281865804117_000 | computation | Reference Data From Materials Project: {formula:CaGdHg2,spaceGroup:Fm-3m,id:mp-867315} |
| RD_281995136827_000 | computation | Reference Data From Materials Project: {formula:CaPt2,spaceGroup:Fd-3m,id:mp-842} |
| RD_282160604005_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:Pm-3m,id:mp-866816} |
| RD_282268358441_000 | computation | Reference Data From Materials Project: {formula:Ca(HoSe2)2,spaceGroup:P2/m,id:mp-675701} |
| RD_282270066661_000 | computation | Reference Data From Materials Project: {formula:CaAlSiH,spaceGroup:P3m1,id:mp-568177} |
| RD_282808183507_000 | computation | Reference Data From Materials Project: {formula:CaIrO3,spaceGroup:Pbnm,id:mp-555735} |
| RD_282867708046_000 | computation | Reference Data From Materials Project: {formula:CaMgV2O7,spaceGroup:P2_1/c,id:mp-19696} |
| RD_283101932697_000 | computation | Reference Data From Materials Project: {formula:Ca(HO)2,spaceGroup:P3m1,id:mp-626643} |
| RD_283268708146_000 | computation | Reference Data From Materials Project: {formula:Li6Ca12Mo4N16O3,spaceGroup:I-43d,id:mp-19567} |
| RD_283297123986_000 | computation | Reference Data From Materials Project: {formula:Ca5(ReO6)2,spaceGroup:R-3c,id:mp-558966} |
| RD_283447787954_000 | computation | Reference Data From Materials Project: {formula:CaBi3,spaceGroup:Pm-3m,id:mp-866006} |
| RD_283560820297_000 | computation | Reference Data From Materials Project: {formula:Ca3MnNiO6,spaceGroup:R-3c,id:mp-25543} |
| RD_283808931498_000 | computation | Reference Data From Materials Project: {formula:Ca13Si10H12(O17F5)2,spaceGroup:R-3,id:mp-703370} |
| RD_283989230544_000 | computation | Reference Data From Materials Project: {formula:CaMnSn,spaceGroup:P4/nmm,id:mp-20233} |
| RD_284667663455_000 | computation | Reference Data From Materials Project: {formula:Ca(PRu)2,spaceGroup:I4/mmm,id:mp-5157} |
| RD_284673015620_000 | computation | Reference Data From Materials Project: {formula:CaTl,spaceGroup:Pm-3m,id:mp-2861} |
| RD_285594776239_000 | computation | Reference Data From Materials Project: {formula:Ca4Mg4Fe3H22,spaceGroup:P-43m,id:mp-644264} |
| RD_286102685926_000 | computation | Reference Data From Materials Project: {formula:Ca(Ce2Se3)4,spaceGroup:Cc,id:mp-38870} |
| RD_286223990219_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_286512292039_000 | computation | Reference Data From Materials Project: {formula:Ca2CO3F2,spaceGroup:Pnab,id:mp-6246} |
| RD_287179568810_000 | computation | Reference Data From Materials Project: {formula:Ba3CaZrWO9,spaceGroup:P3m1,id:mp-736122} |
| RD_287429996453_000 | computation | Reference Data From Materials Project: {formula:Ca5Mn4O9,spaceGroup:Cm,id:mp-767184} |
| RD_287492965171_000 | computation | Reference Data From Materials Project: {formula:CaNb2O4,spaceGroup:Pcmb,id:mp-29792} |
| RD_288004364180_000 | computation | Reference Data From Materials Project: {formula:CaV4O9,spaceGroup:P4/n,id:mp-18866} |
| RD_288428012523_000 | computation | Reference Data From Materials Project: {formula:CaAl2B2O7,spaceGroup:R-3c,id:mp-557689} |
| RD_288647593652_000 | computation | Reference Data From Materials Project: {formula:Ca(ZnAs)2,spaceGroup:P-3m1,id:mp-9571} |
| RD_288964955970_000 | computation | Reference Data From Materials Project: {formula:CaFeO2,spaceGroup:P4/mmm,id:mp-24946} |
| RD_289125309311_000 | computation | Reference Data From Materials Project: {formula:CaSm2O4,spaceGroup:Fd-3m,id:mp-754240} |
| RD_289516721798_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:P-31m,id:mp-754710} |
| RD_289885150341_000 | computation | Reference Data From Materials Project: {formula:Ca(FeSb3)4,spaceGroup:Im3,id:mp-13464} |
| RD_289986529948_000 | computation | Reference Data From Materials Project: {formula:Ca2SiIr2,spaceGroup:C2/c,id:mp-30312} |
| RD_290484466443_000 | computation | Reference Data From Materials Project: {formula:Ca2FeSbO6,spaceGroup:P2_1/c,id:mp-24970} |
| RD_291084582615_000 | computation | Reference Data From Materials Project: {formula:Na3Ca18Fe(PO4)14,spaceGroup:P1,id:mp-743773} |
| RD_292050962696_000 | computation | Reference Data From Materials Project: {formula:K2CaCu(NO2)6,spaceGroup:Fmmm,id:mp-7680} |
| RD_292792483812_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:Pmnb,id:mp-866539} |
| RD_292815734482_000 | computation | Reference Data From Materials Project: {formula:Ca3PCl3,spaceGroup:Pm-3m,id:mp-29342} |
| RD_292999320898_000 | computation | Reference Data From Materials Project: {formula:BaCa2C2(O3F)2,spaceGroup:Ccmm,id:mp-560303} |
| RD_293299288676_000 | computation | Reference Data From Materials Project: {formula:Ca5Ti3NbAl(SiO5)5,spaceGroup:P-1,id:mp-720340} |
| RD_293661302900_000 | computation | Reference Data From Materials Project: {formula:CaScSi3HO9,spaceGroup:P-1,id:mp-707027} |
| RD_293982554063_000 | computation | Reference Data From Materials Project: {formula:NaCa2Tl,spaceGroup:Fm-3m,id:mp-865051} |
| RD_294100464803_000 | computation | Reference Data From Materials Project: {formula:CaTiSiO5,spaceGroup:C2/c,id:mp-6440} |
| RD_294315986501_000 | computation | Reference Data From Materials Project: {formula:Ca3Sn2S7,spaceGroup:P2_1/c,id:mp-866869} |
| RD_294507510276_000 | computation | Reference Data From Materials Project: {formula:CaVO3,spaceGroup:Pnam,id:mp-25150} |
| RD_294900374516_000 | computation | Reference Data From Materials Project: {formula:Ca21(Mn2Bi9)2,spaceGroup:C2/c,id:mp-581814} |
| RD_295134543242_000 | computation | Reference Data From Materials Project: {formula:CaTi4(CuO4)3,spaceGroup:Im3,id:mp-22592} |
| RD_295674522773_000 | computation | Reference Data From Materials Project: {formula:CaMnGe,spaceGroup:P4/nmm,id:mp-20235} |
| RD_295787974769_000 | computation | Reference Data From Materials Project: {formula:Ca9La5Cl33,spaceGroup:P-1,id:mp-782047} |
| RD_295993256375_000 | computation | Reference Data From Materials Project: {formula:LiCa4(BN2)3,spaceGroup:Im-3m,id:mp-6799} |
| RD_296380381245_000 | computation | Reference Data From Materials Project: {formula:Li2Ca3Be3Si3(O6F)2,spaceGroup:I2_13,id:mp-560036} |
| RD_297490194732_000 | computation | Reference Data From Materials Project: {formula:Ca9LaTi8Mn2O30,spaceGroup:P1,id:mp-694916} |
| RD_298373315335_000 | computation | Reference Data From Materials Project: {formula:Ca(ZnSb)2,spaceGroup:P-3m1,id:mp-7429} |
| RD_299291522352_000 | computation | Reference Data From Materials Project: {formula:CaSmCd2,spaceGroup:Fm-3m,id:mp-864620} |
| RD_299293700891_000 | computation | Reference Data From Materials Project: {formula:CaCeMg2,spaceGroup:Fm-3m,id:mp-862907} |
| RD_299466501160_000 | computation | Reference Data From Materials Project: {formula:CaSi4CuO10,spaceGroup:P4/ncc,id:mp-6189} |
| RD_299658009117_000 | computation | Reference Data From Materials Project: {formula:Ca(CdP)2,spaceGroup:P-3m1,id:mp-9570} |
| RD_299904216908_000 | computation | Reference Data From Materials Project: {formula:CaInAu2,spaceGroup:Fm-3m,id:mp-861960} |
| RD_299976709104_000 | computation | Reference Data From Materials Project: {formula:KCa4Si8H16O28F,spaceGroup:P4/mnc,id:mp-605239} |
| RD_301438674083_000 | computation | Reference Data From Materials Project: {formula:Ca10Pr4Cu24O41,spaceGroup:Cccm,id:mp-683950} |
| RD_301821874673_000 | computation | Reference Data From Materials Project: {formula:Ca2Bi2O5,spaceGroup:P-1,id:mp-28848} |
| RD_302041088237_000 | computation | Reference Data From Materials Project: {formula:Ca(LaS2)2,spaceGroup:I-42d,id:mp-35421} |
| RD_302423448684_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:C2/c,id:mp-561086} |
| RD_302577082731_000 | computation | Reference Data From Materials Project: {formula:CaSi2,spaceGroup:P-3m1,id:mp-8372} |
| RD_302682636739_000 | computation | CaMg in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_302685412814_000 | computation | Reference Data From Materials Project: {formula:CaMgSiO4,spaceGroup:Pcmn,id:mp-6493} |
| RD_302838761105_000 | computation | Reference Data From Materials Project: {formula:Ca2AsClO4,spaceGroup:Pbcm,id:mp-560595} |
| RD_302903412562_000 | computation | Reference Data From Materials Project: {formula:Ca19Ag8N7,spaceGroup:Fm-3m,id:mp-5669} |
| RD_303392623869_000 | computation | Reference Data From Materials Project: {formula:CaTeO3,spaceGroup:P4_3,id:mp-560656} |
| RD_303681933827_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:P1,id:mp-626317} |
| RD_303850027615_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:P1,id:mp-626279} |
| RD_303850874451_000 | computation | Reference Data From Materials Project: {formula:LiCaAs,spaceGroup:F-43m,id:mp-961684} |
| RD_304610154046_000 | computation | Reference Data From Materials Project: {formula:CaP2(HO2)4,spaceGroup:P-1,id:mp-24361} |
| RD_305067212040_000 | computation | Reference Data From Materials Project: {formula:CaSO4,spaceGroup:Pmcn,id:mp-562260} |
| RD_305386965671_000 | computation | Reference Data From Materials Project: {formula:Ca5FePb3,spaceGroup:P6_3/mcm,id:mp-686764} |
| RD_305425704470_000 | computation | Reference Data From Materials Project: {formula:CaMg(SiO)2,spaceGroup:C2/c,id:mp-554198} |
| RD_305479289461_000 | computation | Reference Data From Materials Project: {formula:CaAl2,spaceGroup:Fd-3m,id:mp-2404} |
| RD_305961026866_000 | computation | Reference Data From Materials Project: {formula:Ca5Te3O14,spaceGroup:Cmce,id:mp-559210} |
| RD_306546635311_000 | computation | Reference Data From Materials Project: {formula:CaRh2,spaceGroup:Fd-3m,id:mp-571262} |
| RD_307127105389_000 | computation | Reference Data From Materials Project: {formula:CaPdF6,spaceGroup:R-3,id:mp-7922} |
| RD_307320925537_000 | computation | Reference Data From Materials Project: {formula:Ca3Al2O6,spaceGroup:Pm-3m,id:mp-640266} |
| RD_307442713005_000 | computation | Reference Data From Materials Project: {formula:SrCa2I6,spaceGroup:P321,id:mp-752695} |
| RD_308154954325_000 | computation | Reference Data From Materials Project: {formula:Ca6La4Ti5Cr5O30,spaceGroup:Pm,id:mp-738745} |
| RD_308862612441_000 | computation | Reference Data From Materials Project: {formula:CaCu3(SnO3)4,spaceGroup:Im3,id:mp-18190} |
| RD_308998583239_000 | computation | Reference Data From Materials Project: {formula:CaH4SO6,spaceGroup:C2/c,id:mp-753183} |
| RD_310452062309_000 | computation | Reference Data From Materials Project: {formula:Ca4Mn4O11,spaceGroup:P2_1,id:mp-698549} |
| RD_310470867432_000 | computation | Reference Data From Materials Project: {formula:Ca3Zn,spaceGroup:Cmcm,id:mp-30485} |
| RD_310924062852_000 | computation | Reference Data From Materials Project: {formula:CaCdPd2,spaceGroup:Fm-3m,id:mp-866279} |
| RD_310994187294_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:P-4b2,id:mp-771570} |
| RD_311026106238_000 | computation | Reference Data From Materials Project: {formula:CaNb2(P2O7)3,spaceGroup:C2/m,id:mp-555424} |
| RD_311304127011_000 | computation | Reference Data From Materials Project: {formula:Ca3In2(SiO4)3,spaceGroup:Ia-3d,id:mp-14052} |
