An item of "reference data" is an experimental result or a high-accuracy computation (such as using density functional theory (DFT)) for a material property defined in OpenKIM for a particular system (e.g. the {111} surface energy of fcc Cu). Click for more information.
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| Reference Data | Data Method | Description |
|---|---|---|
| RD_518256019329_000 | computation | Reference Data From Materials Project: {formula:CeRu2,spaceGroup:Fd-3m,id:mp-607} |
| RD_519012667311_000 | computation | Reference Data From Materials Project: {formula:CeFeSi,spaceGroup:P4/nmm,id:mp-20245} |
| RD_519536771928_000 | computation | Reference Data From Materials Project: {formula:Ce(Ni2Sn)2,spaceGroup:I-4c2,id:mp-30510} |
| RD_520756455835_000 | computation | Reference Data From Materials Project: {formula:Sr(CeS2)2,spaceGroup:I-42d,id:mp-33392} |
| RD_522192786920_000 | computation | Reference Data From Materials Project: {formula:CeMgAu,spaceGroup:P-62m,id:mp-759835} |
| RD_522707081672_000 | computation | Reference Data From Materials Project: {formula:Ce2Ga12Ni,spaceGroup:P4/nbm,id:mp-567195} |
| RD_523187453871_000 | computation | Reference Data From Materials Project: {formula:CeCu6,spaceGroup:Pmnb,id:mp-21708} |
| RD_523703157656_000 | computation | Reference Data From Materials Project: {formula:Ce3Al,spaceGroup:Pm-3m,id:mp-2413} |
| RD_524044417503_000 | computation | Ce in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_524796814233_000 | computation | Reference Data From Materials Project: {formula:CeSbTe,spaceGroup:P4/nmm,id:mp-30152} |
| RD_525269446105_000 | computation | Reference Data From Materials Project: {formula:Ce(BO2)3,spaceGroup:P2_1/c,id:mp-558621} |
| RD_525273682717_000 | computation | Reference Data From Materials Project: {formula:Ce5NiPb3,spaceGroup:P6_3/mcm,id:mp-640447} |
| RD_525601287023_000 | computation | Reference Data From Materials Project: {formula:KCeH2S2O9,spaceGroup:P2_1/c,id:mp-510463} |
| RD_525954316062_000 | computation | Ce 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': 2} |
| RD_525977088436_000 | computation | Reference Data From Materials Project: {formula:CeInPd,spaceGroup:P-62m,id:mp-21387} |
| RD_526527016971_000 | computation | Reference Data From Materials Project: {formula:CeH3(CO2)3,spaceGroup:R3m,id:mp-642731} |
| RD_528190572553_000 | computation | Reference Data From Materials Project: {formula:Ce3CuSnS7,spaceGroup:P6_3,id:mp-510567} |
| RD_528473513135_000 | computation | Reference Data From Materials Project: {formula:Ce2CrN3,spaceGroup:Immm,id:mp-9277} |
| RD_529488776887_000 | computation | Reference Data From Materials Project: {formula:Ce3SiAgS7,spaceGroup:P6_3,id:mp-866605} |
| RD_529591830195_000 | computation | Reference Data From Materials Project: {formula:CeMg2Cu,spaceGroup:Fm-3m,id:mp-30504} |
| RD_530345150973_000 | computation | Reference Data From Materials Project: {formula:Ce(WO4)2,spaceGroup:P2_13,id:mp-770752} |
| RD_531248700664_000 | computation | Reference Data From Materials Project: {formula:CeO2,spaceGroup:Fm-3m,id:mp-20194} |
| RD_531409838552_000 | computation | Reference Data From Materials Project: {formula:Ce2MgSi2,spaceGroup:P4/mbm,id:mp-505296} |
| RD_531521694843_000 | computation | Reference Data From Materials Project: {formula:LiCeGe2,spaceGroup:Pmnb,id:mp-20428} |
| RD_531912988004_000 | computation | Reference Data From Materials Project: {formula:CeGeAu,spaceGroup:P6_3mc,id:mp-4219} |
| RD_534027092468_000 | computation | CeO in AFLOW crystal prototype A2B3_cI80_206_ad_e (N2Zn3, ICSD #84918). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_535853023026_000 | computation | Reference Data From Materials Project: {formula:Ce4Sb3,spaceGroup:I-43d,id:mp-20680} |
| RD_537446903085_000 | computation | Reference Data From Materials Project: {formula:BaNaCe2C4O12F,spaceGroup:P6_3/mmc,id:mp-542264} |
| RD_537845894605_000 | computation | Reference Data From Materials Project: {formula:K2CeAg3Te4,spaceGroup:Pmcn,id:mp-680045} |
| RD_539997948095_000 | computation | Reference Data From Materials Project: {formula:Li2CeO3,spaceGroup:Cmmm,id:mp-754534} |
| RD_540571522145_000 | computation | Reference Data From Materials Project: {formula:CeC,spaceGroup:Fm-3m,id:mp-22672} |
| RD_541143449819_000 | computation | Reference Data From Materials Project: {formula:CeSiP3,spaceGroup:P2_1nb,id:mp-651900} |
| RD_541356051985_000 | computation | Reference Data From Materials Project: {formula:Ce2S2O,spaceGroup:P2_1/c,id:mp-755777} |
| RD_541378267323_000 | computation | Reference Data From Materials Project: {formula:Ce3SiAgSe7,spaceGroup:P6_3,id:mp-18071} |
| RD_541901393799_000 | computation | Reference Data From Materials Project: {formula:Ce4Sb3,spaceGroup:I-43d,id:mp-20680} |
| RD_542392486033_000 | computation | Reference Data From Materials Project: {formula:CaCeAg2,spaceGroup:Fm-3m,id:mp-865460} |
| RD_542722860517_000 | computation | Reference Data From Materials Project: {formula:CeAl7Au3,spaceGroup:R-3c,id:mp-11031} |
| RD_542984116197_000 | computation | Reference Data From Materials Project: {formula:CeFe2,spaceGroup:Fd-3m,id:mp-204} |
| RD_543691496129_000 | computation | Reference Data From Materials Project: {formula:Ce12C6I17,spaceGroup:C2/c,id:mp-684020} |
| RD_543739570052_000 | computation | Reference Data From Materials Project: {formula:Ce2InPd2,spaceGroup:P4/mbm,id:mp-20165} |
| RD_543900185491_000 | computation | Reference Data From Materials Project: {formula:Ce2CoSi3,spaceGroup:P6/mmm,id:mp-20355} |
| RD_544041871861_000 | computation | Reference Data From Materials Project: {formula:CeCu5,spaceGroup:P6/mmm,id:mp-761} |
| RD_544375494396_000 | computation | Reference Data From Materials Project: {formula:CeSiOs,spaceGroup:P4/nmm,id:mp-505005} |
| RD_547836610342_000 | computation | Reference Data From Materials Project: {formula:CeSmO2,spaceGroup:I4_1/amd,id:mp-755070} |
| RD_547926628271_000 | computation | Reference Data From Materials Project: {formula:CeGeAu,spaceGroup:F-43m,id:mp-20275} |
| RD_548195881069_000 | computation | Reference Data From Materials Project: {formula:BaCe2CoS5,spaceGroup:I4/mcm,id:mp-22288} |
| RD_548411261721_000 | computation | Reference Data From Materials Project: {formula:Ce(Sn3Ru2)2,spaceGroup:I-42m,id:mp-20752} |
| RD_549958345115_000 | computation | Reference Data From Materials Project: {formula:CeAl3Ni2,spaceGroup:P6/mmm,id:mp-20338} |
| RD_550265918792_000 | computation | Reference Data From Materials Project: {formula:Ca(CeS2)2,spaceGroup:I-42d,id:mp-33560} |
| RD_550704887535_000 | computation | Reference Data From Materials Project: {formula:CeFe5,spaceGroup:P6/mmm,id:mp-11317} |
| RD_551629950656_000 | computation | Reference Data From Materials Project: {formula:Ce2SeO2,spaceGroup:P-3m1,id:mp-754640} |
| RD_552099176037_000 | computation | Reference Data From Materials Project: {formula:Ce2Te3,spaceGroup:I-42d,id:mp-32838} |
| RD_552283020217_000 | computation | Reference Data From Materials Project: {formula:CePt3,spaceGroup:Pm-3m,id:mp-11318} |
| RD_552399539439_000 | computation | Reference Data From Materials Project: {formula:Ce4GeS3,spaceGroup:I4/mmm,id:mp-675328} |
| RD_552460770304_000 | computation | Reference Data From Materials Project: {formula:CeSiBO5,spaceGroup:P3_1,id:mp-22225} |
| RD_552644047476_000 | computation | Reference Data From Materials Project: {formula:Li2CeGe,spaceGroup:P6_3/mmc,id:mp-30042} |
| RD_554737037820_000 | computation | Reference Data From Materials Project: {formula:Ce,spaceGroup:P6_3/mmc,id:mp-20372} |
| RD_554901764468_000 | computation | Reference Data From Materials Project: {formula:YbCeS3,spaceGroup:Pmnb,id:mp-684004} |
| RD_555867087716_000 | computation | Reference Data From Materials Project: {formula:Ce(SiOs)2,spaceGroup:I4/mmm,id:mp-4767} |
| RD_556433957211_000 | computation | Reference Data From Materials Project: {formula:Ce2BiO2,spaceGroup:I4/mmm,id:mp-23003} |
| RD_557333642472_000 | computation | Reference Data From Materials Project: {formula:Ce2B2Ir5,spaceGroup:R-3m,id:mp-30898} |
| RD_557553168510_000 | computation | Reference Data From Materials Project: {formula:Ce3TlC,spaceGroup:Pm-3m,id:mp-21319} |
| RD_557806189586_000 | computation | Reference Data From Materials Project: {formula:Ce3AsS3,spaceGroup:P2_13,id:mp-675514} |
| RD_558932759096_000 | computation | Reference Data From Materials Project: {formula:CeSnRh,spaceGroup:P-62m,id:mp-12374} |
| RD_559732069322_000 | computation | Reference Data From Materials Project: {formula:CeAu3,spaceGroup:P6_3/mmc,id:mp-865572} |
| RD_560345591332_000 | computation | Reference Data From Materials Project: {formula:CeCuSn,spaceGroup:P6_3/mmc,id:mp-22761} |