| RD_311585328853_000 | computation | Reference Data From Materials Project: {formula:SrCaSi,spaceGroup:F-43m,id:mp-962057} |
| RD_311609432734_000 | computation | Reference Data From Materials Project: {formula:Ca3Y9Al18CrSiO48,spaceGroup:P1,id:mp-744910} |
| RD_311748017695_000 | computation | Reference Data From Materials Project: {formula:Ba14Na14CaN6,spaceGroup:Fm-3m,id:mp-6645} |
| RD_311890439649_000 | computation | Reference Data From Materials Project: {formula:CaSn3,spaceGroup:Pm-3m,id:mp-11290} |
| RD_313431048229_000 | computation | Reference Data From Materials Project: {formula:CaInPt,spaceGroup:Pmnb,id:mp-570689} |
| RD_313436545790_000 | computation | Reference Data From Materials Project: {formula:CaH12CO9,spaceGroup:C2/c,id:mp-504880} |
| RD_313495373920_000 | computation | Reference Data From Materials Project: {formula:Ca(CeTe2)2,spaceGroup:I-42d,id:mp-675740} |
| RD_313586767949_000 | computation | Reference Data From Materials Project: {formula:Ca4Sn5S14,spaceGroup:Pcab,id:mp-867030} |
| RD_313626778836_000 | computation | Reference Data From Materials Project: {formula:CaMg2H24(ClO2)6,spaceGroup:P-1,id:mp-735491} |
| RD_313897520218_000 | computation | Reference Data From Materials Project: {formula:CaSO4,spaceGroup:P6_422,id:mp-556372} |
| RD_313920256987_000 | computation | Reference Data From Materials Project: {formula:CaZrO3,spaceGroup:Pm-3m,id:mp-542112} |
| RD_313975097588_000 | computation | Reference Data From Materials Project: {formula:CaMg2,spaceGroup:P6_3/mmc,id:mp-2432} |
| RD_315105555519_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6O13,spaceGroup:I-43m,id:mp-7531} |
| RD_315495976929_000 | computation | Reference Data From Materials Project: {formula:Na2CaV4O12,spaceGroup:P4/nbm,id:mp-25134} |
| RD_315589599586_000 | computation | Reference Data From Materials Project: {formula:PmCaAu2,spaceGroup:Fm-3m,id:mp-862882} |
| RD_315693343432_000 | computation | Reference Data From Materials Project: {formula:Ca(AsRu)2,spaceGroup:I4/mmm,id:mp-5610} |
| RD_316472162297_000 | computation | Reference Data From Materials Project: {formula:CaSO4,spaceGroup:P6_222,id:mp-3082} |
| RD_316528855097_000 | computation | Reference Data From Materials Project: {formula:LiCa9Co(PO4)7,spaceGroup:R3c,id:mp-699599} |
| RD_316603271818_000 | computation | Reference Data From Materials Project: {formula:Ca18Nd2Si3P9(O16F)3,spaceGroup:Pm,id:mp-534782} |
| RD_316735102615_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:P-3m1,id:mp-569912} |
| RD_318138255492_000 | computation | Reference Data From Materials Project: {formula:CaAlSi,spaceGroup:P-6m2,id:mp-3173} |
| RD_320163847597_000 | computation | Reference Data From Materials Project: {formula:Ca7Cu17O24,spaceGroup:Pmm2,id:mp-765523} |
| RD_320277765151_000 | computation | Reference Data From Materials Project: {formula:Ca3AsCl3,spaceGroup:Pm-3m,id:mp-28069} |
| RD_320342522784_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_320900461131_000 | computation | Reference Data From Materials Project: {formula:Ca5Bi3,spaceGroup:Pcmn,id:mp-27145} |
| RD_321149277669_000 | computation | Reference Data From Materials Project: {formula:CaLaMg2,spaceGroup:Fm-3m,id:mp-861643} |
| RD_321153269777_000 | computation | Reference Data From Materials Project: {formula:NaCa3RuO6,spaceGroup:R-3c,id:mp-6281} |
| RD_321204931221_000 | computation | Reference Data From Materials Project: {formula:CaNiTe,spaceGroup:F-43m,id:mp-961667} |
| RD_321423656160_000 | computation | Reference Data From Materials Project: {formula:Ca(PIr)2,spaceGroup:P3_221,id:mp-11168} |
| RD_321541445653_000 | computation | Reference Data From Materials Project: {formula:Na3CaAl4Si8ClO24,spaceGroup:P1,id:mp-684921} |
| RD_321689656864_000 | computation | Reference Data From Materials Project: {formula:CaU2Si2H12O17,spaceGroup:P2_1,id:mp-730691} |
| RD_323053166051_000 | computation | Reference Data From Materials Project: {formula:Ba3CaRu2O9,spaceGroup:P6_3/mmc,id:mp-6443} |
| RD_323284281265_000 | computation | Reference Data From Materials Project: {formula:CaSi2,spaceGroup:I4_1/amd,id:mp-862} |
| RD_323472295807_000 | computation | Reference Data From Materials Project: {formula:CaLaZn2,spaceGroup:Fm-3m,id:mp-862962} |
| RD_323847548455_000 | computation | Ca in AFLOW crystal prototype A_tI2_139_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': 0} |
| RD_323994000184_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:P-6m2,id:mp-567974} |
| RD_324236254716_000 | computation | Reference Data From Materials Project: {formula:SrCaPb,spaceGroup:Pmnb,id:mp-21166} |
| RD_324634476484_000 | computation | Reference Data From Materials Project: {formula:CaPrMn2O6,spaceGroup:P2_1nm,id:mp-40630} |
| RD_325269142777_000 | computation | Reference Data From Materials Project: {formula:CaCuAs,spaceGroup:P6_3/mmc,id:mp-4120} |
| RD_325437904616_000 | computation | Reference Data From Materials Project: {formula:CaLaAg2,spaceGroup:Fm-3m,id:mp-862795} |
| RD_325470881787_000 | computation | Reference Data From Materials Project: {formula:Na2LiCaVP2O9,spaceGroup:P2_1cn,id:mp-763838} |
| RD_325991976346_000 | computation | Reference Data From Materials Project: {formula:Li2CaGe,spaceGroup:Fm-3m,id:mp-865986} |
| RD_326200677864_000 | computation | Reference Data From Materials Project: {formula:Ca(AsO3)2,spaceGroup:P-31m,id:mp-4555} |
| RD_326314186914_000 | computation | Reference Data From Materials Project: {formula:CaC2(SN)2,spaceGroup:C2/c,id:mp-11009} |
| RD_326687418631_000 | computation | Reference Data From Materials Project: {formula:CaAl9Co2,spaceGroup:P6/mmm,id:mp-11350} |
| RD_327076294840_000 | computation | Reference Data From Materials Project: {formula:Ca(BRh)2,spaceGroup:Fddd,id:mp-8431} |
| RD_327939176727_000 | computation | Reference Data From Materials Project: {formula:PmCaPt2,spaceGroup:Fm-3m,id:mp-862886} |
| RD_328701535288_000 | computation | Reference Data From Materials Project: {formula:CaPt2,spaceGroup:Fd-3m,id:mp-842} |
| RD_328914255198_000 | computation | Reference Data From Materials Project: {formula:Ca2IN,spaceGroup:P6_3/mmc,id:mp-28553} |
| RD_329016518571_000 | computation | Reference Data From Materials Project: {formula:CaMn4(CuO4)3,spaceGroup:Im3,id:mp-510570} |
| RD_329050723069_000 | computation | Reference Data From Materials Project: {formula:CaLaI5,spaceGroup:Cmcm,id:mp-772082} |
| RD_329174843797_000 | computation | Reference Data From Materials Project: {formula:Ca3TeO6,spaceGroup:P2_1/c,id:mp-5279} |
| RD_329195264025_000 | computation | Reference Data From Materials Project: {formula:Ca3La5Mn6(CuO12)2,spaceGroup:P1,id:mp-706245} |
| RD_329486055758_000 | computation | Reference Data From Materials Project: {formula:CaSi2(BO4)2,spaceGroup:Pmnb,id:mp-6419} |
| RD_329486429399_000 | computation | Reference Data From Materials Project: {formula:CaMg2Ni9,spaceGroup:R-3m,id:mp-12695} |
| RD_329731528765_000 | computation | Reference Data From Materials Project: {formula:LiCaUF8,spaceGroup:I-4,id:mp-632402} |
| RD_329891433613_000 | computation | Reference Data From Materials Project: {formula:CaTiO3,spaceGroup:I4/mcm,id:mp-3442} |
| RD_329917419268_000 | computation | Reference Data From Materials Project: {formula:Ca9Cr(PO4)7,spaceGroup:R3c,id:mp-565894} |
| RD_330192219977_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:C2/c,id:mp-773900} |
| RD_330620727516_000 | computation | Reference Data From Materials Project: {formula:CaAl2Si3H6O13,spaceGroup:Cc,id:mp-707746} |
| RD_330659827721_000 | computation | Reference Data From Materials Project: {formula:Ca6Ag16N,spaceGroup:Im-3m,id:mp-542496} |
| RD_331490858860_000 | computation | Reference Data From Materials Project: {formula:Ca5(CoN2)2,spaceGroup:P4/ncc,id:mp-569383} |
| RD_331930356450_000 | computation | Reference Data From Materials Project: {formula:Ca5Si2HO9F,spaceGroup:P2_1,id:mp-695314} |
| RD_334715963688_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P-4b2,id:mp-766351} |
| RD_335689540772_000 | computation | Reference Data From Materials Project: {formula:Ca3FeRhO6,spaceGroup:R-3c,id:mp-18843} |
| RD_336089067512_000 | computation | Reference Data From Materials Project: {formula:Ca(CuGe)2,spaceGroup:I4/mmm,id:mp-4441} |
| RD_336107929661_000 | computation | Reference Data From Materials Project: {formula:CaV2(PO5)2,spaceGroup:F2dd,id:mp-566640} |
| RD_336255382835_000 | computation | Reference Data From Materials Project: {formula:CaI2,spaceGroup:P-3m1,id:mp-30031} |
| RD_336698090169_000 | computation | Reference Data From Materials Project: {formula:LiCaPb,spaceGroup:P-6m2,id:mp-20998} |
| RD_337015926558_000 | computation | Reference Data From Materials Project: {formula:Ca3AlAs3,spaceGroup:Pmnb,id:mp-17186} |
| RD_337057789827_000 | computation | Reference Data From Materials Project: {formula:Ba14Na21CaN6,spaceGroup:C2/m,id:mp-570644} |
| RD_337770537300_000 | computation | Reference Data From Materials Project: {formula:Ca11Ga7,spaceGroup:Fm-3m,id:mp-30474} |
| RD_337841321174_000 | computation | Reference Data From Materials Project: {formula:CaHfBe,spaceGroup:F-43m,id:mp-631479} |
| RD_337841750683_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_338854930420_000 | computation | Reference Data From Materials Project: {formula:CaRe2Si,spaceGroup:Fm-3m,id:mp-631420} |
| RD_339085758101_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:P2_1/c,id:mp-766359} |
| RD_339635052777_000 | computation | Reference Data From Materials Project: {formula:Ca5P3O12F,spaceGroup:P6_3/m,id:mp-6473} |
| RD_339690371015_000 | computation | Reference Data From Materials Project: {formula:Ca6HfO8,spaceGroup:Fm-3m,id:mp-755421} |
| RD_339814558450_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:Pnam,id:mp-560885} |
| RD_340010037927_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:Pmcb,id:mp-866470} |
| RD_340311814535_000 | computation | Reference Data From Materials Project: {formula:Ca3Ga2(SiO4)3,spaceGroup:Ia-3d,id:mp-14050} |
| RD_341487288673_000 | computation | Reference Data From Materials Project: {formula:CaSiPt,spaceGroup:P2_13,id:mp-4478} |
| RD_341728711448_000 | computation | Reference Data From Materials Project: {formula:Ca(CdSb)2,spaceGroup:P-3m1,id:mp-7430} |
| RD_342382201417_000 | computation | Reference Data From Materials Project: {formula:Ca2Sb4Pd3,spaceGroup:I4/mmm,id:mp-571215} |
| RD_342533683063_000 | computation | Reference Data From Materials Project: {formula:K2CaH8(N3O)4,spaceGroup:Ccce,id:mp-707762} |
| RD_342955470703_000 | computation | Reference Data From Materials Project: {formula:LiCa2Nb3O10,spaceGroup:Pc,id:mp-773024} |
| RD_343299016584_000 | computation | Reference Data From Materials Project: {formula:Ba3CaRu2O9,spaceGroup:P-3m1,id:mp-12832} |
| RD_343368506256_000 | computation | Reference Data From Materials Project: {formula:Li4Ca3(SiN3)2,spaceGroup:C2/m,id:mp-567219} |
| RD_343640599820_000 | computation | Reference Data From Materials Project: {formula:BaCa(CO3)2,spaceGroup:P2_1,id:mp-644852} |
| RD_343784514904_000 | computation | Reference Data From Materials Project: {formula:Ca6Si2H6O13,spaceGroup:P-3,id:mp-697022} |