| RD_560403919918_000 | computation | Reference Data From Materials Project: {formula:CeCdNi4,spaceGroup:F-43m,id:mp-12006} |
| RD_560490397704_000 | computation | Reference Data From Materials Project: {formula:CeCdAu,spaceGroup:P-62m,id:mp-11082} |
| RD_560684953755_000 | computation | Reference Data From Materials Project: {formula:CeHfO4,spaceGroup:C2/c,id:mp-752669} |
| RD_560934690400_000 | computation | Reference Data From Materials Project: {formula:CeAlO3,spaceGroup:Pm-3m,id:mp-5323} |
| RD_562237598632_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_562330835221_000 | computation | Reference Data From Materials Project: {formula:CeAl4Ni,spaceGroup:Ccmm,id:mp-30750} |
| RD_563845678876_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_563862749637_000 | computation | Reference Data From Materials Project: {formula:Ce3LuSe6,spaceGroup:Pmnn,id:mp-645694} |
| RD_564705318683_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_566241864268_000 | computation | Reference Data From Materials Project: {formula:CeP,spaceGroup:Pm-3m,id:mp-21143} |
| RD_566302511526_000 | computation | Reference Data From Materials Project: {formula:CeMgAg2,spaceGroup:Fm-3m,id:mp-865037} |
| RD_566305930999_000 | computation | Reference Data From Materials Project: {formula:CeMnNi4,spaceGroup:F-43m,id:mp-5951} |
| RD_567098007881_000 | computation | Reference Data From Materials Project: {formula:CePd3,spaceGroup:Pm-3m,id:mp-2092} |
| RD_567184544073_000 | computation | Ce in AFLOW crystal prototype A_hP2_194_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_569042470360_000 | computation | Reference Data From Materials Project: {formula:CeInAu,spaceGroup:P-62m,id:mp-19718} |
| RD_569189951030_000 | computation | Reference Data From Materials Project: {formula:Ce(Al10Cr)2,spaceGroup:Fd-3m,id:mp-3910} |
| RD_569801790846_000 | computation | Reference Data From Materials Project: {formula:CeFeO3,spaceGroup:Pm-3m,id:mp-865008} |
| RD_569985528618_000 | computation | Reference Data From Materials Project: {formula:Ce3Sb3Au2,spaceGroup:P6_3/mmc,id:mp-569941} |
| RD_570845741399_000 | computation | Reference Data From Materials Project: {formula:NaCeAu2,spaceGroup:Fm-3m,id:mp-865080} |
| RD_571088535693_000 | computation | Reference Data From Materials Project: {formula:Ce2Ni12P7,spaceGroup:P-6,id:mp-569521} |
| RD_571610590129_000 | computation | Reference Data From Materials Project: {formula:CeBRh3,spaceGroup:Pm-3m,id:mp-510376} |
| RD_572075132046_000 | computation | Reference Data From Materials Project: {formula:CaCeC2O6F,spaceGroup:C2/c,id:mp-662583} |
| RD_572807984835_000 | computation | Reference Data From Materials Project: {formula:Ba8Ce3(SbO6)4,spaceGroup:I4/mmm,id:mp-561045} |
| RD_574518218018_000 | computation | Reference Data From Materials Project: {formula:CeBMoO6,spaceGroup:P2_1/c,id:mp-642871} |
| RD_574851297428_000 | computation | Reference Data From Materials Project: {formula:Ba(CeS2)2,spaceGroup:I-42d,id:mp-38417} |
| RD_575054408553_000 | computation | Reference Data From Materials Project: {formula:CeIr3,spaceGroup:R-3m,id:mp-31100} |
| RD_575651027675_000 | computation | Reference Data From Materials Project: {formula:CeMgTl,spaceGroup:P-62m,id:mp-21518} |
| RD_577005334218_000 | computation | Reference Data From Materials Project: {formula:Yb11(Ce2Se11)2,spaceGroup:C2/m,id:mp-641804} |
| RD_578519268088_000 | computation | Reference Data From Materials Project: {formula:Ce2In,spaceGroup:P6_3/mmc,id:mp-19733} |
| RD_578729841579_000 | computation | Reference Data From Materials Project: {formula:Ce13Zn58,spaceGroup:P6_3/mmc,id:mp-568360} |
| RD_578732266668_000 | computation | Reference Data From Materials Project: {formula:Ce(AgGe)2,spaceGroup:I4/mmm,id:mp-12063} |
| RD_579162379829_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_579527945329_000 | computation | Reference Data From Materials Project: {formula:Ce4Al23Ni6,spaceGroup:C2/m,id:mp-582245} |
| RD_579842654259_000 | computation | Ce in AFLOW crystal prototype A_oC4_63_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_580254292273_000 | computation | Reference Data From Materials Project: {formula:CeInIr,spaceGroup:P-62m,id:mp-20449} |
| RD_580964456779_000 | computation | Reference Data From Materials Project: {formula:Ce9(Ni13P6)2,spaceGroup:P-6m2,id:mp-649704} |
| RD_581384040698_000 | computation | Reference Data From Materials Project: {formula:Ce(SiAu2)2,spaceGroup:P-4m2,id:mp-601420} |
| RD_582253339946_000 | computation | Reference Data From Materials Project: {formula:CeF3,spaceGroup:P-3c1,id:mp-510560} |
| RD_582910458488_000 | computation | Reference Data From Materials Project: {formula:CeOF,spaceGroup:P4/nmm,id:mp-755074} |
| RD_584198036851_000 | computation | Reference Data From Materials Project: {formula:CeOF,spaceGroup:F-43m,id:mp-34976} |
| RD_584913777243_000 | computation | Reference Data From Materials Project: {formula:CeMg,spaceGroup:Pm-3m,id:mp-1062} |
| RD_585177409996_000 | computation | Reference Data From Materials Project: {formula:CePb3,spaceGroup:Pm-3m,id:mp-20225} |
| RD_586375250340_000 | computation | Reference Data From Materials Project: {formula:BaCe2O4,spaceGroup:Pnma,id:mp-778873} |
| RD_587062508010_000 | computation | Ce in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_587519110941_000 | computation | Reference Data From Materials Project: {formula:K2CeTa5O15,spaceGroup:P4/mbm,id:mp-21542} |
| RD_587661822525_000 | computation | Reference Data From Materials Project: {formula:Ce2Se3,spaceGroup:I-42d,id:mp-32578} |
| RD_589074023107_000 | computation | Reference Data From Materials Project: {formula:Ce(P3Ru)4,spaceGroup:Im3,id:mp-10069} |
| RD_589621832294_000 | computation | Reference Data From Materials Project: {formula:Ce4Bi3,spaceGroup:I-43d,id:mp-23252} |
| RD_589820296227_000 | computation | Reference Data From Materials Project: {formula:Ce5C2Cl9,spaceGroup:P-1,id:mp-627409} |
| RD_589883101165_000 | computation | Reference Data From Materials Project: {formula:Ce(SnPt)2,spaceGroup:P4/nmm,id:mp-672267} |
| RD_590484525159_000 | computation | CeO in AFLOW crystal prototype A2B3_mC30_12_3i_a4i (metal-nitride; Ca3N2, ICSD #162794). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_590655905290_000 | computation | Reference Data From Materials Project: {formula:CeSi2Pt,spaceGroup:Cmcm,id:mp-3284} |
| RD_591521735272_000 | computation | Reference Data From Materials Project: {formula:CeCd2,spaceGroup:P-3m1,id:mp-622107} |
| RD_591815331235_000 | computation | Reference Data From Materials Project: {formula:Ce20Ti11(S22O3)2,spaceGroup:Pnmm,id:mp-651710} |
| RD_592758872289_000 | computation | Reference Data From Materials Project: {formula:LiCeSn2,spaceGroup:Ccmm,id:mp-20754} |
| RD_595621203312_000 | computation | Reference Data From Materials Project: {formula:Ce(SiAu2)2,spaceGroup:Cmmm,id:mp-569496} |
| RD_595937780386_000 | computation | Reference Data From Materials Project: {formula:CeGaNi,spaceGroup:Pmcn,id:mp-600663} |
| RD_596648903043_000 | computation | Reference Data From Materials Project: {formula:Ce2USe4,spaceGroup:I-42d,id:mp-676083} |
| RD_597024166678_000 | computation | Reference Data From Materials Project: {formula:CeAlNi,spaceGroup:P-62m,id:mp-11351} |
| RD_597861154105_000 | computation | Reference Data From Materials Project: {formula:CeBiS2O,spaceGroup:P4/nmm,id:mp-610469} |
| RD_598728135970_000 | computation | Reference Data From Materials Project: {formula:CeCd11,spaceGroup:Pm-3m,id:mp-640089} |
| RD_601133709173_000 | computation | Reference Data From Materials Project: {formula:CeAs,spaceGroup:Fm-3m,id:mp-2748} |
| RD_602880423624_000 | computation | Reference Data From Materials Project: {formula:CeZn2Ag,spaceGroup:Fm-3m,id:mp-867186} |
| RD_605308664081_000 | computation | Reference Data From Materials Project: {formula:CeCuGe,spaceGroup:P6_3/mmc,id:mp-20766} |
| RD_605831246882_000 | computation | Reference Data From Materials Project: {formula:CeSiBO5,spaceGroup:P3_1,id:mp-22225} |
| RD_606734858911_000 | computation | Reference Data From Materials Project: {formula:Ce4Sn25Pt12,spaceGroup:Im3,id:mp-640776} |
| RD_607208835391_000 | computation | Reference Data From Materials Project: {formula:Ce5Al2Ru3,spaceGroup:I2_13,id:mp-865967} |
| RD_610700126989_000 | computation | Reference Data From Materials Project: {formula:Ce3MnBi5,spaceGroup:P6_3/mcm,id:mp-639263} |
| RD_611481769682_000 | computation | Reference Data From Materials Project: {formula:CeHfO4,spaceGroup:Pmn2_1,id:mp-850866} |
| RD_612950930428_000 | computation | Reference Data From Materials Project: {formula:Ce(BIr)2,spaceGroup:Fddd,id:mp-8680} |