| RD_344344956896_000 | computation | Reference Data From Materials Project: {formula:Ca10Mg7Al6Si17O60,spaceGroup:P1,id:mp-677026} |
| RD_345061760619_000 | computation | Ca in AFLOW crystal prototype A_oC2_65_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': 0} |
| RD_345884789455_000 | computation | Reference Data From Materials Project: {formula:CaGa2Cu3(SbO6)2,spaceGroup:Pn3,id:mp-41331} |
| RD_346534951167_000 | computation | Reference Data From Materials Project: {formula:Ca3Si2Ni3,spaceGroup:Pmnb,id:mp-542138} |
| RD_347749377724_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:P2_1/c,id:mp-866495} |
| RD_348221575453_000 | computation | Reference Data From Materials Project: {formula:SrCa2In2Ge,spaceGroup:Ccmm,id:mp-619206} |
| RD_348626746795_000 | computation | Reference Data From Materials Project: {formula:Ca2B4Rh5,spaceGroup:Fmmm,id:mp-8895} |
| RD_349175762379_000 | computation | Reference Data From Materials Project: {formula:Ca3BN3,spaceGroup:P4/mmm,id:mp-30315} |
| RD_349186178519_000 | computation | Reference Data From Materials Project: {formula:Ca2Nb2O7,spaceGroup:Fd-3m,id:mp-4155} |
| RD_349222419955_000 | computation | Reference Data From Materials Project: {formula:Ca2H2S2O9,spaceGroup:C2,id:mp-696075} |
| RD_349290245223_000 | computation | Ca in AFLOW crystal prototype A_tI2_139_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': 0} |
| RD_350570079760_000 | computation | Reference Data From Materials Project: {formula:CaZn2,spaceGroup:P6_3/mmc,id:mp-13364} |
| RD_351155865216_000 | computation | Reference Data From Materials Project: {formula:Ca3SnO,spaceGroup:Pm-3m,id:mp-29241} |
| RD_351267666445_000 | computation | Reference Data From Materials Project: {formula:Ba4Ca4Tl3Cu6O19,spaceGroup:I4/mmm,id:mp-542197} |
| RD_351276203723_000 | computation | Reference Data From Materials Project: {formula:Ca4Al2H22CO20,spaceGroup:P1,id:mp-707897} |
| RD_351717020329_000 | computation | Reference Data From Materials Project: {formula:CaCO3,spaceGroup:C222_1,id:mp-548403} |
| RD_352162906855_000 | computation | Reference Data From Materials Project: {formula:Li2Ca,spaceGroup:P6_3/mmc,id:mp-570466} |
| RD_352340150924_000 | computation | Reference Data From Materials Project: {formula:CaMn6SiO12,spaceGroup:I4_1/acd,id:mp-565446} |
| RD_353086186976_000 | computation | Reference Data From Materials Project: {formula:CaLaMg2,spaceGroup:Fm-3m,id:mp-861643} |
| RD_354540103295_000 | computation | Reference Data From Materials Project: {formula:Ca(BeN)2,spaceGroup:I4/mcm,id:mp-11918} |
| RD_354681259228_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:P2_1/m,id:mp-866834} |
| RD_354789347531_000 | computation | Reference Data From Materials Project: {formula:Li2CaGe,spaceGroup:Fm-3m,id:mp-865986} |
| RD_354797764945_000 | computation | Reference Data From Materials Project: {formula:Ca5Zn3,spaceGroup:I4/mcm,id:mp-2786} |
| RD_354806010656_000 | computation | Reference Data From Materials Project: {formula:Ca3Mg3(PO4)4,spaceGroup:C2/c,id:mp-646967} |
| RD_355198709390_000 | computation | Reference Data From Materials Project: {formula:CaLaZn2,spaceGroup:Fm-3m,id:mp-862962} |
| RD_355762708630_000 | computation | Reference Data From Materials Project: {formula:NaCaAlF6,spaceGroup:P321,id:mp-17944} |
| RD_356251388932_000 | computation | Reference Data From Materials Project: {formula:Ca7Tl3N2,spaceGroup:Cmmm,id:mp-30961} |
| RD_356582502604_000 | computation | Reference Data From Materials Project: {formula:Ca(CdAs)2,spaceGroup:P-3m1,id:mp-7067} |
| RD_358652668112_000 | computation | Reference Data From Materials Project: {formula:CaTi4(FeO4)3,spaceGroup:Im3,id:mp-24950} |
| RD_358713695560_000 | computation | Reference Data From Materials Project: {formula:CaGeAu,spaceGroup:Pmcn,id:mp-21710} |
| RD_359346881571_000 | computation | Reference Data From Materials Project: {formula:CsCaCO3F,spaceGroup:P-62m,id:mp-862701} |
| RD_359378847226_000 | computation | Reference Data From Materials Project: {formula:Ca(SmS2)2,spaceGroup:I-42d,id:mp-36100} |
| RD_360200078014_000 | computation | CaH in AFLOW crystal prototype AB2_oP12_62_c_2c (metal-oxide; O2Pr1, ICSD #380398). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_360525936565_000 | computation | Reference Data From Materials Project: {formula:CaGdTh(PO4)3,spaceGroup:P1,id:mp-695308} |
| RD_361054460425_000 | computation | Reference Data From Materials Project: {formula:Li6CaCeO6,spaceGroup:P-31c,id:mp-556301} |
| RD_361243629501_000 | computation | Reference Data From Materials Project: {formula:CaNb2Ga2(CuO4)3,spaceGroup:Pn3,id:mp-686705} |
| RD_361261124163_000 | computation | Reference Data From Materials Project: {formula:Li2CaGeO4,spaceGroup:I-42m,id:mp-7611} |
| RD_361774880752_000 | computation | Reference Data From Materials Project: {formula:Ca6Sn5S16,spaceGroup:I4/mmm,id:mp-866538} |
| RD_361991160168_000 | computation | Reference Data From Materials Project: {formula:CaTeO3,spaceGroup:P2_1/c,id:mp-560097} |
| RD_362234098231_000 | computation | Reference Data From Materials Project: {formula:CaThRh2,spaceGroup:Fm-3m,id:mp-866282} |
| RD_362467000925_000 | computation | Reference Data From Materials Project: {formula:Yb2Ca3Zr3Ti8O28,spaceGroup:P1,id:mp-676491} |
| RD_362851015678_000 | computation | Reference Data From Materials Project: {formula:CaAsH3O5,spaceGroup:Pcnb,id:mp-721328} |
| RD_362869521937_000 | computation | Reference Data From Materials Project: {formula:CaZn13,spaceGroup:Fm-3c,id:mp-672227} |
| RD_363102165637_000 | computation | Reference Data From Materials Project: {formula:Na2CaPO4F,spaceGroup:P2_1/c,id:mp-559376} |
| RD_363281867191_000 | computation | Reference Data From Materials Project: {formula:Ca(BeGe)2,spaceGroup:P4/nmm,id:mp-31209} |
| RD_364857170357_000 | experiment | Experimental data collected from reference material at the University of Minnesota. Original source needs to be checked to verify ensemble and error values. |
| RD_365171622794_000 | computation | Reference Data From Materials Project: {formula:CaAl4O7,spaceGroup:C2/c,id:mp-4867} |
| RD_366181306234_000 | computation | Reference Data From Materials Project: {formula:Ca5Y3Ti5Mn3O24,spaceGroup:P1,id:mp-743716} |
| RD_366710826813_000 | computation | Reference Data From Materials Project: {formula:CaH12(BrO3)2,spaceGroup:P321,id:mp-24044} |
| RD_366783572504_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca2Cu3HgO8,spaceGroup:P4/mmm,id:mp-22601} |
| RD_367135140265_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:Cmce,id:mp-768570} |
| RD_367228166547_000 | computation | Reference Data From Materials Project: {formula:Ca2TaMnO6,spaceGroup:P2_1/m,id:mp-572324} |
| RD_367524920460_000 | computation | Reference Data From Materials Project: {formula:NaCa4Si8H16O28F,spaceGroup:Pnnm,id:mp-722188} |
| RD_367581730851_000 | computation | Reference Data From Materials Project: {formula:Ca3PbN,spaceGroup:Pm-3m,id:mp-21128} |
| RD_367758882494_000 | computation | Ca in AFLOW crystal prototype A_tI2_139_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': 0} |
| RD_367766885767_000 | computation | Reference Data From Materials Project: {formula:Ca2MgTl,spaceGroup:Fm-3m,id:mp-861645} |
| RD_368466453399_000 | computation | Reference Data From Materials Project: {formula:Na5Ca6Nd5Zr16O48,spaceGroup:Pm,id:mp-695571} |
| RD_368503592223_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_368533878168_000 | computation | Reference Data From Materials Project: {formula:Ca(ZnSb)2,spaceGroup:P-3m1,id:mp-7429} |
| RD_368741413490_000 | computation | Reference Data From Materials Project: {formula:CaCu5,spaceGroup:P6/mmm,id:mp-1882} |
| RD_370194009889_000 | computation | Reference Data From Materials Project: {formula:Ca2GeS4,spaceGroup:Pcmn,id:mp-540773} |
| RD_370225456422_000 | computation | Reference Data From Materials Project: {formula:NaCa4(BO3)3,spaceGroup:C2cm,id:mp-554240} |
| RD_371587453979_000 | computation | Reference Data From Materials Project: {formula:CaCO3,spaceGroup:C2,id:mp-561412} |
| RD_371622028208_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:Pmnb,id:mp-866811} |
| RD_372135323721_000 | computation | Reference Data From Materials Project: {formula:Ca2Cu6P5,spaceGroup:I4/mmm,id:mp-28660} |
| RD_373716418598_000 | computation | Ca in AFLOW crystal prototype A_cI2_229_a (Body-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_373801823096_000 | computation | Reference Data From Materials Project: {formula:Ca4Mn2O7,spaceGroup:Ccme,id:mp-18952} |
| RD_374759161275_000 | computation | Reference Data From Materials Project: {formula:Ca4Y2Al7Cr2SiO24,spaceGroup:P1,id:mp-743704} |
| RD_375154921433_000 | computation | Reference Data From Materials Project: {formula:Ca2Pb,spaceGroup:Pmnb,id:mp-30478} |
| RD_376116252050_000 | computation | Reference Data From Materials Project: {formula:Ca2Y2Si4H2CO16,spaceGroup:Pmnb,id:mp-720719} |
| RD_376598161947_000 | computation | Reference Data From Materials Project: {formula:Ca2IrO4,spaceGroup:P-62m,id:mp-540806} |
| RD_376981804292_000 | computation | Reference Data From Materials Project: {formula:CaH4SO6,spaceGroup:C2/c,id:mp-23690} |
| RD_377287138870_000 | computation | Reference Data From Materials Project: {formula:Ca3Nb4(O6F)2,spaceGroup:P4_332,id:mp-554801} |
| RD_377298713936_000 | computation | Reference Data From Materials Project: {formula:Li2CaPb,spaceGroup:Fm-3m,id:mp-865892} |
| RD_377372375867_000 | computation | Reference Data From Materials Project: {formula:Ca2NbInO6,spaceGroup:P2_1/c,id:mp-560645} |
| RD_377570949629_000 | computation | Reference Data From Materials Project: {formula:CaSmRh2,spaceGroup:Fm-3m,id:mp-866280} |
| RD_377627238732_000 | computation | Reference Data From Materials Project: {formula:LiCa10MgSb9,spaceGroup:P4_2/mnm,id:mp-569282} |
| RD_377858102613_000 | computation | Reference Data From Materials Project: {formula:Ca3TiAl2Si3O13F2,spaceGroup:P-1,id:mp-43114} |
| RD_377943576853_000 | computation | Reference Data From Materials Project: {formula:Ca3SiH30CSO25,spaceGroup:P6_3,id:mp-541025} |
| RD_378160228717_000 | computation | Reference Data From Materials Project: {formula:CaTi4(CuO4)3,spaceGroup:Im-3m,id:mp-647452} |
| RD_378642956034_000 | computation | Reference Data From Materials Project: {formula:Ca2Cu(ClO)2,spaceGroup:I4/mmm,id:mp-23143} |
| RD_378772778869_000 | computation | Reference Data From Materials Project: {formula:Ca2MgSi2O7,spaceGroup:P-42_1m,id:mp-6094} |
| RD_378850468754_000 | computation | Ca in AFLOW crystal prototype A_cI2_229_a (Body-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_378889170940_000 | computation | Reference Data From Materials Project: {formula:CaSmMnSnO6,spaceGroup:Pc,id:mp-698702} |
| RD_379396846308_000 | computation | Reference Data From Materials Project: {formula:Ba14Na17CaN6,spaceGroup:P-1,id:mp-542834} |
| RD_379810618104_000 | computation | Reference Data From Materials Project: {formula:Ca21(Mn2Sb9)2,spaceGroup:C2/m,id:mp-581681} |
| RD_379958804849_000 | computation | Reference Data From Materials Project: {formula:CaH12(ClO3)2,spaceGroup:P321,id:mp-23914} |
| RD_380953748325_000 | computation | Reference Data From Materials Project: {formula:Li2CaGe,spaceGroup:Fm-3m,id:mp-865986} |
| RD_381054922255_000 | computation | Reference Data From Materials Project: {formula:CaSmHg2,spaceGroup:Fm-3m,id:mp-866014} |
| RD_381829924937_000 | computation | Reference Data From Materials Project: {formula:Ca(BO2)2,spaceGroup:Pa3,id:mp-13827} |
| RD_381833484575_000 | computation | Reference Data From Materials Project: {formula:CaAsH5O6,spaceGroup:Cc,id:mp-24120} |
| RD_382080533783_000 | computation | Reference Data From Materials Project: {formula:CaHf4O9,spaceGroup:C2/c,id:mp-558164} |
| RD_383631196809_000 | computation | Reference Data From Materials Project: {formula:Ca2Ta2O6F,spaceGroup:Fd-3m,id:mp-14560} |
| RD_384948990581_000 | computation | Reference Data From Materials Project: {formula:CaGa,spaceGroup:Ccmm,id:mp-6914} |
| RD_385165929760_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:Cmc2_1,id:mp-753610} |
| RD_387624927399_000 | computation | CaSi 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': 0} |
| RD_387688383663_000 | computation | Reference Data From Materials Project: {formula:LiCaGe2,spaceGroup:Pmnb,id:mp-13917} |
| RD_387810492196_000 | computation | Reference Data From Materials Project: {formula:Ca(HO)2,spaceGroup:P2_1/c,id:mp-643392} |
| RD_388084667311_000 | computation | Reference Data From Materials Project: {formula:CaCu9Sn4,spaceGroup:I4/mcm,id:mp-571034} |
| RD_388152635521_000 | computation | Reference Data From Materials Project: {formula:Ca4PtO6,spaceGroup:R-3c,id:mp-8568} |
| RD_388367790803_000 | computation | Reference Data From Materials Project: {formula:CaTl3,spaceGroup:Pm-3m,id:mp-526} |
| RD_388477982651_000 | computation | Reference Data From Materials Project: {formula:CaCuO2,spaceGroup:P22_12_1,id:mp-554775} |
| RD_388844426499_000 | computation | Reference Data From Materials Project: {formula:Ca9Zn4Bi9,spaceGroup:Pmcb,id:mp-27262} |
| RD_389556507515_000 | computation | Reference Data From Materials Project: {formula:Ca3C3Cl2,spaceGroup:Cmcm,id:mp-28160} |
| RD_390638227579_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:Cm,id:mp-568791} |
| RD_391288895263_000 | computation | Reference Data From Materials Project: {formula:CaDyHg2,spaceGroup:Fm-3m,id:mp-866228} |
| RD_391501526293_000 | computation | Reference Data From Materials Project: {formula:CaH20C4S4(NO6)2,spaceGroup:P-1,id:mp-24272} |
| RD_391579149467_000 | computation | Reference Data From Materials Project: {formula:Ca3Sc2(SiO4)3,spaceGroup:Ia-3d,id:mp-6255} |
| RD_391610490637_000 | computation | Reference Data From Materials Project: {formula:CaZn,spaceGroup:Ccmm,id:mp-30483} |
| RD_391835684103_000 | computation | Reference Data From Materials Project: {formula:Ca4Mn3O10,spaceGroup:Pcab,id:mp-565885} |
| RD_392182401731_000 | computation | Reference Data From Materials Project: {formula:NaCaFe2(SiO3)4,spaceGroup:C2,id:mp-694890} |
| RD_392382486566_000 | computation | Reference Data From Materials Project: {formula:BaCaAlF7,spaceGroup:P2/c,id:mp-18065} |
| RD_392466934386_000 | computation | Reference Data From Materials Project: {formula:Ca3N2,spaceGroup:P-3m1,id:mp-13146} |
| RD_393136814230_000 | computation | Reference Data From Materials Project: {formula:CaPrHg2,spaceGroup:Fm-3m,id:mp-867217} |
| RD_393219056198_000 | computation | Reference Data From Materials Project: {formula:Na2Ca(AsO3)4,spaceGroup:P4/nbm,id:mp-560545} |
| RD_393301329474_000 | computation | Ca in AFLOW crystal prototype A_hP1_191_a (Simple Hexagonal Lattice). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_394030905714_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6WO16,spaceGroup:Cc2e,id:mp-579270} |
| RD_394189766591_000 | computation | Reference Data From Materials Project: {formula:Ca3PI3,spaceGroup:I4_132,id:mp-27272} |
| RD_394782858174_000 | computation | Reference Data From Materials Project: {formula:LiCaPb,spaceGroup:P-6m2,id:mp-20998} |
| RD_395129722762_000 | computation | Reference Data From Materials Project: {formula:CaCd,spaceGroup:Pm-3m,id:mp-1073} |
| RD_395337270146_000 | computation | Reference Data From Materials Project: {formula:CaSbAu,spaceGroup:P6_3/mmc,id:mp-16245} |
| RD_395774356986_000 | computation | Reference Data From Materials Project: {formula:Ca3CoRhO6,spaceGroup:C2/c,id:mp-555261} |
| RD_395859958009_000 | computation | Reference Data From Materials Project: {formula:Ca(HO)2,spaceGroup:P3m1,id:mp-626643} |
| RD_398063189136_000 | computation | Reference Data From Materials Project: {formula:Ca(MnAs)2,spaceGroup:P-3m1,id:mp-5498} |
| RD_398365206166_000 | computation | Reference Data From Materials Project: {formula:Ca(CdSb)2,spaceGroup:P-3m1,id:mp-7430} |
| RD_398536320820_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:Cc,id:mp-626230} |
| RD_398573528847_000 | computation | Reference Data From Materials Project: {formula:SrCa2I6,spaceGroup:P321,id:mp-752695} |
| RD_398782374656_000 | computation | Reference Data From Materials Project: {formula:Ca6FeN5,spaceGroup:P6_3/mcm,id:mp-16916} |
| RD_399174370752_000 | computation | Reference Data From Materials Project: {formula:Ca6GaN5,spaceGroup:P6_3/mcm,id:mp-17875} |
| RD_399462346649_000 | computation | Reference Data From Materials Project: {formula:Ca2SiB2O7,spaceGroup:P-42_1m,id:mp-752851} |
| RD_399483250556_000 | computation | Reference Data From Materials Project: {formula:Ca10V6O25,spaceGroup:P3,id:mp-891956} |
| RD_399659146132_000 | computation | CaZn in AFLOW crystal prototype AB2_oI12_74_e_h (KHg2/CeCu2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_399843480166_000 | computation | Reference Data From Materials Project: {formula:CaC2,spaceGroup:C2/c,id:mp-1575} |
| RD_400776923825_000 | computation | Reference Data From Materials Project: {formula:Ca(ZnAs)2,spaceGroup:P-3m1,id:mp-9571} |
| RD_400834964975_000 | computation | Reference Data From Materials Project: {formula:Ca(BS2)2,spaceGroup:Pa3,id:mp-30958} |
| RD_400969335640_000 | computation | Reference Data From Materials Project: {formula:Ca(CuP)2,spaceGroup:I4/mmm,id:mp-7422} |
| RD_401086315351_000 | computation | Reference Data From Materials Project: {formula:CaTmPt2,spaceGroup:Fm-3m,id:mp-866226} |
| RD_401810849473_000 | computation | Reference Data From Materials Project: {formula:Ca5P3O12F,spaceGroup:P6_3/m,id:mp-6473} |
| RD_402192517420_000 | computation | Reference Data From Materials Project: {formula:Ca2Nd2Nb3FeO14,spaceGroup:P2/c,id:mp-40206} |
| RD_402275934305_000 | computation | Reference Data From Materials Project: {formula:CaHg2,spaceGroup:P6/mmm,id:mp-11287} |
| RD_402397231364_000 | computation | Reference Data From Materials Project: {formula:Ca5(GaAs3)2,spaceGroup:Pmcb,id:mp-17558} |
| RD_402564640047_000 | computation | Reference Data From Materials Project: {formula:Ca10P6O25,spaceGroup:P-6,id:mp-29760} |
| RD_404220880900_000 | computation | Reference Data From Materials Project: {formula:Ca2HoF7,spaceGroup:Cm,id:mp-676867} |
| RD_404250089683_000 | computation | Reference Data From Materials Project: {formula:CaAcZn2,spaceGroup:Fm-3m,id:mp-864962} |
| RD_404281907401_000 | computation | Reference Data From Materials Project: {formula:CaCeHg2,spaceGroup:Fm-3m,id:mp-866040} |
| RD_404603740852_000 | computation | Reference Data From Materials Project: {formula:SrCa(CO3)2,spaceGroup:Pmc2_1,id:mp-559653} |
| RD_404719874890_000 | computation | Reference Data From Materials Project: {formula:Ca3PbO,spaceGroup:Pm-3m,id:mp-20273} |
| RD_404752399576_000 | computation | Reference Data From Materials Project: {formula:Ca4I6O,spaceGroup:P6_3mc,id:mp-755949} |
| RD_405122794462_000 | computation | Reference Data From Materials Project: {formula:Li2CaIn,spaceGroup:Fm-3m,id:mp-865890} |
| RD_405543681122_000 | computation | Reference Data From Materials Project: {formula:CaSmCuClO3,spaceGroup:P4/nmm,id:mp-620364} |
| RD_405961359651_000 | computation | Reference Data From Materials Project: {formula:BaCaBO3F,spaceGroup:P1,id:mp-694911} |
| RD_406612064217_000 | computation | Reference Data From Materials Project: {formula:NaCaMgAl(SiO3)4,spaceGroup:Pc,id:mp-720244} |
| RD_407453399396_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ca, hcp Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-132) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_407722160988_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:P-31m,id:mp-754710} |
| RD_407980716937_000 | computation | Reference Data From Materials Project: {formula:Ca3Pb3I14,spaceGroup:P2_1/m,id:mp-771827} |
| RD_408545190269_000 | computation | Reference Data From Materials Project: {formula:K2CaNi(NO2)6,spaceGroup:Fm3,id:mp-25101} |
| RD_408621557320_000 | computation | Reference Data From Materials Project: {formula:CaCeO3,spaceGroup:Pbnm,id:mp-756365} |
| RD_409284980141_000 | computation | Reference Data From Materials Project: {formula:CaNi5,spaceGroup:P6/mmm,id:mp-774} |
| RD_409291499435_000 | computation | Reference Data From Materials Project: {formula:CaZn(SiO3)2,spaceGroup:C2/c,id:mp-6693} |
| RD_409355171308_000 | computation | Reference Data From Materials Project: {formula:Ca4MgAl3,spaceGroup:Pmca,id:mp-640340} |
| RD_410405590941_000 | computation | Ca in AFLOW crystal prototype A_tI2_139_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': 0} |
| RD_410531234457_000 | computation | Reference Data From Materials Project: {formula:Ca5(Ga3O7)2,spaceGroup:Cmc2_1,id:mp-3080} |
| RD_410549747484_000 | computation | Reference Data From Materials Project: {formula:CaB2(H6O5)2,spaceGroup:P2/c,id:mp-554736} |
| RD_410804523804_000 | computation | Reference Data From Materials Project: {formula:CaMn4(CuO4)3,spaceGroup:Im3,id:mp-510570} |
| RD_410960358167_000 | computation | Reference Data From Materials Project: {formula:Ca(SbO3)2,spaceGroup:P-31m,id:mp-9125} |
| RD_411249873904_000 | computation | Reference Data From Materials Project: {formula:CaTl2O4,spaceGroup:Cmcm,id:mp-5402} |
| RD_411658045909_000 | computation | Reference Data From Materials Project: {formula:Ca2SnO4,spaceGroup:Pmcb,id:mp-4747} |
| RD_413415623054_000 | computation | Reference Data From Materials Project: {formula:CaBe3O4,spaceGroup:P-62c,id:mp-754739} |
| RD_413760640721_000 | computation | Reference Data From Materials Project: {formula:Na2CaSn2(GeO4)3,spaceGroup:I4_1/acd,id:mp-677095} |
| RD_414695075729_000 | computation | Reference Data From Materials Project: {formula:Ca2MnO4,spaceGroup:I4_1/acd,id:mp-19050} |
| RD_414712724739_000 | computation | Reference Data From Materials Project: {formula:Ca2BrN,spaceGroup:R-3m,id:mp-23009} |
| RD_414729834217_000 | computation | Reference Data From Materials Project: {formula:Ca2MnGaO5,spaceGroup:Pnam,id:mp-630403} |
| RD_414930514952_000 | computation | Reference Data From Materials Project: {formula:CaZnSi,spaceGroup:P6_3/mmc,id:mp-16266} |
| RD_415250706793_000 | computation | Reference Data From Materials Project: {formula:Ca2SiCl2O3,spaceGroup:I4,id:mp-556364} |