| RD_614268222567_000 | computation | Reference Data From Materials Project: {formula:CeTlAg2,spaceGroup:Fm-3m,id:mp-867298} |
| RD_614678443618_000 | computation | Reference Data From Materials Project: {formula:Ce(SiRh)2,spaceGroup:I4/mmm,id:mp-4090} |
| RD_615647186123_000 | computation | Reference Data From Materials Project: {formula:CePt5,spaceGroup:P6/mmm,id:mp-542777} |
| RD_615664923636_000 | computation | Reference Data From Materials Project: {formula:CeAsPd,spaceGroup:P6_3/mmc,id:mp-8948} |
| RD_616633535603_000 | computation | CeO in AFLOW crystal prototype A7B12_hR19_148_af_2f. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_616670635428_000 | computation | Reference Data From Materials Project: {formula:CeIr5,spaceGroup:P6/mmm,id:mp-30507} |
| RD_616738797240_000 | computation | Reference Data From Materials Project: {formula:NaCeS2,spaceGroup:I4_1/amd,id:mp-36536} |
| RD_617165538654_000 | computation | Reference Data From Materials Project: {formula:Ce(PO3)3,spaceGroup:C222_1,id:mp-5843} |
| RD_617700568707_000 | computation | Reference Data From Materials Project: {formula:CeInAg2,spaceGroup:Fm-3m,id:mp-672191} |
| RD_619539038670_000 | computation | Reference Data From Materials Project: {formula:CeB6,spaceGroup:Pm-3m,id:mp-21343} |
| RD_620541748974_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_621643211792_000 | computation | Reference Data From Materials Project: {formula:CeNi2,spaceGroup:Fd-3m,id:mp-1654} |
| RD_623385087350_000 | computation | Reference Data From Materials Project: {formula:Ce3(Al3Ru)4,spaceGroup:P6_3/mmc,id:mp-31079} |
| RD_623550444760_000 | computation | Reference Data From Materials Project: {formula:Ce2O3,spaceGroup:Ia3,id:mp-542313} |
| RD_623709069217_000 | computation | Reference Data From Materials Project: {formula:NaCeTl2,spaceGroup:Fm-3m,id:mp-865089} |
| RD_623955352000_000 | computation | Reference Data From Materials Project: {formula:CeSnPd,spaceGroup:Pmnb,id:mp-21490} |
| RD_624024446232_000 | computation | Reference Data From Materials Project: {formula:CeAg3,spaceGroup:P6_3/mmc,id:mp-862709} |
| RD_624327911901_000 | computation | Reference Data From Materials Project: {formula:CeGa3,spaceGroup:P6_3/mmc,id:mp-862696} |
| RD_625287572629_000 | computation | Reference Data From Materials Project: {formula:CeMgZn2,spaceGroup:Fm-3m,id:mp-13254} |
| RD_626225541273_000 | computation | Reference Data From Materials Project: {formula:CeCrGe3,spaceGroup:P6_3/mmc,id:mp-20650} |
| RD_626841541424_000 | computation | Reference Data From Materials Project: {formula:CeAl4Co,spaceGroup:Pmcm,id:mp-13504} |
| RD_627407018893_000 | computation | Reference Data From Materials Project: {formula:CeCu5,spaceGroup:P6/mmm,id:mp-761} |
| RD_627567487963_000 | computation | Reference Data From Materials Project: {formula:Ce2Th2O7,spaceGroup:P-4m2,id:mp-759386} |
| RD_627701655441_000 | computation | Reference Data From Materials Project: {formula:CeCo3,spaceGroup:R-3m,id:mp-570872} |
| RD_627934542282_000 | computation | CeO in AFLOW crystal prototype A2B3_mC10_5_c_ac. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_628343354438_000 | computation | Reference Data From Materials Project: {formula:CeZn3Pd2,spaceGroup:P6/mmm,id:mp-13118} |
| RD_628999450460_000 | computation | Reference Data From Materials Project: {formula:Ce3Co4Sn13,spaceGroup:Pm-3n,id:mp-21915} |
| RD_631181437137_000 | computation | Reference Data From Materials Project: {formula:Ce(PRu)2,spaceGroup:I4/mmm,id:mp-574244} |
| RD_631646115312_000 | computation | Reference Data From Materials Project: {formula:CeH14Cl3O7,spaceGroup:P-1,id:mp-505786} |
| RD_632269896507_000 | computation | Reference Data From Materials Project: {formula:Ce2MnN3,spaceGroup:Immm,id:mp-10068} |
| RD_632486107139_000 | computation | Reference Data From Materials Project: {formula:BaCeI4,spaceGroup:C2/c,id:mp-569380} |
| RD_632983885382_000 | computation | Reference Data From Materials Project: {formula:CeSiIr,spaceGroup:P2_13,id:mp-21441} |
| RD_633051471786_000 | computation | Reference Data From Materials Project: {formula:Ce3(InRu)2,spaceGroup:Pmcn,id:mp-21556} |
| RD_634115787041_000 | computation | Reference Data From Materials Project: {formula:Ce3In3Ru2,spaceGroup:C2/m,id:mp-606102} |
| RD_634218329495_000 | computation | Reference Data From Materials Project: {formula:CeAlPt,spaceGroup:Pmnb,id:mp-19827} |
| RD_634235834172_000 | computation | Reference Data From Materials Project: {formula:Ce6Th4O19,spaceGroup:Cm,id:mp-676287} |
| RD_634691166225_000 | computation | Reference Data From Materials Project: {formula:Ce3(Ge3Pd10)2,spaceGroup:Fm-3m,id:mp-672275} |
| RD_635251861271_000 | computation | Reference Data From Materials Project: {formula:CeS,spaceGroup:Fm-3m,id:mp-1096} |
| RD_635996237634_000 | computation | Reference Data From Materials Project: {formula:Ce(IO3)3,spaceGroup:P2_1/c,id:mp-510464} |
| RD_637363241241_000 | computation | Reference Data From Materials Project: {formula:CeMg2H7,spaceGroup:P4_12_12,id:mp-697677} |
| RD_637468798608_000 | computation | Reference Data From Materials Project: {formula:CeZn5,spaceGroup:P6/mmm,id:mp-394} |
| RD_638243259016_000 | computation | Reference Data From Materials Project: {formula:CeSi,spaceGroup:Pmcn,id:mp-21115} |
| RD_639431893110_000 | computation | Reference Data From Materials Project: {formula:CePt2,spaceGroup:Fd-3m,id:mp-2109} |
| RD_639970991882_000 | computation | Reference Data From Materials Project: {formula:CeCrSe2O,spaceGroup:C2/m,id:mp-19375} |
| RD_640033997699_000 | computation | Reference Data From Materials Project: {formula:CePt,spaceGroup:Ccmm,id:mp-21245} |
| RD_641591025578_000 | computation | Reference Data From Materials Project: {formula:CeZnRh,spaceGroup:Pmnb,id:mp-607738} |
| RD_641595182631_000 | computation | Reference Data From Materials Project: {formula:Ce3Si2S8Cl,spaceGroup:C2/c,id:mp-542133} |
| RD_641795007106_000 | computation | Reference Data From Materials Project: {formula:Yb2Ce8O19,spaceGroup:P-4m2,id:mp-677392} |
| RD_642195085293_000 | computation | Reference Data From Materials Project: {formula:Ce2AgPb,spaceGroup:Fm-3m,id:mp-867239} |
| RD_643387592327_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_643780217921_000 | computation | Reference Data From Materials Project: {formula:CeTe3,spaceGroup:Ccmm,id:mp-571571} |
| RD_643810792011_000 | computation | Reference Data From Materials Project: {formula:Ba4Ce2O7,spaceGroup:Cmce,id:mp-770465} |
| RD_645415229589_000 | computation | Reference Data From Materials Project: {formula:Ce3NbS3O4,spaceGroup:Pcma,id:mp-683997} |
| RD_646079728757_000 | computation | Reference Data From Materials Project: {formula:CeP5,spaceGroup:P2_1/m,id:mp-566} |
| RD_646386196749_000 | computation | Reference Data From Materials Project: {formula:Ce5Ge2Ru,spaceGroup:Pcmn,id:mp-21651} |
| RD_646924000618_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_647062361563_000 | computation | Reference Data From Materials Project: {formula:CeAsSe,spaceGroup:Pmnb,id:mp-607004} |
| RD_647432148307_000 | computation | Reference Data From Materials Project: {formula:CeNi,spaceGroup:Ccmm,id:mp-21188} |
| RD_652180076802_000 | computation | Reference Data From Materials Project: {formula:Ce2SiSeO4,spaceGroup:Pbcm,id:mp-542664} |
| RD_653328755733_000 | computation | Reference Data From Materials Project: {formula:Ce2Zn2Cu5,spaceGroup:R-3m,id:mp-640899} |
| RD_654579503167_000 | computation | Reference Data From Materials Project: {formula:KCeSiS4,spaceGroup:P2_1,id:mp-22809} |
| RD_655935185581_000 | computation | Reference Data From Materials Project: {formula:Ce7C3I10,spaceGroup:P-1,id:mp-568922} |
| RD_656488732502_000 | computation | Reference Data From Materials Project: {formula:CeFeO3,spaceGroup:Pbnm,id:mp-776515} |
| RD_656630765229_000 | computation | Reference Data From Materials Project: {formula:CeB2Ru3,spaceGroup:P6/mmm,id:mp-5940} |
| RD_661103407128_000 | computation | Reference Data From Materials Project: {formula:Ce(NiGe)2,spaceGroup:I4/mmm,id:mp-3325} |
| RD_661462081010_000 | computation | Reference Data From Materials Project: {formula:CeCrS3,spaceGroup:Pmnb,id:mp-21871} |
| RD_662374236402_000 | computation | Reference Data From Materials Project: {formula:CeSiNi,spaceGroup:I4_1md,id:mp-20710} |
| RD_663213513959_000 | computation | Reference Data From Materials Project: {formula:CeAlPd,spaceGroup:P-62m,id:mp-21158} |
| RD_663318945812_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_663364720857_000 | computation | Reference Data From Materials Project: {formula:BaCe2FeS5,spaceGroup:I4/mcm,id:mp-16532} |
| RD_664681195104_000 | computation | Reference Data From Materials Project: {formula:CeAl4,spaceGroup:I4/mmm,id:mp-2289} |