| RD_415628030594_000 | computation | Reference Data From Materials Project: {formula:Ca9Fe(PO4)7,spaceGroup:R3c,id:mp-566672} |
| RD_416308522092_000 | computation | Reference Data From Materials Project: {formula:Ca3Sn2S7,spaceGroup:Pmmm,id:mp-866493} |
| RD_416928425396_000 | computation | Reference Data From Materials Project: {formula:NaCa9Co(PO4)7,spaceGroup:R3c,id:mp-699583} |
| RD_416930967668_000 | computation | Reference Data From Materials Project: {formula:CaNiO3,spaceGroup:P6_3mc,id:mp-770252} |
| RD_417724915945_000 | computation | Reference Data From Materials Project: {formula:Li2CaPb,spaceGroup:Fm-3m,id:mp-865892} |
| RD_418950442058_000 | computation | Reference Data From Materials Project: {formula:CaAl9Co2,spaceGroup:P6/mmm,id:mp-11350} |
| RD_419598048681_000 | computation | Reference Data From Materials Project: {formula:CaNdHg2,spaceGroup:Fm-3m,id:mp-865955} |
| RD_419654995518_000 | computation | Reference Data From Materials Project: {formula:Ca5Ge3O11,spaceGroup:P-1,id:mp-774105} |
| RD_419762581779_000 | computation | Reference Data From Materials Project: {formula:Ca(GeRu)2,spaceGroup:I4/mmm,id:mp-19791} |
| RD_419855462830_000 | computation | Reference Data From Materials Project: {formula:Ca4Si6Pb6Cl2O21,spaceGroup:P6_3/m,id:mp-558268} |
| RD_420572502136_000 | computation | Reference Data From Materials Project: {formula:CaWO4,spaceGroup:I4_1/a,id:mp-19426} |
| RD_420589086321_000 | computation | Reference Data From Materials Project: {formula:Ca2IrO4,spaceGroup:P-62m,id:mp-540806} |
| RD_420727937593_000 | computation | Reference Data From Materials Project: {formula:Ca2AsAu,spaceGroup:Fm-3m,id:mp-867113} |
| RD_420907504330_000 | computation | Reference Data From Materials Project: {formula:Li2Ca,spaceGroup:Fd-3m,id:mp-11644} |
| RD_422015287371_000 | computation | Ca in AFLOW crystal prototype A_tI2_139_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': 0} |
| RD_422598368965_000 | computation | Reference Data From Materials Project: {formula:CaCo3(P2O7)2,spaceGroup:P2_1/c,id:mp-505175} |
| RD_423340704371_000 | computation | Reference Data From Materials Project: {formula:Ca3CdO4,spaceGroup:Cmmm,id:mp-755287} |
| RD_423501559831_000 | computation | Reference Data From Materials Project: {formula:Ca7Ge,spaceGroup:Fm-3m,id:mp-10008} |
| RD_423608834244_000 | computation | Reference Data From Materials Project: {formula:Ca2Fe3Sb(PO4)6,spaceGroup:R3,id:mp-743583} |
| RD_423836463529_000 | computation | Reference Data From Materials Project: {formula:Ca(Pr2Se3)4,spaceGroup:Cc,id:mp-38347} |
| RD_423942963916_000 | computation | Reference Data From Materials Project: {formula:Ca2PI,spaceGroup:R-3m,id:mp-23040} |
| RD_424027179063_000 | computation | Reference Data From Materials Project: {formula:CaSn2F6,spaceGroup:P-1,id:mp-30146} |
| RD_425225911595_000 | computation | Reference Data From Materials Project: {formula:CaAl2Si4(H2O7)2,spaceGroup:C2/m,id:mp-706640} |
| RD_425320283824_000 | computation | Reference Data From Materials Project: {formula:BaCa(CO3)2,spaceGroup:P321,id:mp-556458} |
| RD_425463867880_000 | computation | Reference Data From Materials Project: {formula:NaCa2Si3HO9,spaceGroup:P-1,id:mp-23792} |
| RD_425795782663_000 | computation | Reference Data From Materials Project: {formula:Ca(GeIr)2,spaceGroup:I4/mmm,id:mp-16259} |
| RD_426934630293_000 | computation | Reference Data From Materials Project: {formula:Li2CaSiO4,spaceGroup:I-42m,id:mp-7610} |
| RD_427282392963_000 | computation | CaH in AFLOW crystal prototype AB2_oP12_62_c_2c (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_428465018334_000 | computation | Reference Data From Materials Project: {formula:CaPSe3,spaceGroup:P2_1/c,id:mp-11007} |
| RD_429219757833_000 | computation | Reference Data From Materials Project: {formula:CaTiF5,spaceGroup:C2/c,id:mp-8395} |
| RD_430122701309_000 | computation | Reference Data From Materials Project: {formula:Ca3La3(BO3)5,spaceGroup:P6_3mc,id:mp-6709} |
| RD_430550108056_000 | computation | Reference Data From Materials Project: {formula:CaCdPb,spaceGroup:P-62m,id:mp-623089} |
| RD_430796810872_000 | computation | CaCd in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_430977224446_000 | computation | Reference Data From Materials Project: {formula:CaZn3Ni2,spaceGroup:P6/mmm,id:mp-542953} |
| RD_431095272833_000 | computation | Reference Data From Materials Project: {formula:CaZn2H12(BrO)6,spaceGroup:C2/m,id:mp-722941} |
| RD_431165736641_000 | computation | Reference Data From Materials Project: {formula:CaCr2O4,spaceGroup:Pmnb,id:mp-558881} |
| RD_431371568419_000 | computation | Reference Data From Materials Project: {formula:CaInAu2,spaceGroup:Fm-3m,id:mp-861960} |
| RD_431930916007_000 | computation | Reference Data From Materials Project: {formula:Ca(Ni2B)6,spaceGroup:R-3m,id:mp-21312} |
| RD_432379436536_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:P2_1,id:mp-866504} |
| RD_432635760558_000 | computation | CaSi in AFLOW crystal prototype AB2_hP3_164_a_d. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_432831374585_000 | computation | Reference Data From Materials Project: {formula:Ca(HO)2,spaceGroup:C2,id:mp-626878} |
| RD_433478082875_000 | computation | Reference Data From Materials Project: {formula:CaP2H6O7,spaceGroup:P-1,id:mp-24452} |
| RD_434078137728_000 | computation | Reference Data From Materials Project: {formula:Ca2H2S2O7,spaceGroup:Pbna,id:mp-696490} |
| RD_434585471443_000 | experiment | Experimental data collected from reference material at the University of Minnesota. Original source needs to be checked to verify ensemble and error values. |
| RD_434860926843_000 | computation | Reference Data From Materials Project: {formula:CaAl2,spaceGroup:Fd-3m,id:mp-2404} |
| RD_435691749981_000 | computation | CaH in AFLOW crystal prototype AB2_oP12_62_c_2c (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_435816547512_000 | computation | Reference Data From Materials Project: {formula:CaPS3,spaceGroup:P2_1/c,id:mp-9789} |
| RD_436061234835_000 | computation | Reference Data From Materials Project: {formula:Ca(PrTe2)2,spaceGroup:I-42d,id:mp-37520} |
| RD_436919879057_000 | computation | Reference Data From Materials Project: {formula:Ca3YMn3B4O15,spaceGroup:Pm,id:mp-743608} |
| RD_437200511133_000 | computation | Reference Data From Materials Project: {formula:Ca6Si3H2O13,spaceGroup:P-1,id:mp-554539} |
| RD_437336987942_000 | computation | Reference Data From Materials Project: {formula:LiCa2Ta3O10,spaceGroup:I-4m2,id:mp-774479} |
| RD_437737136043_000 | computation | Reference Data From Materials Project: {formula:Ca2ZnGe2O7,spaceGroup:P-42_1m,id:mp-18596} |
| RD_438097288376_000 | computation | Reference Data From Materials Project: {formula:Ca4Nb2O9,spaceGroup:P-1,id:mp-531051} |
| RD_438255659223_000 | computation | Reference Data From Materials Project: {formula:CaIn4Rh,spaceGroup:Pmcm,id:mp-21220} |
| RD_438690336257_000 | computation | Reference Data From Materials Project: {formula:Ca3UO6,spaceGroup:R-3,id:mp-14252} |
| RD_438743699046_000 | computation | Reference Data From Materials Project: {formula:CaNi3(P2O7)2,spaceGroup:P2_1/c,id:mp-19473} |
| RD_439119026625_000 | computation | Reference Data From Materials Project: {formula:CaCd3O4,spaceGroup:Cmmm,id:mp-760403} |
| RD_439673442121_000 | computation | Reference Data From Materials Project: {formula:CaCuSb,spaceGroup:P6_3/mmc,id:mp-5910} |
| RD_439695914888_000 | computation | Reference Data From Materials Project: {formula:Ca3UN4,spaceGroup:F2mm,id:mp-675286} |
| RD_440255277521_000 | computation | Reference Data From Materials Project: {formula:Ca7Al3Si10N21,spaceGroup:P1,id:mp-705871} |
| RD_440533907813_000 | computation | Reference Data From Materials Project: {formula:CaZrO3,spaceGroup:Pm-3m,id:mp-542112} |
| RD_441190250512_000 | computation | Reference Data From Materials Project: {formula:Ca2MgAl2(SiO4)3,spaceGroup:P-1,id:mp-677029} |
| RD_442817275774_000 | computation | Reference Data From Materials Project: {formula:CaHgPb,spaceGroup:P6_3/mmc,id:mp-20879} |
| RD_443137579074_000 | computation | Reference Data From Materials Project: {formula:CaPd,spaceGroup:Pm-3m,id:mp-213} |
| RD_443565406755_000 | computation | Reference Data From Materials Project: {formula:Ca(IO3)2,spaceGroup:P2_1/c,id:mp-27535} |
| RD_444174687004_000 | computation | Reference Data From Materials Project: {formula:SrCaSi,spaceGroup:Pmnb,id:mp-7084} |
| RD_444446476524_000 | computation | Ca in AFLOW crystal prototype A_tI2_139_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': 0} |
| RD_444915021779_000 | computation | Reference Data From Materials Project: {formula:CaP,spaceGroup:P-62m,id:mp-1345} |
| RD_445212973407_000 | computation | Reference Data From Materials Project: {formula:CaTeO4,spaceGroup:Pnca,id:mp-12221} |
| RD_445616936489_000 | computation | Reference Data From Materials Project: {formula:Ba3CaSb2O9,spaceGroup:C2/c,id:mp-554817} |
| RD_446347547387_000 | computation | Reference Data From Materials Project: {formula:Ca(NdS2)2,spaceGroup:I-42d,id:mp-35876} |
| RD_446361251579_000 | computation | Reference Data From Materials Project: {formula:Ca4In3Au10,spaceGroup:Cmce,id:mp-645719} |
| RD_446447107011_000 | computation | Reference Data From Materials Project: {formula:Ca16HN8,spaceGroup:Pmn2_1,id:mp-675153} |
| RD_446831020162_000 | computation | Reference Data From Materials Project: {formula:Ca2B8H2O15,spaceGroup:P-1,id:mp-706291} |
| RD_446900108580_000 | computation | Reference Data From Materials Project: {formula:CaAcHg2,spaceGroup:Fm-3m,id:mp-865173} |
| RD_447339309938_000 | computation | Reference Data From Materials Project: {formula:CaAl2Si2(H2O5)2,spaceGroup:Pmcn,id:mp-505288} |
| RD_447404032299_000 | computation | Reference Data From Materials Project: {formula:Ca3AsN,spaceGroup:Pm-3m,id:mp-7223} |
| RD_447583947544_000 | computation | Reference Data From Materials Project: {formula:Li2Ca2Si5O13,spaceGroup:P-1,id:mp-560247} |
| RD_447603689480_000 | computation | Reference Data From Materials Project: {formula:Ca11Si4SO18,spaceGroup:I-4m2,id:mp-555508} |
| RD_448429637666_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_448671157751_000 | computation | Reference Data From Materials Project: {formula:Ca2YAs(WO6)2,spaceGroup:I4_1/a,id:mp-562728} |
| RD_448776384890_000 | computation | Reference Data From Materials Project: {formula:CaZn2(PO)2,spaceGroup:P-3m1,id:mp-634817} |
| RD_448811926223_000 | computation | Reference Data From Materials Project: {formula:K2Ca2(SO4)3,spaceGroup:P2_12_12_1,id:mp-15600} |
| RD_448884093676_000 | computation | Reference Data From Materials Project: {formula:Ca(Nd2Se3)4,spaceGroup:Cc,id:mp-38586} |
| RD_448964874849_000 | computation | Reference Data From Materials Project: {formula:Sr2CaUO6,spaceGroup:P2_1/c,id:mp-14551} |
| RD_449409356440_000 | computation | Reference Data From Materials Project: {formula:SrCaI4,spaceGroup:P2_1/c,id:mp-850529} |
| RD_449693777165_000 | computation | Reference Data From Materials Project: {formula:CaAs(HO)7,spaceGroup:Pbca,id:mp-24359} |
| RD_450241565055_000 | computation | Reference Data From Materials Project: {formula:KCa4Si8H16O29,spaceGroup:P4/mnc,id:mp-708991} |
| RD_450726745913_000 | computation | Reference Data From Materials Project: {formula:Ca2GeO4,spaceGroup:Pcmn,id:mp-560647} |
| RD_450975906209_000 | computation | Reference Data From Materials Project: {formula:CsCaBr3,spaceGroup:Pm-3m,id:mp-30056} |
| RD_451457322901_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:I4_1/a,id:mp-756666} |
| RD_451862123380_000 | computation | Reference Data From Materials Project: {formula:SrCa2I6,spaceGroup:P-31m,id:mp-754517} |
| RD_452036140786_000 | computation | Reference Data From Materials Project: {formula:Ca2P2H8O11,spaceGroup:P2_1/c,id:mp-554174} |
| RD_452778095267_000 | computation | Reference Data From Materials Project: {formula:Ca3AsCl3,spaceGroup:Pm-3m,id:mp-28069} |
| RD_452978243667_000 | computation | Reference Data From Materials Project: {formula:Ca2HN,spaceGroup:Fd-3m,id:mp-24119} |
| RD_453072772732_000 | computation | Reference Data From Materials Project: {formula:CaTiO3,spaceGroup:R-3,id:mp-754701} |
| RD_453941121207_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_454219381133_000 | computation | Reference Data From Materials Project: {formula:Ca3Sn4S11,spaceGroup:P1,id:mp-866621} |
| RD_454685309116_000 | computation | Reference Data From Materials Project: {formula:Na3Ca10Mn7V12O48,spaceGroup:P1,id:mp-694988} |
| RD_454767994728_000 | computation | CaZn in AFLOW crystal prototype AB13_cF112_226_a_bi (NaZn13). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_454810674489_000 | computation | Reference Data From Materials Project: {formula:KCaNi2,spaceGroup:Fm-3m,id:mp-631619} |
| RD_455121150390_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_455331329823_000 | computation | Reference Data From Materials Project: {formula:CaCuBi,spaceGroup:P6_3/mmc,id:mp-22941} |
| RD_456203915178_000 | computation | Reference Data From Materials Project: {formula:CaIn2Cu,spaceGroup:Cmcm,id:mp-19968} |
| RD_456450092343_000 | computation | Reference Data From Materials Project: {formula:CaZn2(PO4)2,spaceGroup:P-1,id:mp-18308} |
| RD_457148221598_000 | computation | Reference Data From Materials Project: {formula:CaZnF4,spaceGroup:I4_1/a,id:mp-5104} |
| RD_457221785362_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:Fd-3m,id:mp-866471} |
| RD_457334052432_000 | computation | Reference Data From Materials Project: {formula:Ca4ThF12,spaceGroup:P1,id:mp-676893} |
| RD_457942786754_000 | computation | Reference Data From Materials Project: {formula:BaCa4(CoN2)2,spaceGroup:P4/ncc,id:mp-606338} |
| RD_457955446122_000 | computation | Reference Data From Materials Project: {formula:CaAlSi,spaceGroup:P-6m2,id:mp-3173} |
| RD_458658405022_000 | computation | Reference Data From Materials Project: {formula:CaPrZn2,spaceGroup:Fm-3m,id:mp-866015} |
| RD_458761117807_000 | computation | Reference Data From Materials Project: {formula:NaCaAlSi2O7,spaceGroup:P-42_1m,id:mp-686526} |
| RD_458864018261_000 | computation | Reference Data From Materials Project: {formula:CaGa2Cu3(RuO6)2,spaceGroup:Pn3,id:mp-720504} |
| RD_459985193028_000 | computation | Reference Data From Materials Project: {formula:Ca5Gd3Ti5Mn3O24,spaceGroup:P1,id:mp-744410} |
| RD_460104186701_000 | computation | Reference Data From Materials Project: {formula:Ca2CdH24(ClO2)6,spaceGroup:P2_1/c,id:mp-720868} |
| RD_460299099907_000 | computation | Reference Data From Materials Project: {formula:CaPd5,spaceGroup:P6/mmm,id:mp-11826} |
| RD_460346667560_000 | computation | Reference Data From Materials Project: {formula:Na5Ca2Ce3Ti8Nb2O30,spaceGroup:P4mm,id:mp-721094} |
| RD_460520939571_000 | computation | Reference Data From Materials Project: {formula:CaTa2O6,spaceGroup:Fm-3m,id:mp-38843} |
| RD_460606938107_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_460929679118_000 | computation | Reference Data From Materials Project: {formula:CaPbF6,spaceGroup:Fm-3m,id:mp-20463} |
| RD_461401809145_000 | computation | Reference Data From Materials Project: {formula:Ca12Mn8Si7(H5O16)3,spaceGroup:P1,id:mp-746884} |
| RD_461947182112_000 | computation | Reference Data From Materials Project: {formula:LiCa2Tl,spaceGroup:Fm-3m,id:mp-867167} |
| RD_462381130955_000 | computation | Reference Data From Materials Project: {formula:Ca4Bi6O13,spaceGroup:Cm,id:mp-757343} |
| RD_463346379886_000 | computation | Reference Data From Materials Project: {formula:Ca17(Y7S19)2,spaceGroup:Cm,id:mp-686346} |
| RD_464070766396_000 | computation | Reference Data From Materials Project: {formula:NaCa3SmP3O12F,spaceGroup:P1,id:mp-693612} |
| RD_464225806505_000 | computation | Reference Data From Materials Project: {formula:Ca2Ru2O7,spaceGroup:Fd-3m,id:mp-554638} |
| RD_464369334185_000 | computation | Reference Data From Materials Project: {formula:Na3Ca3AlAs4,spaceGroup:P6_3mc,id:mp-15572} |
| RD_464372173274_000 | computation | Reference Data From Materials Project: {formula:CaGaPt,spaceGroup:Pmnb,id:mp-31152} |
| RD_464752465254_000 | computation | Reference Data From Materials Project: {formula:Ca3SbN,spaceGroup:Pm-3m,id:mp-31157} |
| RD_465489192395_000 | computation | Reference Data From Materials Project: {formula:Ca(BO2)2,spaceGroup:Pa3,id:mp-13827} |
| RD_466697118249_000 | computation | Reference Data From Materials Project: {formula:Ca2CoO3,spaceGroup:C2/m,id:mp-31623} |
| RD_466712343498_000 | computation | Reference Data From Materials Project: {formula:Ca2CrH2I2O11,spaceGroup:P2_1/c,id:mp-744193} |
| RD_466848052274_000 | computation | Reference Data From Materials Project: {formula:Ca3(AlN2)2,spaceGroup:P2_1/c,id:mp-570505} |
| RD_467121091150_000 | computation | Reference Data From Materials Project: {formula:Ca9B2(CCl2)4,spaceGroup:Ccmm,id:mp-569892} |
| RD_467255950035_000 | computation | Reference Data From Materials Project: {formula:Na2Ca4ZrNbSi4O17F,spaceGroup:P2_1,id:mp-6903} |
| RD_468499556398_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:P1,id:mp-626308} |
| RD_469384190681_000 | computation | Reference Data From Materials Project: {formula:CaAlH5,spaceGroup:P2_1/c,id:mp-601881} |
| RD_470035756390_000 | computation | Reference Data From Materials Project: {formula:BaCa2(PN2)6,spaceGroup:Pa3,id:mp-6404} |
| RD_470258890062_000 | computation | Reference Data From Materials Project: {formula:Ca(La2Se3)4,spaceGroup:Cc,id:mp-674712} |
| RD_470574480256_000 | computation | Reference Data From Materials Project: {formula:CaGa4O7,spaceGroup:C2/c,id:mp-17914} |
| RD_470669554275_000 | computation | CaO in AFLOW crystal prototype AB_hP4_194_c_d (metal-nitride; Al1N1, ICSD #163950). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_470687387518_000 | computation | Reference Data From Materials Project: {formula:BaCa(CO3)2,spaceGroup:P2_1/m,id:mp-6568} |
| RD_470852396566_000 | computation | Reference Data From Materials Project: {formula:CaLaMn2O6,spaceGroup:Pnmn,id:mp-25765} |
| RD_471997332368_000 | computation | Reference Data From Materials Project: {formula:Ca3Ga3Rh2,spaceGroup:Pbnm,id:mp-607230} |
| RD_472664831549_000 | computation | Reference Data From Materials Project: {formula:CaCd2,spaceGroup:Imma,id:mp-1444} |
| RD_472838745347_000 | computation | Reference Data From Materials Project: {formula:CaCl2,spaceGroup:Pmnb,id:mp-571627} |
| RD_473016549517_000 | computation | Reference Data From Materials Project: {formula:CaReBi,spaceGroup:F-43m,id:mp-631458} |
| RD_473292698864_000 | computation | Reference Data From Materials Project: {formula:CaAg2,spaceGroup:Imcm,id:mp-13270} |
| RD_473371099937_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:P1,id:mp-626291} |
| RD_473467572359_000 | computation | Reference Data From Materials Project: {formula:CaAl4Si2(HO6)2,spaceGroup:Cc,id:mp-24469} |
| RD_473490732209_000 | computation | Reference Data From Materials Project: {formula:Ca2Sb,spaceGroup:I4/mmm,id:mp-9925} |
| RD_473561029191_000 | computation | Reference Data From Materials Project: {formula:Na2Ca6Mg7Fe(SiO3)16,spaceGroup:C2,id:mp-745155} |
| RD_473604385349_000 | computation | Reference Data From Materials Project: {formula:CaCoAsHO5,spaceGroup:P2_12_12_1,id:mp-510721} |
| RD_473608260608_000 | computation | Reference Data From Materials Project: {formula:Ba3CaIr2O9,spaceGroup:P-3m1,id:mp-13369} |
| RD_473768198183_000 | computation | Reference Data From Materials Project: {formula:Ca4Si3Pd4,spaceGroup:C2/c,id:mp-17185} |
| RD_473973300539_000 | computation | Reference Data From Materials Project: {formula:CaAl2O4,spaceGroup:Pmnb,id:mp-12441} |
| RD_474133567604_000 | computation | Reference Data From Materials Project: {formula:Ca2HfO4,spaceGroup:Pbca,id:mp-752396} |
| RD_474572120187_000 | computation | Reference Data From Materials Project: {formula:Ca10V5Fe15(BiO24)2,spaceGroup:P-1,id:mp-697835} |
| RD_474683886415_000 | computation | Reference Data From Materials Project: {formula:CaNb2P2O11,spaceGroup:C2/c,id:mp-557786} |
| RD_475069640727_000 | computation | Reference Data From Materials Project: {formula:CaHClO,spaceGroup:P6_3mc,id:mp-642725} |
| RD_475801216707_000 | computation | Reference Data From Materials Project: {formula:CaCdAu,spaceGroup:Pmnb,id:mp-569628} |
| RD_475895243634_000 | computation | Reference Data From Materials Project: {formula:CaH2CO4,spaceGroup:P3_1,id:mp-560832} |
| RD_476049840724_000 | computation | Reference Data From Materials Project: {formula:CaMgUH24C3O23,spaceGroup:P2_1/m,id:mp-720999} |
| RD_476541183524_000 | computation | Reference Data From Materials Project: {formula:CaCdHg2,spaceGroup:Fm-3m,id:mp-866104} |
| RD_476590313720_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:R-3c,id:mp-866519} |
| RD_476600478680_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_476728119073_000 | computation | Reference Data From Materials Project: {formula:LiCaRh,spaceGroup:F-43m,id:mp-961723} |
| RD_476979520565_000 | computation | Reference Data From Materials Project: {formula:CaCdSi,spaceGroup:F-43m,id:mp-962078} |
| RD_477013238636_000 | computation | Reference Data From Materials Project: {formula:Ca3Al2(SiO4)3,spaceGroup:Ia-3d,id:mp-6008} |
| RD_477746450910_000 | computation | Reference Data From Materials Project: {formula:Ca6Hf19O44,spaceGroup:R-3c,id:mp-558489} |
| RD_477853252665_000 | computation | Reference Data From Materials Project: {formula:Ca3NdF9,spaceGroup:P1,id:mp-673801} |
| RD_478570008690_000 | computation | Reference Data From Materials Project: {formula:Ca(GePd)2,spaceGroup:I4/mmm,id:mp-16260} |
| RD_478608208845_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_478697216454_000 | computation | Reference Data From Materials Project: {formula:CaHClO,spaceGroup:P6_3mc,id:mp-642725} |
| RD_479127938959_000 | computation | Reference Data From Materials Project: {formula:Ca3SnS5,spaceGroup:P6_3cm,id:mp-866509} |
| RD_479336663675_000 | computation | Reference Data From Materials Project: {formula:CaSnO3,spaceGroup:Pm-3m,id:mp-546910} |
| RD_479337209382_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6WO16,spaceGroup:I-43m,id:mp-19145} |