| RD_665294752345_000 | computation | Ce in AFLOW crystal prototype A_hP2_194_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_665418946334_000 | computation | Reference Data From Materials Project: {formula:Li3Ce5Ge4,spaceGroup:C2mm,id:mp-20063} |
| RD_666930545535_000 | computation | Reference Data From Materials Project: {formula:Ce,spaceGroup:Im-3m,id:mp-10024} |
| RD_667717824576_000 | computation | Reference Data From Materials Project: {formula:CeMg2Cu9,spaceGroup:P6_3/mmc,id:mp-542934} |
| RD_667837309293_000 | computation | Reference Data From Materials Project: {formula:Ce3AlN,spaceGroup:Pm-3m,id:mp-10881} |
| RD_668159689234_000 | computation | Reference Data From Materials Project: {formula:Ce(InPt)2,spaceGroup:P2_1/m,id:mp-602328} |
| RD_668371522913_000 | computation | Reference Data From Materials Project: {formula:Ce3CuSnSe7,spaceGroup:P6_3,id:mp-542806} |
| RD_668431202890_000 | computation | Reference Data From Materials Project: {formula:Ce2PbSe4,spaceGroup:I-42d,id:mp-676072} |
| RD_670408461632_000 | computation | Reference Data From Materials Project: {formula:Ce7Ru3,spaceGroup:P6_3mc,id:mp-31164} |
| RD_671235442139_000 | computation | Reference Data From Materials Project: {formula:Ce2CdPt2,spaceGroup:P4/mbm,id:mp-11964} |
| RD_671339459256_000 | computation | Reference Data From Materials Project: {formula:CeAsRh,spaceGroup:Pmcn,id:mp-10478} |
| RD_672228014523_000 | computation | Reference Data From Materials Project: {formula:CeTl5Fe2(NO2)12,spaceGroup:Pn3,id:mp-579665} |
| RD_672258813840_000 | computation | Reference Data From Materials Project: {formula:K2CeNb5O15,spaceGroup:P4/mbm,id:mp-21546} |
| RD_673407857325_000 | computation | Reference Data From Materials Project: {formula:Ce3Ni2B2N3,spaceGroup:I4/mmm,id:mp-21136} |
| RD_674254208860_000 | computation | Reference Data From Materials Project: {formula:NaCeAu2,spaceGroup:Fm-3m,id:mp-865080} |
| RD_674760845932_000 | computation | Reference Data From Materials Project: {formula:Ce9DyO20,spaceGroup:P-1,id:mp-674320} |
| RD_675605744155_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_676200136879_000 | computation | Reference Data From Materials Project: {formula:Ce6P17Pd6,spaceGroup:I-43m,id:mp-504776} |
| RD_676559039861_000 | computation | Reference Data From Materials Project: {formula:Ce3MnAlS7,spaceGroup:P6_3,id:mp-866500} |
| RD_676620203984_000 | computation | Reference Data From Materials Project: {formula:BaNaCe2C4O12F,spaceGroup:P6_3/mmc,id:mp-542264} |
| RD_676832831805_000 | computation | Reference Data From Materials Project: {formula:CeSe,spaceGroup:Fm-3m,id:mp-2563} |
| RD_676860415946_000 | computation | Reference Data From Materials Project: {formula:Ce3MnBi5,spaceGroup:P6_3/mcm,id:mp-639263} |
| RD_678248948907_000 | computation | Reference Data From Materials Project: {formula:Ce5Y2O13,spaceGroup:R3m,id:mp-753355} |
| RD_678470179845_000 | computation | Reference Data From Materials Project: {formula:Ce2AgPb,spaceGroup:Fm-3m,id:mp-867239} |
| RD_678553499819_000 | computation | Reference Data From Materials Project: {formula:CeGaO3,spaceGroup:Pm-3m,id:mp-33365} |
| RD_678948492290_000 | computation | Reference Data From Materials Project: {formula:NaCeO2,spaceGroup:R-3m,id:mp-755581} |
| RD_679225626348_000 | computation | Reference Data From Materials Project: {formula:CeSn3,spaceGroup:Pm-3m,id:mp-1911} |
| RD_679831128916_000 | computation | Reference Data From Materials Project: {formula:CeZnSn,spaceGroup:P6_3/mmc,id:mp-20886} |
| RD_679840066001_000 | computation | Reference Data From Materials Project: {formula:CeCuSO,spaceGroup:P4/nmm,id:mp-635469} |
| RD_679930202329_000 | computation | Reference Data From Materials Project: {formula:CeTlPd,spaceGroup:P-62m,id:mp-30512} |
| RD_680551317711_000 | computation | Reference Data From Materials Project: {formula:Ce(Al10Co)2,spaceGroup:Fd-3m,id:mp-16966} |
| RD_680641062187_000 | computation | Reference Data From Materials Project: {formula:CeAlO3,spaceGroup:I4/mcm,id:mp-4096} |
| RD_680695107256_000 | computation | Reference Data From Materials Project: {formula:Ce6Y26O51,spaceGroup:P1,id:mp-530883} |
| RD_680932545215_000 | computation | Reference Data From Materials Project: {formula:CeInAu,spaceGroup:P-62m,id:mp-19718} |
| RD_681254631834_000 | computation | Reference Data From Materials Project: {formula:La2Ce2O7,spaceGroup:Fd-3m,id:mp-755450} |
| RD_681292208813_000 | computation | Reference Data From Materials Project: {formula:Ce3Ga,spaceGroup:Pm-3m,id:mp-19920} |
| RD_681803830388_000 | computation | Reference Data From Materials Project: {formula:Ce2O3,spaceGroup:P321,id:mp-20169} |
| RD_683176335904_000 | computation | Reference Data From Materials Project: {formula:CeZr6(PO4)9,spaceGroup:P-3c1,id:mp-555444} |
| RD_683486445349_000 | computation | Reference Data From Materials Project: {formula:Ce2Si3Rh,spaceGroup:P6/mmm,id:mp-31163} |
| RD_685750206564_000 | computation | Reference Data From Materials Project: {formula:Na5Ce3Ti6Nb2O24,spaceGroup:Pm,id:mp-691045} |
| RD_685856730988_000 | computation | Reference Data From Materials Project: {formula:Ce7O12,spaceGroup:R-3,id:mp-2629} |
| RD_686114549475_000 | computation | Reference Data From Materials Project: {formula:CeAsO4,spaceGroup:P2_1/c,id:mp-10772} |
| RD_686771276650_000 | computation | Reference Data From Materials Project: {formula:Ce2SeF4,spaceGroup:R-3m,id:mp-27617} |
| RD_688231630591_000 | computation | Reference Data From Materials Project: {formula:CeP5O14,spaceGroup:Pncm,id:mp-647391} |
| RD_688694439709_000 | computation | Reference Data From Materials Project: {formula:TbCeO4,spaceGroup:F-43m,id:mp-777760} |
| RD_689842987329_000 | computation | Reference Data From Materials Project: {formula:Ce10Ga5Br4,spaceGroup:I4/mcm,id:mp-571439} |
| RD_690201495343_000 | computation | Reference Data From Materials Project: {formula:CeP,spaceGroup:Fm-3m,id:mp-2154} |
| RD_690528505330_000 | computation | Reference Data From Materials Project: {formula:Ce4Se3O4,spaceGroup:Cm2m,id:mp-552177} |
| RD_690977762221_000 | computation | Reference Data From Materials Project: {formula:Ce3MgAlS7,spaceGroup:P6_3,id:mp-866517} |
| RD_691439525470_000 | computation | Reference Data From Materials Project: {formula:CeTh2O6,spaceGroup:Immm,id:mp-752798} |
| RD_691945852889_000 | computation | Reference Data From Materials Project: {formula:Ce3AgGeS7,spaceGroup:P6_3,id:mp-866604} |
| RD_692140392779_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ce, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-28) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_693013010911_000 | computation | Reference Data From Materials Project: {formula:BaCeO3,spaceGroup:Pnam,id:mp-3187} |
| RD_694680747290_000 | computation | Reference Data From Materials Project: {formula:Rb5CeCu2(NO2)12,spaceGroup:Pn3,id:mp-559047} |
| RD_695220261868_000 | computation | Reference Data From Materials Project: {formula:CeTl5Ni2(NO2)12,spaceGroup:Pn3,id:mp-565250} |
| RD_696121361290_000 | computation | Reference Data From Materials Project: {formula:CeCdHg2,spaceGroup:Fm-3m,id:mp-866274} |
| RD_697331506978_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_697454182236_000 | computation | Reference Data From Materials Project: {formula:CeMgCu2,spaceGroup:P6_3/mmc,id:mp-22237} |
| RD_697820271813_000 | computation | Reference Data From Materials Project: {formula:CeTmS3,spaceGroup:Pmnb,id:mp-683985} |
| RD_698190125105_000 | computation | Reference Data From Materials Project: {formula:Ce5NiGe2,spaceGroup:P4/ncc,id:mp-616173} |
| RD_699566153784_000 | computation | Reference Data From Materials Project: {formula:CeHSO5,spaceGroup:P2_1/c,id:mp-510452} |
| RD_701675399885_000 | computation | Reference Data From Materials Project: {formula:Na3Ce5Cl18,spaceGroup:P-6,id:mp-675238} |
| RD_701973646677_000 | computation | Reference Data From Materials Project: {formula:CeBi,spaceGroup:Pm-3m,id:mp-639445} |
| RD_703556970729_000 | computation | Reference Data From Materials Project: {formula:CeAlPd,spaceGroup:P-62m,id:mp-21158} |
| RD_703565828149_000 | computation | Reference Data From Materials Project: {formula:Ce3Th2O9,spaceGroup:Im2m,id:mp-753555} |
| RD_703598480838_000 | computation | Reference Data From Materials Project: {formula:Ce15B8N25,spaceGroup:R-3c,id:mp-28370} |
| RD_705476829993_000 | computation | Reference Data From Materials Project: {formula:CeCdAg2,spaceGroup:Fm-3m,id:mp-865552} |
| RD_705649327222_000 | computation | Reference Data From Materials Project: {formula:Ce2Sc3Si4,spaceGroup:Pnam,id:mp-505512} |
| RD_706696395965_000 | computation | Reference Data From Materials Project: {formula:Ce(Ni2B)6,spaceGroup:Cmc2_1,id:mp-21695} |