| RD_479596391209_000 | computation | Reference Data From Materials Project: {formula:Tb2CaO4,spaceGroup:Cmcm,id:mp-753912} |
| RD_479835924628_000 | computation | Reference Data From Materials Project: {formula:CaCO3,spaceGroup:P6_522,id:mp-560265} |
| RD_479862629032_000 | computation | Reference Data From Materials Project: {formula:LiCaSn,spaceGroup:P3m1,id:mp-30477} |
| RD_479947692296_000 | computation | Reference Data From Materials Project: {formula:Ca5Si2C2O13,spaceGroup:P2_1/c,id:mp-6753} |
| RD_480017756803_000 | computation | Reference Data From Materials Project: {formula:Ca4(H4Rh)3,spaceGroup:Im-3m,id:mp-697126} |
| RD_480049964641_000 | computation | Reference Data From Materials Project: {formula:Ca5Si2SO12,spaceGroup:Pnam,id:mp-6607} |
| RD_480630222829_000 | computation | Reference Data From Materials Project: {formula:Ca2AlH10ClO8,spaceGroup:C2/c,id:mp-695927} |
| RD_481182033574_000 | computation | Reference Data From Materials Project: {formula:CaMgAsO4F,spaceGroup:C2/c,id:mp-7035} |
| RD_481386473252_000 | computation | Reference Data From Materials Project: {formula:Ca(ClO3)2,spaceGroup:P2_1/c,id:mp-768870} |
| RD_481470509569_000 | computation | Reference Data From Materials Project: {formula:Ca,spaceGroup:I4/mmm,id:mp-166} |
| RD_482317949285_000 | computation | Reference Data From Materials Project: {formula:Ca2Th(Si2O5)4,spaceGroup:I422,id:mp-555528} |
| RD_483182158958_000 | computation | Reference Data From Materials Project: {formula:CaCd,spaceGroup:Pm-3m,id:mp-1073} |
| RD_483553163090_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:Pbcn,id:mp-766348} |
| RD_483849594804_000 | computation | Reference Data From Materials Project: {formula:Ca4Mg4Fe3H22,spaceGroup:P-43m,id:mp-644264} |
| RD_484150663511_000 | computation | Reference Data From Materials Project: {formula:Ca5P3ClO12,spaceGroup:P6_3/m,id:mp-554236} |
| RD_484367055454_000 | computation | Reference Data From Materials Project: {formula:Ca5As3,spaceGroup:P6_3/mcm,id:mp-10047} |
| RD_484740719358_000 | computation | Reference Data From Materials Project: {formula:Ca51W12N56O3,spaceGroup:P-1,id:mp-578630} |
| RD_485297180818_000 | computation | Reference Data From Materials Project: {formula:Ca3ScCoO6,spaceGroup:R-3c,id:mp-645593} |
| RD_485394678057_000 | computation | Reference Data From Materials Project: {formula:CaB3H5O8,spaceGroup:P2_1/c,id:mp-705495} |
| RD_485404241390_000 | computation | Reference Data From Materials Project: {formula:CaIn2,spaceGroup:P6_3/mmc,id:mp-21068} |
| RD_485608841428_000 | computation | Reference Data From Materials Project: {formula:CaAsPd,spaceGroup:Pnma,id:mp-28763} |
| RD_485646336173_000 | computation | Reference Data From Materials Project: {formula:CaH8(ClO2)2,spaceGroup:P-1,id:mp-721047} |
| RD_486222535537_000 | computation | Reference Data From Materials Project: {formula:CaSeO3,spaceGroup:P2_1/c,id:mp-557997} |
| RD_487234319712_000 | computation | Reference Data From Materials Project: {formula:Ca3WO6,spaceGroup:P2_1/c,id:mp-779906} |
| RD_487885261581_000 | computation | Reference Data From Materials Project: {formula:LiCaGaF6,spaceGroup:P-31c,id:mp-12829} |
| RD_488663532877_000 | computation | Reference Data From Materials Project: {formula:Ca3SiH30CSO25,spaceGroup:P6_3,id:mp-721098} |
| RD_489810034515_000 | computation | Reference Data From Materials Project: {formula:Ca3(GeAs2)2,spaceGroup:P2_1/c,id:mp-18504} |
| RD_490680625723_000 | computation | Reference Data From Materials Project: {formula:CaPrZn2,spaceGroup:Fm-3m,id:mp-866015} |
| RD_491269145725_000 | computation | Reference Data From Materials Project: {formula:Ca3Al2Ge3,spaceGroup:Pmnb,id:mp-27997} |
| RD_491756371998_000 | computation | Reference Data From Materials Project: {formula:CaH8(NO5)2,spaceGroup:P2_1/c,id:mp-762501} |
| RD_491787898643_000 | computation | Reference Data From Materials Project: {formula:CaMg3Si3O10,spaceGroup:P-1,id:mp-541026} |
| RD_492063688245_000 | computation | Reference Data From Materials Project: {formula:Ca6GaN5,spaceGroup:P6_3/mcm,id:mp-17875} |
| RD_492288178798_000 | computation | Reference Data From Materials Project: {formula:Ca3Sn2S7,spaceGroup:Pmcb,id:mp-866475} |
| RD_492471860118_000 | computation | Reference Data From Materials Project: {formula:CaAs,spaceGroup:P-62m,id:mp-888} |
| RD_492606685938_000 | computation | Reference Data From Materials Project: {formula:Ca(AlSi)2,spaceGroup:P-3m1,id:mp-7704} |
| RD_493789625001_000 | computation | Reference Data From Materials Project: {formula:CaGeO3,spaceGroup:P-1,id:mp-776086} |
| RD_494992354760_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:Pm2m,id:mp-753775} |
| RD_495201666453_000 | computation | Reference Data From Materials Project: {formula:Ca2MnP2(H2O5)2,spaceGroup:P-1,id:mp-25556} |
| RD_495887923508_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca3Tl2(CuO3)4,spaceGroup:I4/mmm,id:mp-556574} |
| RD_496523277255_000 | computation | Reference Data From Materials Project: {formula:LiCaSn,spaceGroup:P3m1,id:mp-30477} |
| RD_496841982355_000 | computation | Reference Data From Materials Project: {formula:Ca2PbO4,spaceGroup:Pmcb,id:mp-21137} |
| RD_497666476560_000 | computation | Reference Data From Materials Project: {formula:LiCaSn,spaceGroup:P3m1,id:mp-30477} |
| RD_498622378140_000 | computation | Reference Data From Materials Project: {formula:CaGe,spaceGroup:Cmcm,id:mp-2360} |
| RD_498903617817_000 | computation | Reference Data From Materials Project: {formula:Ca3In,spaceGroup:Fm-3m,id:mp-20581} |
| RD_499854043823_000 | computation | Reference Data From Materials Project: {formula:Ca13Y6F43,spaceGroup:R3,id:mp-531213} |
| RD_499996651609_000 | computation | Reference Data From Materials Project: {formula:KCa10(PO4)7,spaceGroup:R3c,id:mp-6813} |
| RD_500243935225_000 | computation | Reference Data From Materials Project: {formula:Ca3(PO4)2,spaceGroup:R3,id:mp-531132} |
| RD_500535278456_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:P2_1/c,id:mp-771642} |
| RD_500542628827_000 | computation | Reference Data From Materials Project: {formula:Tb2CaO4,spaceGroup:Fd-3m,id:mp-755044} |
| RD_500919063452_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P-31m,id:mp-753345} |
| RD_501055600524_000 | computation | Reference Data From Materials Project: {formula:CaTiO3,spaceGroup:Pm-3m,id:mp-5827} |
| RD_501948013810_000 | computation | Reference Data From Materials Project: {formula:CaSiBHO5,spaceGroup:P2_1/c,id:mp-554371} |
| RD_502150936693_000 | computation | Reference Data From Materials Project: {formula:Ca2CrO4,spaceGroup:Pna2_1,id:mp-782653} |
| RD_502595208303_000 | computation | Reference Data From Materials Project: {formula:LiCa2Ir,spaceGroup:Fm-3m,id:mp-867222} |
| RD_503241445971_000 | computation | Reference Data From Materials Project: {formula:Ca10P6ClO24F,spaceGroup:P3,id:mp-686571} |
| RD_503250554044_000 | computation | Reference Data From Materials Project: {formula:Ca2Ta2O7,spaceGroup:Fd-3m,id:mp-14026} |
| RD_504513032684_000 | computation | Reference Data From Materials Project: {formula:CaHfO3,spaceGroup:Pbnm,id:mp-754853} |
| RD_505824498151_000 | computation | Reference Data From Materials Project: {formula:Ca(NiGe)2,spaceGroup:I4/mmm,id:mp-2949} |
| RD_506019806703_000 | computation | Reference Data From Materials Project: {formula:CaZnSi,spaceGroup:P6_3/mmc,id:mp-16266} |
| RD_506376926020_000 | computation | Reference Data From Materials Project: {formula:Na4Ca(PO3)6,spaceGroup:C2/c,id:mp-542280} |
| RD_506684047120_000 | computation | Reference Data From Materials Project: {formula:LiCaBO3,spaceGroup:Ibca,id:mp-966801} |
| RD_507385343075_000 | computation | Reference Data From Materials Project: {formula:Ca2MnFeO5,spaceGroup:Pnam,id:mp-578993} |
| RD_507396596955_000 | computation | Reference Data From Materials Project: {formula:Na13Ca7S12Cl(O24F)2,spaceGroup:P1,id:mp-720360} |
| RD_507803741890_000 | computation | Reference Data From Materials Project: {formula:Ca3Ga5,spaceGroup:Cmcm,id:mp-30473} |
| RD_507964887975_000 | computation | Reference Data From Materials Project: {formula:Ca22H51Rh11,spaceGroup:P1,id:mp-685437} |
| RD_508681013585_000 | computation | Reference Data From Materials Project: {formula:CaAl2Si2(H2O5)2,spaceGroup:Cmcm,id:mp-733653} |
| RD_508977587260_000 | computation | Reference Data From Materials Project: {formula:K2CaAs2O7,spaceGroup:P2_1/c,id:mp-557367} |
| RD_508988454230_000 | computation | Reference Data From Materials Project: {formula:CaPbI4,spaceGroup:P2_1/c,id:mp-755977} |
| RD_509152023402_000 | computation | Reference Data From Materials Project: {formula:Ca3SiO5,spaceGroup:R3m,id:mp-558273} |
| RD_509155454952_000 | computation | Reference Data From Materials Project: {formula:CaPdPb,spaceGroup:P-62m,id:mp-672254} |
| RD_509400652653_000 | computation | Reference Data From Materials Project: {formula:Ca9Mn(PO4)7,spaceGroup:R3c,id:mp-851044} |
| RD_509402523147_000 | computation | Reference Data From Materials Project: {formula:CaZnSiH2O5,spaceGroup:Cc,id:mp-696853} |
| RD_509403729069_000 | computation | Reference Data From Materials Project: {formula:Ca2H2S2O9,spaceGroup:C2,id:mp-698074} |
| RD_509484108648_000 | computation | Reference Data From Materials Project: {formula:Ca2CuB2(HO)12,spaceGroup:P-1,id:mp-752783} |
| RD_509894637842_000 | computation | Reference Data From Materials Project: {formula:Ca(ClO3)2,spaceGroup:F2dd,id:mp-753813} |
| RD_510434331653_000 | computation | Reference Data From Materials Project: {formula:CaInHg2,spaceGroup:Fm-3m,id:mp-867201} |
| RD_511569094048_000 | computation | Reference Data From Materials Project: {formula:CaAgBi,spaceGroup:P6_3mc,id:mp-568664} |
| RD_511700566486_000 | computation | Reference Data From Materials Project: {formula:CaCr(Si2O5)2,spaceGroup:P4/ncc,id:mp-19441} |
| RD_511718056135_000 | computation | Reference Data From Materials Project: {formula:Ca6Ti5AlSi6O29F,spaceGroup:P1,id:mp-693358} |
| RD_511844646399_000 | computation | Reference Data From Materials Project: {formula:Ca(BH4)2,spaceGroup:Pbca,id:mp-966591} |
| RD_512223028886_000 | computation | Reference Data From Materials Project: {formula:Ca(MnBi)2,spaceGroup:P-3m1,id:mp-29615} |
| RD_512511224086_000 | computation | Reference Data From Materials Project: {formula:Ca5MnSi9(Pb3O11)3,spaceGroup:P-6,id:mp-651786} |
| RD_513042242685_000 | computation | Reference Data From Materials Project: {formula:LiCa2Rh,spaceGroup:Fm-3m,id:mp-862764} |
| RD_513366234961_000 | computation | Reference Data From Materials Project: {formula:Ca4Zr3TaO12,spaceGroup:P-1,id:mp-756837} |
| RD_513474335567_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_513764783992_000 | computation | Reference Data From Materials Project: {formula:K2CaP2O7,spaceGroup:P2_1/c,id:mp-555914} |
| RD_514169563589_000 | computation | Reference Data From Materials Project: {formula:Ba2CaUO6,spaceGroup:P2_1/c,id:mp-557448} |
| RD_514426177089_000 | computation | Reference Data From Materials Project: {formula:CaH8(ClO2)2,spaceGroup:P2_1/c,id:mp-24384} |