| RD_707271721208_000 | computation | Reference Data From Materials Project: {formula:Ce2SO2,spaceGroup:P-3m1,id:mp-3972} |
| RD_708220817900_000 | computation | Reference Data From Materials Project: {formula:CeBiPd,spaceGroup:F-43m,id:mp-604453} |
| RD_710378543958_000 | computation | Reference Data From Materials Project: {formula:Ce3Al,spaceGroup:P6_3/mmc,id:mp-21393} |
| RD_710429847126_000 | computation | Reference Data From Materials Project: {formula:LiCeO2,spaceGroup:P2_1/c,id:mp-8412} |
| RD_710707154285_000 | computation | Reference Data From Materials Project: {formula:Ce2Dy2O7,spaceGroup:P-4m2,id:mp-755380} |
| RD_711028979415_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_711730127977_000 | computation | Reference Data From Materials Project: {formula:Ce2Co7B3,spaceGroup:P6/mmm,id:mp-504616} |
| RD_712132331971_000 | computation | Reference Data From Materials Project: {formula:CeZn2,spaceGroup:Imcm,id:mp-1385} |
| RD_714588521122_000 | computation | Ce in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_716036095511_000 | computation | Reference Data From Materials Project: {formula:Ce2Bi5Rh3,spaceGroup:Ccm2_1,id:mp-606121} |
| RD_716147179592_000 | computation | Reference Data From Materials Project: {formula:CeZnPd,spaceGroup:Pmnb,id:mp-13381} |
| RD_716700151805_000 | computation | Reference Data From Materials Project: {formula:CeNbO4,spaceGroup:I4_1/a,id:mp-557564} |
| RD_717011553260_000 | computation | Reference Data From Materials Project: {formula:Ce2Te4O11,spaceGroup:C2/c,id:mp-31248} |
| RD_717830511599_000 | computation | Reference Data From Materials Project: {formula:CeBPt4,spaceGroup:P6/mmm,id:mp-20051} |
| RD_718572310620_000 | computation | Reference Data From Materials Project: {formula:CeSe,spaceGroup:Fm-3m,id:mp-2563} |
| RD_718602872189_000 | computation | Reference Data From Materials Project: {formula:Ce16Ru9,spaceGroup:R-3m,id:mp-570369} |
| RD_719390117454_000 | computation | Reference Data From Materials Project: {formula:CeAg6(NO3)9,spaceGroup:R-3c,id:mp-560230} |
| RD_719880200408_000 | computation | Reference Data From Materials Project: {formula:CeAl3Ni2,spaceGroup:P6/mmm,id:mp-20338} |
| RD_720511688928_000 | computation | Reference Data From Materials Project: {formula:CeMo5O8,spaceGroup:P2_1/c,id:mp-542272} |
| RD_721003694891_000 | computation | Reference Data From Materials Project: {formula:Ce2Fe17,spaceGroup:R-3m,id:mp-654} |
| RD_721344188393_000 | computation | Reference Data From Materials Project: {formula:Ce2Co7B3,spaceGroup:P6/mmm,id:mp-504616} |
| RD_721455073145_000 | computation | Reference Data From Materials Project: {formula:Ce2Sb,spaceGroup:I4/mmm,id:mp-22678} |
| RD_721900992985_000 | computation | Reference Data From Materials Project: {formula:Cs3CeF6,spaceGroup:Fm-3m,id:mp-632715} |
| RD_722113716125_000 | computation | Reference Data From Materials Project: {formula:CeP2O7,spaceGroup:Pa3,id:mp-22524} |
| RD_725182105986_000 | computation | Reference Data From Materials Project: {formula:CeCu6,spaceGroup:P2_1/c,id:mp-581942} |
| RD_725484239299_000 | computation | Reference Data From Materials Project: {formula:Ce2(Al5Ru)3,spaceGroup:P6_3/mcm,id:mp-567554} |
| RD_725969983505_000 | computation | Reference Data From Materials Project: {formula:Ce2Sm2O7,spaceGroup:Fd-3m,id:mp-752400} |
| RD_725986221602_000 | computation | Reference Data From Materials Project: {formula:CeGeAu,spaceGroup:F-43m,id:mp-20275} |
| RD_726090985957_000 | computation | Reference Data From Materials Project: {formula:CeInAu2,spaceGroup:Fm-3m,id:mp-636232} |
| RD_726218347556_000 | computation | Reference Data From Materials Project: {formula:Ce3B2(ClO2)3,spaceGroup:P6_3/m,id:mp-680695} |
| RD_726707952690_000 | computation | Reference Data From Materials Project: {formula:CeSiCu,spaceGroup:P6_3/mmc,id:mp-22740} |
| RD_726921566821_000 | computation | Reference Data From Materials Project: {formula:CeZnSn,spaceGroup:P6_3/mmc,id:mp-20886} |
| RD_727343137214_000 | computation | Reference Data From Materials Project: {formula:CeCoGe3,spaceGroup:I4mm,id:mp-21116} |
| RD_727349085700_000 | computation | Reference Data From Materials Project: {formula:K3Ce(PO4)2,spaceGroup:P2_1/m,id:mp-17189} |
| RD_728610683852_000 | computation | Reference Data From Materials Project: {formula:Rb3Ce2(NO3)9,spaceGroup:P4_132,id:mp-667353} |
| RD_729360365692_000 | computation | Reference Data From Materials Project: {formula:Ce2Si7Rh15,spaceGroup:Pm-3m,id:mp-628614} |
| RD_729401931402_000 | computation | Reference Data From Materials Project: {formula:CeMg2,spaceGroup:Fd-3m,id:mp-21419} |
| RD_729957342236_000 | computation | Reference Data From Materials Project: {formula:Ce2SmS4,spaceGroup:I-42d,id:mp-37045} |
| RD_730334907634_000 | computation | Reference Data From Materials Project: {formula:Ce6Si4S17,spaceGroup:P-1,id:mp-680697} |
| RD_731771594767_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_731891875376_000 | computation | Reference Data From Materials Project: {formula:CeZnGe,spaceGroup:P6_3/mmc,id:mp-19927} |
| RD_732411118401_000 | computation | Reference Data From Materials Project: {formula:Ce4Y2O11,spaceGroup:P-4m2,id:mp-760491} |
| RD_732736053047_000 | computation | Reference Data From Materials Project: {formula:CeSnPt,spaceGroup:P-62m,id:mp-22763} |
| RD_733998254471_000 | computation | Reference Data From Materials Project: {formula:Yb(CeS2)2,spaceGroup:I-42d,id:mp-676762} |
| RD_735593477300_000 | computation | Ce in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_735789714108_000 | computation | Reference Data From Materials Project: {formula:Ce(SiCu)2,spaceGroup:I4/mmm,id:mp-5452} |
| RD_736570535324_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_737139692051_000 | computation | Reference Data From Materials Project: {formula:CeP4(ClO)13,spaceGroup:P2_1/c,id:mp-662607} |
| RD_737482959034_000 | computation | Reference Data From Materials Project: {formula:CeB2Rh2C,spaceGroup:I4/mmm,id:mp-6191} |
| RD_737869562943_000 | computation | Reference Data From Materials Project: {formula:CeCuSn,spaceGroup:P6_3mc,id:mp-22683} |
| RD_737928523941_000 | computation | Reference Data From Materials Project: {formula:CeBiPd,spaceGroup:F-43m,id:mp-604453} |
| RD_739675638437_000 | computation | Reference Data From Materials Project: {formula:CeB2Ir3,spaceGroup:P6/mmm,id:mp-11593} |
| RD_740172730306_000 | computation | Reference Data From Materials Project: {formula:Ce2Ni22C3,spaceGroup:Ccme,id:mp-569096} |
| RD_740264635289_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_740432218757_000 | computation | Reference Data From Materials Project: {formula:CeCoSi2,spaceGroup:Cmcm,id:mp-7095} |
| RD_740872816628_000 | computation | Reference Data From Materials Project: {formula:KCeSe4,spaceGroup:P4/nbm,id:mp-22395} |
| RD_741157217403_000 | computation | Reference Data From Materials Project: {formula:Ce2Co17,spaceGroup:P6_3/mmc,id:mp-2216} |
| RD_745578845328_000 | computation | Reference Data From Materials Project: {formula:CeAl,spaceGroup:Pm-3m,id:mp-10879} |
| RD_747034837732_000 | computation | Reference Data From Materials Project: {formula:CeIn3,spaceGroup:Pm-3m,id:mp-20369} |
| RD_747243901415_000 | computation | Reference Data From Materials Project: {formula:Ce2S3,spaceGroup:I-42d,id:mp-32629} |
| RD_748623420206_000 | computation | Reference Data From Materials Project: {formula:CeCdAu2,spaceGroup:Fm-3m,id:mp-866185} |
| RD_749868662956_000 | computation | Reference Data From Materials Project: {formula:CeNi2B2C,spaceGroup:I4/mmm,id:mp-10860} |
| RD_749950328982_000 | computation | Reference Data From Materials Project: {formula:CeBi,spaceGroup:Pm-3m,id:mp-639445} |
| RD_751498963167_000 | computation | Reference Data From Materials Project: {formula:Ce2Ti2O7,spaceGroup:Fd-3m,id:mp-755065} |
| RD_751991682891_000 | computation | Reference Data From Materials Project: {formula:CeMgPd,spaceGroup:P-62m,id:mp-19731} |
| RD_751993904551_000 | computation | Reference Data From Materials Project: {formula:CeInAu2,spaceGroup:Fm-3m,id:mp-636232} |
| RD_752389866775_000 | computation | Reference Data From Materials Project: {formula:YbCeHg2,spaceGroup:Fm-3m,id:mp-865755} |
| RD_752752955514_000 | computation | Reference Data From Materials Project: {formula:CeCo3B2,spaceGroup:P6/mmm,id:mp-4454} |
| RD_752825469716_000 | computation | Reference Data From Materials Project: {formula:Ce3(AgSn)4,spaceGroup:Immm,id:mp-581496} |
| RD_753859713832_000 | computation | Reference Data From Materials Project: {formula:Ce(PRh)2,spaceGroup:P4/nmm,id:mp-505502} |
| RD_754905824130_000 | computation | Reference Data From Materials Project: {formula:YbCeZn2,spaceGroup:Fm-3m,id:mp-865781} |
| RD_755036462168_000 | computation | Reference Data From Materials Project: {formula:CeSc3(BO3)4,spaceGroup:R32,id:mp-16097} |
| RD_755441332957_000 | computation | Reference Data From Materials Project: {formula:Ce4Co2Sn5,spaceGroup:C2/m,id:mp-542752} |
| RD_757188974488_000 | computation | Reference Data From Materials Project: {formula:TbCeO4,spaceGroup:P2_1/m,id:mp-756106} |
| RD_757581986342_000 | computation | Reference Data From Materials Project: {formula:K5CeCu2(NO2)12,spaceGroup:Pn3,id:mp-683928} |
| RD_759021763441_000 | computation | Reference Data From Materials Project: {formula:Ce,spaceGroup:Im-3m,id:mp-10024} |
| RD_761117109348_000 | computation | Reference Data From Materials Project: {formula:NaCeTiNbO6F,spaceGroup:P4_122,id:mp-43055} |
| RD_761873212193_000 | computation | Reference Data From Materials Project: {formula:Rb2Ce(NO3)6,spaceGroup:P2_1/c,id:mp-557282} |
| RD_761878649599_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_762846442274_000 | computation | Reference Data From Materials Project: {formula:CeAlSi2,spaceGroup:P-3m1,id:mp-9400} |
| RD_762939808974_000 | computation | Reference Data From Materials Project: {formula:Ce2Sn5,spaceGroup:Cmmm,id:mp-541131} |
| RD_763512287075_000 | computation | Reference Data From Materials Project: {formula:Ce(GePt)2,spaceGroup:I4/mmm,id:mp-20110} |
| RD_764476341791_000 | computation | Reference Data From Materials Project: {formula:CeErS3,spaceGroup:Pmnb,id:mp-638813} |
| RD_764496942087_000 | computation | Reference Data From Materials Project: {formula:Ce(CoB)4,spaceGroup:P4_2/nmc,id:mp-22165} |
| RD_764574189764_000 | computation | Reference Data From Materials Project: {formula:CeH16C4Cl3O4,spaceGroup:P2_1/c,id:mp-554484} |
| RD_768312330219_000 | computation | Reference Data From Materials Project: {formula:KCeSiS4,spaceGroup:P2_1/m,id:mp-11170} |
| RD_768440059091_000 | computation | Reference Data From Materials Project: {formula:CeTe,spaceGroup:Fm-3m,id:mp-1525} |
| RD_769271948902_000 | computation | Reference Data From Materials Project: {formula:CeZr11O24,spaceGroup:P1,id:mp-752706} |
| RD_770761591963_000 | computation | Reference Data From Materials Project: {formula:Ce(PPt2)2,spaceGroup:Pmnb,id:mp-607725} |
| RD_771428362059_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_772594100379_000 | computation | Reference Data From Materials Project: {formula:CeSmI4,spaceGroup:C2/c,id:mp-570470} |
| RD_773302459337_000 | computation | Reference Data From Materials Project: {formula:Ce3PbC,spaceGroup:Pm-3m,id:mp-20550} |
| RD_774321808285_000 | computation | Reference Data From Materials Project: {formula:SrCeN2,spaceGroup:R-3m,id:mp-11178} |
| RD_774514502826_000 | computation | Reference Data From Materials Project: {formula:Ce4ThO8,spaceGroup:Immm,id:mp-753957} |
| RD_775127908961_000 | computation | Reference Data From Materials Project: {formula:Ba3CeRu2O9,spaceGroup:P6_3/mmc,id:mp-6301} |
| RD_776150190037_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_776757158024_000 | computation | Ce in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_777465369897_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_778932943886_000 | computation | Reference Data From Materials Project: {formula:Ce(GeIr)2,spaceGroup:P4/nmm,id:mp-510315} |
| RD_779383269922_000 | computation | Reference Data From Materials Project: {formula:CeGaO3,spaceGroup:Pm-3m,id:mp-22540} |
| RD_779528279041_000 | computation | Ce in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_780064604578_000 | computation | Reference Data From Materials Project: {formula:CeGaNi,spaceGroup:P-62m,id:mp-31492} |
| RD_780698335252_000 | computation | Reference Data From Materials Project: {formula:CeAl3Pd2,spaceGroup:P6/mmm,id:mp-4785} |
| RD_780903753094_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_782272503577_000 | computation | Reference Data From Materials Project: {formula:Ce2InNi2,spaceGroup:P4/mbm,id:mp-640108} |
| RD_783220495050_000 | computation | Reference Data From Materials Project: {formula:Ce(CoAs)2,spaceGroup:I4/mmm,id:mp-568182} |
| RD_783294422446_000 | computation | Reference Data From Materials Project: {formula:CeIn2Ir,spaceGroup:Cmcm,id:mp-21278} |
| RD_783406115646_000 | computation | Reference Data From Materials Project: {formula:CeMnGe,spaceGroup:P4/nmm,id:mp-21399} |
| RD_783600820901_000 | computation | Reference Data From Materials Project: {formula:Ba2Ce2O5,spaceGroup:Pbam,id:mp-769656} |
| RD_784278619909_000 | computation | Reference Data From Materials Project: {formula:Ce2Zn4Ru,spaceGroup:P4/nmm,id:mp-606377} |
| RD_787007298111_000 | computation | Reference Data From Materials Project: {formula:Ce10Y22O53,spaceGroup:P1,id:mp-531564} |
| RD_787408063026_000 | computation | Reference Data From Materials Project: {formula:CeZrO4,spaceGroup:P2_13,id:mp-4843} |
| RD_787490095436_000 | computation | Reference Data From Materials Project: {formula:CeAl2,spaceGroup:Fd-3m,id:mp-2088} |
| RD_787573268670_000 | computation | Reference Data From Materials Project: {formula:Ce2CoSi3,spaceGroup:P6/mmm,id:mp-20355} |
| RD_787894148866_000 | computation | Reference Data From Materials Project: {formula:Ce(BO2)3,spaceGroup:P2_1ca,id:mp-555610} |
| RD_790397215900_000 | computation | Reference Data From Materials Project: {formula:Ce(CrB3)2,spaceGroup:Immm,id:mp-2873} |
| RD_791417338532_000 | computation | Reference Data From Materials Project: {formula:Ce11MnS16,spaceGroup:P2_122_1,id:mp-675160} |
| RD_791497562704_000 | computation | Reference Data From Materials Project: {formula:CeScS3,spaceGroup:Pbnm,id:mp-20953} |
| RD_792512887367_000 | computation | Reference Data From Materials Project: {formula:KCeGeSe4,spaceGroup:P2_1,id:mp-21176} |
| RD_793620467577_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ce, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-28) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_794031246472_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_794460696048_000 | computation | Reference Data From Materials Project: {formula:Li2CeP2,spaceGroup:P-3m1,id:mp-9912} |
| RD_794622585466_000 | computation | Reference Data From Materials Project: {formula:Ce2Pd2Pb,spaceGroup:P4/mbm,id:mp-21443} |
| RD_795092871286_000 | computation | Reference Data From Materials Project: {formula:Ce3Ru,spaceGroup:Pbnm,id:mp-672261} |
| RD_795207562898_000 | computation | Reference Data From Materials Project: {formula:Ce(TeO3)2,spaceGroup:P2_1/c,id:mp-4599} |
| RD_795535281988_000 | computation | Reference Data From Materials Project: {formula:CeBiAu2,spaceGroup:Fm-3m,id:mp-861888} |
| RD_795817161665_000 | computation | Reference Data From Materials Project: {formula:Ce9B3C6Br5,spaceGroup:Pmnm,id:mp-680283} |
| RD_796207127984_000 | computation | Reference Data From Materials Project: {formula:Sr3CePC3O13,spaceGroup:R3m,id:mp-561145} |
| RD_797843571934_000 | computation | Reference Data From Materials Project: {formula:CeNiSb2,spaceGroup:P4/nmm,id:mp-22539} |
| RD_797899780270_000 | computation | Reference Data From Materials Project: {formula:CeSiI,spaceGroup:P-3m1,id:mp-29535} |
| RD_798326769415_000 | computation | Reference Data From Materials Project: {formula:CeIn5Ir,spaceGroup:P4/mmm,id:mp-20975} |
| RD_800205511819_000 | computation | Reference Data From Materials Project: {formula:Ce(FeP3)4,spaceGroup:Im3,id:mp-16272} |
| RD_801014604649_000 | computation | Reference Data From Materials Project: {formula:CePO4,spaceGroup:P6_422,id:mp-557624} |
| RD_801519297222_000 | computation | Reference Data From Materials Project: {formula:KCeF4,spaceGroup:Pmnb,id:mp-504644} |
| RD_801526899295_000 | computation | Reference Data From Materials Project: {formula:CeBO3,spaceGroup:P2_1/m,id:mp-20178} |
| RD_803847929908_000 | computation | Reference Data From Materials Project: {formula:LiCeTl2,spaceGroup:Fm-3m,id:mp-867295} |
| RD_803973949597_000 | computation | Reference Data From Materials Project: {formula:Ce3(Al2Si3)2,spaceGroup:P-3m1,id:mp-29113} |
| RD_804999587874_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_806452896509_000 | computation | Reference Data From Materials Project: {formula:CeRh2,spaceGroup:Fd-3m,id:mp-951} |
| RD_806583586665_000 | computation | Reference Data From Materials Project: {formula:CeInPd2,spaceGroup:P6_3/mmc,id:mp-20231} |
| RD_808735468737_000 | computation | Reference Data From Materials Project: {formula:CeSnPd,spaceGroup:P-62m,id:mp-19766} |
| RD_808883186488_000 | computation | Reference Data From Materials Project: {formula:CeSn2Rh,spaceGroup:Cmcm,id:mp-510359} |
| RD_809027031287_000 | computation | Reference Data From Materials Project: {formula:Ce3Al,spaceGroup:P6_3/mmc,id:mp-21393} |