| RD_515085186048_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ca, hcp Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-132) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_515157189614_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:P321,id:mp-756238} |
| RD_515254137657_000 | computation | Reference Data From Materials Project: {formula:CaO,spaceGroup:P6_3/mmc,id:mp-545512} |
| RD_515576275173_000 | computation | Reference Data From Materials Project: {formula:CaSm2O4,spaceGroup:Fd-3m,id:mp-754240} |
| RD_516036482103_000 | computation | Reference Data From Materials Project: {formula:Ca3Mn2O7,spaceGroup:I4/mmm,id:mp-19124} |
| RD_516343854534_000 | computation | Reference Data From Materials Project: {formula:CaSi2NiO6,spaceGroup:C2/c,id:mp-19220} |
| RD_517116491771_000 | computation | Reference Data From Materials Project: {formula:Ca4TiN4,spaceGroup:P-1,id:mp-568469} |
| RD_517431591356_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_518161008685_000 | computation | Reference Data From Materials Project: {formula:Ca5Cu19As10,spaceGroup:P-1,id:mp-685317} |
| RD_518510597620_000 | computation | Reference Data From Materials Project: {formula:Ca3Mn2O7,spaceGroup:Ccm2_1,id:mp-19042} |
| RD_518592539578_000 | computation | Reference Data From Materials Project: {formula:Ca3AuN,spaceGroup:Pm-3m,id:mp-9040} |
| RD_518683972233_000 | computation | Reference Data From Materials Project: {formula:NaCaB5H8O13,spaceGroup:P2_1/c,id:mp-705528} |
| RD_518819354885_000 | computation | Reference Data From Materials Project: {formula:Ca3Al4ZnO10,spaceGroup:Pc2_1b,id:mp-557955} |
| RD_518839150709_000 | computation | Reference Data From Materials Project: {formula:Ca5W3O14,spaceGroup:Pbca,id:mp-778915} |
| RD_519208475150_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca(PdO2)3,spaceGroup:Fmmm,id:mp-17380} |
| RD_519348382414_000 | computation | Reference Data From Materials Project: {formula:CaH12(ClO3)2,spaceGroup:P321,id:mp-23914} |
| RD_519484415326_000 | computation | Reference Data From Materials Project: {formula:CaAl9Ni,spaceGroup:P6_3/mmc,id:mp-3479} |
| RD_519649518205_000 | computation | Reference Data From Materials Project: {formula:Ca3Al7Ag2,spaceGroup:R-3m,id:mp-11430} |
| RD_519716674234_000 | computation | Reference Data From Materials Project: {formula:Ca3Tl4O9,spaceGroup:P2_1/c,id:mp-765585} |
| RD_519791761543_000 | computation | Reference Data From Materials Project: {formula:Ca,spaceGroup:Im-3m,id:mp-21} |
| RD_520755856059_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_521188780808_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:Pbcn,id:mp-766340} |
| RD_521284371154_000 | computation | Reference Data From Materials Project: {formula:CaCd2,spaceGroup:P6_3/mmc,id:mp-1078} |
| RD_521621036943_000 | computation | Reference Data From Materials Project: {formula:Ca(InTe2)2,spaceGroup:I422,id:mp-677072} |
| RD_521742903896_000 | computation | Reference Data From Materials Project: {formula:BaCaSn,spaceGroup:Pmnb,id:mp-11265} |
| RD_521856755455_000 | computation | Reference Data From Materials Project: {formula:CaLa3Mn4O12,spaceGroup:R-3c,id:mp-694892} |
| RD_522217538555_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_523127489799_000 | computation | Reference Data From Materials Project: {formula:CaH2CClO3,spaceGroup:C2/m,id:mp-644418} |
| RD_523298237705_000 | computation | Reference Data From Materials Project: {formula:Ca3Au,spaceGroup:Pbnm,id:mp-30366} |
| RD_523389006847_000 | computation | Reference Data From Materials Project: {formula:Ca3Fe2(SeO3)6,spaceGroup:R-3c,id:mp-565716} |
| RD_523576178009_000 | computation | Reference Data From Materials Project: {formula:CsCaH3,spaceGroup:Pm-3m,id:mp-644203} |
| RD_523852331227_000 | computation | Reference Data From Materials Project: {formula:Ca(MnBi)2,spaceGroup:P-3m1,id:mp-29615} |
| RD_523924596902_000 | computation | Reference Data From Materials Project: {formula:CaGaGe,spaceGroup:P6_3/mmc,id:mp-541310} |
| RD_524200749717_000 | computation | Reference Data From Materials Project: {formula:CaClF,spaceGroup:P4/nmm,id:mp-27546} |
| RD_524860715774_000 | computation | Reference Data From Materials Project: {formula:Ca21(Mn2Sb9)2,spaceGroup:C2/c,id:mp-30217} |
| RD_525342239152_000 | computation | Reference Data From Materials Project: {formula:Ca6Ag16N,spaceGroup:Im-3m,id:mp-542496} |
| RD_525519468560_000 | computation | Reference Data From Materials Project: {formula:LiCa2In,spaceGroup:Fm-3m,id:mp-867211} |
| RD_525659686147_000 | computation | Reference Data From Materials Project: {formula:CaO,spaceGroup:Fm-3m,id:mp-2605} |
| RD_526828188056_000 | computation | Reference Data From Materials Project: {formula:Ca5Al2(SiN4)2,spaceGroup:Pbcn,id:mp-866314} |
| RD_527331008892_000 | computation | Reference Data From Materials Project: {formula:Ca(DyS2)2,spaceGroup:I-42d,id:mp-35787} |
| RD_528232670390_000 | computation | Reference Data From Materials Project: {formula:CaS2(ClO3)2,spaceGroup:Pcab,id:mp-556040} |
| RD_528477758048_000 | computation | Reference Data From Materials Project: {formula:Na3Ca2BiO6,spaceGroup:Fddd,id:mp-557506} |
| RD_529342376563_000 | computation | Reference Data From Materials Project: {formula:Ca2Os2O7,spaceGroup:Imcm,id:mp-2923} |
| RD_529445142858_000 | computation | Reference Data From Materials Project: {formula:Ca(MgAs)2,spaceGroup:P-3m1,id:mp-9564} |
| RD_529471193533_000 | computation | Reference Data From Materials Project: {formula:CaMgNiH4,spaceGroup:P2_13,id:mp-24052} |
| RD_529538481637_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:C2/c,id:mp-17552} |
| RD_530381920682_000 | computation | Reference Data From Materials Project: {formula:NaCaTaTiO6,spaceGroup:Pc,id:mp-39712} |
| RD_530914273756_000 | computation | Reference Data From Materials Project: {formula:CaMnAs2(H3O5)2,spaceGroup:P-1,id:mp-780912} |
| RD_530957755192_000 | computation | Reference Data From Materials Project: {formula:Ca3N2,spaceGroup:P-3m1,id:mp-13147} |
| RD_530975400567_000 | computation | Reference Data From Materials Project: {formula:Ca2VN3,spaceGroup:C2/c,id:mp-17892} |
| RD_531707643625_000 | computation | Reference Data From Materials Project: {formula:CaZn13,spaceGroup:Fm-3c,id:mp-672227} |
| RD_531940370068_000 | computation | Reference Data From Materials Project: {formula:CaNiAsHO5,spaceGroup:P2_12_12_1,id:mp-541762} |
| RD_532179628954_000 | computation | Reference Data From Materials Project: {formula:Ca16Zr9Ta7N7O41,spaceGroup:P1,id:mp-677269} |
| RD_532423222363_000 | computation | Reference Data From Materials Project: {formula:K4CaU3O12,spaceGroup:Im-3m,id:mp-16137} |
| RD_532879530428_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:P1,id:mp-626553} |
| RD_532930280652_000 | computation | Reference Data From Materials Project: {formula:Li2CaGe,spaceGroup:Fm-3m,id:mp-865986} |
| RD_533357570893_000 | computation | Reference Data From Materials Project: {formula:CaInAu,spaceGroup:Pmnb,id:mp-20378} |
| RD_533452536111_000 | computation | Reference Data From Materials Project: {formula:CaLaGaO4,spaceGroup:Pcmn,id:mp-559969} |
| RD_533476304441_000 | computation | Reference Data From Materials Project: {formula:CaCu3(GeO3)4,spaceGroup:Im3,id:mp-17599} |
| RD_534290378957_000 | computation | CaSi in AFLOW crystal prototype AB2_hR6_166_c_2c (CaSi2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_535511300565_000 | computation | Reference Data From Materials Project: {formula:KCaAl2F9,spaceGroup:C222_1,id:mp-557743} |
| RD_535522606611_000 | computation | Reference Data From Materials Project: {formula:K2Ca2(SO4)3,spaceGroup:P2_13,id:mp-15599} |
| RD_536357438636_000 | computation | Reference Data From Materials Project: {formula:Ca19In8N7,spaceGroup:Fm-3m,id:mp-642331} |
| RD_536405531763_000 | computation | Reference Data From Materials Project: {formula:Ca2GeN2,spaceGroup:P4_2/mbc,id:mp-29809} |
| RD_536664109067_000 | computation | Reference Data From Materials Project: {formula:Ca2NF,spaceGroup:Cm,id:mp-685352} |
| RD_537367179973_000 | computation | Reference Data From Materials Project: {formula:Ca3Pb3I14,spaceGroup:P2_1/m,id:mp-771877} |
| RD_537450555954_000 | computation | Reference Data From Materials Project: {formula:Ca3Sn13Rh4,spaceGroup:Pm-3n,id:mp-4363} |
| RD_537867688782_000 | computation | Reference Data From Materials Project: {formula:Ca3Zn3(TeO6)2,spaceGroup:Ia-3d,id:mp-14778} |
| RD_537978962726_000 | computation | Reference Data From Materials Project: {formula:CaTe,spaceGroup:P6_3/mmc,id:mp-569170} |
| RD_538803198199_000 | computation | Ca in AFLOW crystal prototype A_tI2_139_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': 0} |
| RD_538982533135_000 | computation | Reference Data From Materials Project: {formula:Ca2CuO3,spaceGroup:Immm,id:mp-5869} |
| RD_539086161344_000 | computation | Reference Data From Materials Project: {formula:CaB2H10O9,spaceGroup:P-1,id:mp-24065} |
| RD_539217577182_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:C2mm,id:mp-866917} |
| RD_539297576712_000 | computation | Reference Data From Materials Project: {formula:Ca3(BN2)2,spaceGroup:Pnmn,id:mp-531265} |
| RD_539679173054_000 | computation | Reference Data From Materials Project: {formula:Ca2AlF7,spaceGroup:Pmnb,id:mp-29221} |
| RD_540147212432_000 | computation | Reference Data From Materials Project: {formula:Ca2Cu2O5,spaceGroup:Pna2_1,id:mp-772813} |
| RD_540227355713_000 | computation | CaSi in AFLOW crystal prototype AB2_hR6_166_c_2c (CaSi2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_540300217377_000 | computation | Reference Data From Materials Project: {formula:CaB2(H7N)2,spaceGroup:Pbcn,id:mp-866308} |
| RD_540602791548_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_540659733031_000 | computation | Reference Data From Materials Project: {formula:Ca5P3HO13,spaceGroup:P6_3,id:mp-41472} |
| RD_540784047357_000 | computation | Reference Data From Materials Project: {formula:Ca2Mn2O5,spaceGroup:Pmcb,id:mp-25008} |
| RD_541346468517_000 | computation | Reference Data From Materials Project: {formula:CaSbAu,spaceGroup:P6_3/mmc,id:mp-16245} |
| RD_541675782609_000 | computation | Reference Data From Materials Project: {formula:CaZn3,spaceGroup:P6_3/mmc,id:mp-680531} |
| RD_541709937780_000 | computation | Reference Data From Materials Project: {formula:Ca3AlCd17,spaceGroup:R3,id:mp-680394} |
| RD_541782600683_000 | computation | Reference Data From Materials Project: {formula:CaAl2,spaceGroup:Fd-3m,id:mp-2404} |
| RD_541907054276_000 | computation | Reference Data From Materials Project: {formula:Ca5MnO6,spaceGroup:C2/m,id:mp-767160} |
| RD_542015894633_000 | computation | Reference Data From Materials Project: {formula:Sr2CaMoO6,spaceGroup:Fm-3m,id:mp-18962} |
| RD_542247287638_000 | computation | Reference Data From Materials Project: {formula:Ca2VClO4,spaceGroup:Pbcm,id:mp-566768} |
| RD_542364580387_000 | computation | Reference Data From Materials Project: {formula:KCaF3,spaceGroup:Pbnm,id:mp-5926} |
| RD_542392486033_000 | computation | Reference Data From Materials Project: {formula:CaCeAg2,spaceGroup:Fm-3m,id:mp-865460} |