| RD_811236546365_000 | computation | Reference Data From Materials Project: {formula:CeZn3Cu2,spaceGroup:P6/mmm,id:mp-7247} |
| RD_811285647737_000 | computation | Reference Data From Materials Project: {formula:CeS,spaceGroup:P4/nmm,id:mp-20560} |
| RD_811927450328_000 | computation | Reference Data From Materials Project: {formula:Ce(CoGe)2,spaceGroup:I4/mmm,id:mp-20933} |
| RD_813200309519_000 | computation | Reference Data From Materials Project: {formula:CeCrGe3,spaceGroup:P6_3/mmc,id:mp-20650} |
| RD_814017317664_000 | computation | Reference Data From Materials Project: {formula:Li6CaCeO6,spaceGroup:P-31c,id:mp-556301} |
| RD_814295992508_000 | computation | Reference Data From Materials Project: {formula:CePd5,spaceGroup:P6/mmm,id:mp-22217} |
| RD_815803592113_000 | computation | Reference Data From Materials Project: {formula:CeZnPO,spaceGroup:R-3m,id:mp-13207} |
| RD_816387499122_000 | computation | Reference Data From Materials Project: {formula:CeGeAu,spaceGroup:Pmnb,id:mp-20562} |
| RD_816842980547_000 | computation | Reference Data From Materials Project: {formula:Ce4Si2Se3O7,spaceGroup:I4_1/amd,id:mp-541460} |
| RD_817311600980_000 | computation | Reference Data From Materials Project: {formula:Ce3AlC,spaceGroup:Pm-3m,id:mp-10036} |
| RD_817498113906_000 | computation | Reference Data From Materials Project: {formula:CeAl,spaceGroup:Pm-3m,id:mp-10879} |
| RD_817706889915_000 | computation | Reference Data From Materials Project: {formula:Ce(GePd)2,spaceGroup:I4/mmm,id:mp-13467} |
| RD_818158736377_000 | computation | Reference Data From Materials Project: {formula:K5Ce2H2S6O25,spaceGroup:Cc,id:mp-710070} |
| RD_819853419583_000 | computation | Reference Data From Materials Project: {formula:Na3Ce(PO4)2,spaceGroup:Pbc2_1,id:mp-556334} |
| RD_820922080783_000 | computation | Reference Data From Materials Project: {formula:K3Ce(PS4)2,spaceGroup:P2_1/c,id:mp-21557} |
| RD_823202019751_000 | computation | Reference Data From Materials Project: {formula:CeB2C,spaceGroup:R-3m,id:mp-8667} |
| RD_823551780965_000 | computation | Reference Data From Materials Project: {formula:Li2CeN2,spaceGroup:P-3m1,id:mp-8181} |
| RD_824445916981_000 | computation | Reference Data From Materials Project: {formula:CaCeAg2,spaceGroup:Fm-3m,id:mp-865460} |
| RD_825736512512_000 | computation | Reference Data From Materials Project: {formula:CeNiO3,spaceGroup:Pm-3m,id:mp-866645} |
| RD_827104372553_000 | computation | Reference Data From Materials Project: {formula:Ce8C8Cl5,spaceGroup:P2_1/c,id:mp-583042} |
| RD_827891957276_000 | computation | Reference Data From Materials Project: {formula:CeCl3,spaceGroup:P6_3/m,id:mp-582011} |
| RD_828399535989_000 | computation | Reference Data From Materials Project: {formula:Ce(MnAl2)4,spaceGroup:I4/mmm,id:mp-16487} |
| RD_828847315504_000 | computation | Reference Data From Materials Project: {formula:CeO,spaceGroup:Fm-3m,id:mp-10688} |
| RD_829486852948_000 | computation | Reference Data From Materials Project: {formula:CeB2Rh3,spaceGroup:P6/mmm,id:mp-5757} |
| RD_829871661642_000 | computation | Reference Data From Materials Project: {formula:CeTl5Fe2(NO2)12,spaceGroup:Pn3,id:mp-579665} |
| RD_830655271577_000 | computation | Reference Data From Materials Project: {formula:Ce3Ga,spaceGroup:Pm-3m,id:mp-19920} |
| RD_832395052834_000 | computation | Reference Data From Materials Project: {formula:Ce16O27,spaceGroup:P1,id:mp-684594} |
| RD_833181006826_000 | computation | Reference Data From Materials Project: {formula:Ce10Si10BrN17O9,spaceGroup:P1,id:mp-694972} |
| RD_833545386308_000 | computation | Reference Data From Materials Project: {formula:Ce(Al10Co)2,spaceGroup:Fd-3m,id:mp-16966} |
| RD_834371157822_000 | computation | Reference Data From Materials Project: {formula:Ce2Mo4O15,spaceGroup:P-1,id:mp-648971} |
| RD_834731535996_000 | computation | Reference Data From Materials Project: {formula:Ce(In2Au)2,spaceGroup:Pmcn,id:mp-21537} |
| RD_835326696699_000 | computation | Reference Data From Materials Project: {formula:Ce3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-16083} |
| RD_835949019488_000 | computation | Reference Data From Materials Project: {formula:CeTaO4,spaceGroup:P2_1/c,id:mp-22074} |
| RD_836360806702_000 | computation | Reference Data From Materials Project: {formula:CeMnSi2,spaceGroup:Cmcm,id:mp-5901} |
| RD_839141579066_000 | computation | Reference Data From Materials Project: {formula:Ce8SbPd24,spaceGroup:Pm-3m,id:mp-29101} |
| RD_839795226242_000 | computation | Reference Data From Materials Project: {formula:Ce(BRu)2,spaceGroup:Fddd,id:mp-15588} |
| RD_840031032826_000 | computation | Reference Data From Materials Project: {formula:CeSn3,spaceGroup:Pm-3m,id:mp-1911} |
| RD_841047649923_000 | computation | Reference Data From Materials Project: {formula:CeMo12(NO27)2,spaceGroup:R-3,id:mp-867150} |
| RD_844553470558_000 | computation | Reference Data From Materials Project: {formula:CeMgCu2,spaceGroup:P6_3/mmc,id:mp-22237} |
| RD_844746808094_000 | computation | Reference Data From Materials Project: {formula:Na2Ce2TiSi(CO6)2,spaceGroup:P-1,id:mp-558297} |
| RD_845267793289_000 | computation | Reference Data From Materials Project: {formula:CeNiSnH2,spaceGroup:P6_3/mmc,id:mp-542856} |
| RD_845383670523_000 | computation | Reference Data From Materials Project: {formula:CeAgAu2,spaceGroup:Fm-3m,id:mp-865862} |
| RD_845777007386_000 | computation | Reference Data From Materials Project: {formula:Ce2Zn2Ni5,spaceGroup:R-3m,id:mp-17587} |
| RD_847060472230_000 | computation | Reference Data From Materials Project: {formula:CeSi3N5,spaceGroup:P2_12_12_1,id:mp-29466} |
| RD_847205756982_000 | computation | Reference Data From Materials Project: {formula:Ce5Rh4,spaceGroup:Pnam,id:mp-680602} |
| RD_847623565320_000 | computation | Reference Data From Materials Project: {formula:Ce3Al,spaceGroup:Pm-3m,id:mp-2413} |
| RD_848268925992_000 | computation | Reference Data From Materials Project: {formula:CeAu3,spaceGroup:P6_3/mmc,id:mp-865572} |
| RD_850209857149_000 | computation | Reference Data From Materials Project: {formula:RbCeH2S2O9,spaceGroup:P2_1/c,id:mp-504990} |
| RD_852070999353_000 | computation | Reference Data From Materials Project: {formula:CeGe3Rh,spaceGroup:I4mm,id:mp-13121} |
| RD_853197033969_000 | computation | Reference Data From Materials Project: {formula:CeGeIr,spaceGroup:Pmnb,id:mp-20022} |
| RD_853512080121_000 | computation | Reference Data From Materials Project: {formula:Ce(ClO4)4,spaceGroup:Cc,id:mp-768918} |
| RD_853830747950_000 | computation | Reference Data From Materials Project: {formula:Ce2Fe14B,spaceGroup:P4_2/mnm,id:mp-4459} |
| RD_854860137936_000 | computation | Reference Data From Materials Project: {formula:CeSbO3,spaceGroup:Fd-3m,id:mp-38685} |
| RD_857131240722_000 | computation | Reference Data From Materials Project: {formula:CeIn2Pd,spaceGroup:Cmcm,id:mp-21460} |
| RD_859627388368_000 | computation | Reference Data From Materials Project: {formula:Li2Ce2Ge3,spaceGroup:Ccmm,id:mp-3770} |
| RD_859770488637_000 | computation | Reference Data From Materials Project: {formula:Ce4Bi3,spaceGroup:I-43d,id:mp-23252} |
| RD_860159036432_000 | computation | Reference Data From Materials Project: {formula:CeP3H8O7,spaceGroup:P-1,id:mp-505610} |
| RD_860308023159_000 | computation | Reference Data From Materials Project: {formula:YbCeHg2,spaceGroup:Fm-3m,id:mp-865755} |
| RD_861366152686_000 | computation | Reference Data From Materials Project: {formula:CeInCu,spaceGroup:P-62m,id:mp-20665} |
| RD_861889211326_000 | computation | Reference Data From Materials Project: {formula:CeAsPd,spaceGroup:P6_3/mmc,id:mp-8948} |
| RD_863606842339_000 | computation | Reference Data From Materials Project: {formula:Ce(Al4Fe)2,spaceGroup:Pmcb,id:mp-607077} |
| RD_864012523817_000 | computation | Reference Data From Materials Project: {formula:K5CeFe2(NO2)12,spaceGroup:Pn3,id:mp-687255} |
| RD_864098461596_000 | computation | Reference Data From Materials Project: {formula:Ce6Y2O15,spaceGroup:Cc,id:mp-758094} |
| RD_864428412631_000 | computation | Reference Data From Materials Project: {formula:CeFeGe3,spaceGroup:I4mm,id:mp-20722} |
| RD_867010068338_000 | computation | Reference Data From Materials Project: {formula:Ce3AgGeS7,spaceGroup:P6_3,id:mp-866604} |
| RD_867402719653_000 | computation | Reference Data From Materials Project: {formula:Ce2H16S3O20,spaceGroup:C2/c,id:mp-734299} |
| RD_868085308395_000 | computation | Reference Data From Materials Project: {formula:Ce3MnAlS7,spaceGroup:P6_3,id:mp-866500} |
| RD_869290234065_000 | computation | Reference Data From Materials Project: {formula:CeZn3Cu2,spaceGroup:P6/mmm,id:mp-7247} |
| RD_869504408758_000 | computation | Reference Data From Materials Project: {formula:CeCu2,spaceGroup:Imcm,id:mp-2801} |
| RD_871336517239_000 | computation | Reference Data From Materials Project: {formula:CeScO3,spaceGroup:Pnma,id:mp-777413} |
| RD_874017508527_000 | computation | Reference Data From Materials Project: {formula:CeZr7O16,spaceGroup:P1,id:mp-752503} |
| RD_874584956322_000 | computation | Reference Data From Materials Project: {formula:CeMgPd,spaceGroup:P-62m,id:mp-19731} |
| RD_876079362742_000 | computation | Reference Data From Materials Project: {formula:Ce5Si3,spaceGroup:I4/mcm,id:mp-570175} |
| RD_876316775066_000 | computation | CeO in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_877298242425_000 | computation | Reference Data From Materials Project: {formula:CeIn7Pt2,spaceGroup:I4/mmm,id:mp-605867} |
| RD_877343965682_000 | computation | Reference Data From Materials Project: {formula:Ce3Co11B4,spaceGroup:P6/mmm,id:mp-13765} |
| RD_878472442657_000 | computation | Reference Data From Materials Project: {formula:CeCd11,spaceGroup:Pm-3m,id:mp-640089} |
| RD_880609556392_000 | computation | Reference Data From Materials Project: {formula:Sr(CeSe2)2,spaceGroup:I-42d,id:mp-36819} |
| RD_881250622611_000 | computation | Reference Data From Materials Project: {formula:Ba3CeRu2O9,spaceGroup:P6_3/mmc,id:mp-6301} |
| RD_883027133779_000 | computation | Reference Data From Materials Project: {formula:Ce3CuGeSe7,spaceGroup:P6_3,id:mp-570564} |
| RD_884171180033_000 | computation | Reference Data From Materials Project: {formula:Cs3CeF6,spaceGroup:Fm-3m,id:mp-632715} |
| RD_887907263980_000 | computation | Ce in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_888509484268_000 | computation | Reference Data From Materials Project: {formula:CeB2Ir3,spaceGroup:P6/mmm,id:mp-11593} |
| RD_888796026383_000 | computation | Reference Data From Materials Project: {formula:BaCeO3,spaceGroup:R-3c,id:mp-4900} |
| RD_888908126119_000 | computation | Reference Data From Materials Project: {formula:Ce(Ni2Sn)2,spaceGroup:I4/mcm,id:mp-510125} |
| RD_889001525932_000 | computation | Reference Data From Materials Project: {formula:CeS,spaceGroup:Fm-3m,id:mp-1096} |
| RD_890262128456_000 | computation | Reference Data From Materials Project: {formula:NaCe(PO3)4,spaceGroup:P2_1/c,id:mp-561049} |
| RD_890337982724_000 | computation | Reference Data From Materials Project: {formula:Ce2Nd2O7,spaceGroup:Pmmb,id:mp-686001} |
| RD_890725050112_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_891043253648_000 | computation | Reference Data From Materials Project: {formula:CePO4,spaceGroup:P6_222,id:mp-8382} |
| RD_891787706276_000 | computation | Reference Data From Materials Project: {formula:CeTl5Co2(NO2)12,spaceGroup:Pn3,id:mp-863765} |
| RD_892123693362_000 | computation | Reference Data From Materials Project: {formula:CeAgAs2,spaceGroup:P4/nmm,id:mp-20384} |
| RD_892534813786_000 | computation | Reference Data From Materials Project: {formula:Ce3Se4,spaceGroup:I-43d,id:mp-567370} |
| RD_893263467371_000 | computation | Reference Data From Materials Project: {formula:Ce(SiPt)2,spaceGroup:I4/mmm,id:mp-5734} |
| RD_893543516261_000 | computation | Reference Data From Materials Project: {formula:Rb5CeCu2(NO2)12,spaceGroup:Pn3,id:mp-559047} |
| RD_893806319644_000 | computation | Reference Data From Materials Project: {formula:CeCoGeH,spaceGroup:P4/nmm,id:mp-644499} |
| RD_894776291641_000 | computation | Reference Data From Materials Project: {formula:CeRh3,spaceGroup:Pm-3m,id:mp-1518} |
| RD_896077405548_000 | computation | Reference Data From Materials Project: {formula:Ce3AlCrS7,spaceGroup:P6_3,id:mp-866516} |
| RD_896087111663_000 | computation | CeO in AFLOW crystal prototype A2B3_cI80_206_ad_e (N2Zn3, ICSD #84918). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_896721324523_000 | computation | Reference Data From Materials Project: {formula:CeAlO3,spaceGroup:Pbnm,id:mp-776167} |
| RD_896734949503_000 | computation | Reference Data From Materials Project: {formula:Ce3Si2S8Br,spaceGroup:C2/c,id:mp-669378} |
| RD_899929740631_000 | computation | Reference Data From Materials Project: {formula:Ce2Al2Co15,spaceGroup:R-3m,id:mp-16484} |
| RD_900956676842_000 | computation | Reference Data From Materials Project: {formula:CeMgPt,spaceGroup:P-62m,id:mp-19934} |
| RD_901041026497_000 | experiment | Experimental data collected from reference material at the University of Minnesota. Pressure assumed to be standard; |
| RD_901107811209_000 | computation | Reference Data From Materials Project: {formula:Ce3Zn22,spaceGroup:I4_1/amd,id:mp-698212} |
| RD_901366449217_000 | computation | Reference Data From Materials Project: {formula:Ce2Br3N,spaceGroup:I4_1/a,id:mp-570537} |
| RD_901844668156_000 | computation | Reference Data From Materials Project: {formula:BaCeO3,spaceGroup:Pm-3m,id:mp-5663} |
| RD_901896650282_000 | computation | Reference Data From Materials Project: {formula:CeSnPd,spaceGroup:P-62m,id:mp-19766} |
| RD_903286496752_000 | computation | Reference Data From Materials Project: {formula:CeVO3,spaceGroup:Pbnm,id:mp-18769} |
| RD_903359042879_000 | computation | Reference Data From Materials Project: {formula:Ce(Mo3Se4)2,spaceGroup:R-3,id:mp-675769} |
| RD_903538159882_000 | computation | Reference Data From Materials Project: {formula:Ce3AsS3,spaceGroup:P2_13,id:mp-675514} |
| RD_903643207113_000 | computation | Reference Data From Materials Project: {formula:Ce14Si11Ni6,spaceGroup:C2/m,id:mp-624355} |
| RD_903673445126_000 | computation | Reference Data From Materials Project: {formula:Ce3MoO7,spaceGroup:P2_12_12_1,id:mp-639904} |
| RD_905718952984_000 | computation | Reference Data From Materials Project: {formula:CeRh3C,spaceGroup:Pm-3m,id:mp-22519} |
| RD_905903243729_000 | computation | Reference Data From Materials Project: {formula:Ce2CdPd2,spaceGroup:P4/mbm,id:mp-11965} |
| RD_906243200671_000 | computation | CeO in AFLOW crystal prototype A2B3_mC10_12_i_ai. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_906813224411_000 | computation | Reference Data From Materials Project: {formula:CeSnAu,spaceGroup:P6_3mc,id:mp-11081} |
| RD_908067606565_000 | computation | Reference Data From Materials Project: {formula:Ce5C2Cl9,spaceGroup:P-1,id:mp-657985} |
| RD_908743979263_000 | computation | Reference Data From Materials Project: {formula:Ce3(Si3Pd10)2,spaceGroup:Fm-3m,id:mp-662609} |
| RD_909712244788_000 | computation | Reference Data From Materials Project: {formula:Ce3Te4,spaceGroup:I-43d,id:mp-22422} |
| RD_909745704273_000 | computation | Reference Data From Materials Project: {formula:Rb2CeCu3Te5,spaceGroup:C2/m,id:mp-581778} |
| RD_911017245112_000 | computation | Reference Data From Materials Project: {formula:CeMnSi,spaceGroup:P4/nmm,id:mp-505331} |
| RD_912145009935_000 | computation | Reference Data From Materials Project: {formula:Ce2Nd2O7,spaceGroup:P1,id:mp-38284} |
| RD_912610121281_000 | computation | Reference Data From Materials Project: {formula:Ce(C2N3)3,spaceGroup:Ccmm,id:mp-672205} |
| RD_912683807746_000 | computation | Reference Data From Materials Project: {formula:BaCeN2,spaceGroup:P6_3/mmc,id:mp-4887} |
| RD_913049570100_000 | computation | Reference Data From Materials Project: {formula:CePaO4,spaceGroup:I4_1/amd,id:mp-686050} |
| RD_913286170201_000 | computation | Reference Data From Materials Project: {formula:CeFe5,spaceGroup:P6/mmm,id:mp-11317} |
| RD_913682366753_000 | computation | Reference Data From Materials Project: {formula:Ce3Si11Pt23,spaceGroup:Fm-3m,id:mp-568452} |
| RD_914239429451_000 | computation | Reference Data From Materials Project: {formula:Ce5CuSe8,spaceGroup:I-4,id:mp-675739} |
| RD_914398511280_000 | computation | Reference Data From Materials Project: {formula:CeCuSn,spaceGroup:P6_3mc,id:mp-22683} |
| RD_915104688607_000 | computation | Reference Data From Materials Project: {formula:Ce4(LuS2)11,spaceGroup:C2/m,id:mp-680039} |
| RD_915772982588_000 | computation | Reference Data From Materials Project: {formula:Ce5Mg41,spaceGroup:I4/m,id:mp-680586} |
| RD_917406158362_000 | computation | Reference Data From Materials Project: {formula:Ce3SnC,spaceGroup:Pm-3m,id:mp-20159} |
| RD_917958459226_000 | computation | Reference Data From Materials Project: {formula:CeF3,spaceGroup:P6_322,id:mp-22070} |
| RD_918149215659_000 | computation | Reference Data From Materials Project: {formula:Ce14Y18O55,spaceGroup:P1,id:mp-531963} |
| RD_918164401174_000 | computation | Reference Data From Materials Project: {formula:CeInPd,spaceGroup:P-62m,id:mp-21387} |
| RD_918171766571_000 | computation | Reference Data From Materials Project: {formula:Ce2Si7Rh15,spaceGroup:Pm-3m,id:mp-628614} |
| RD_918685621066_000 | computation | Reference Data From Materials Project: {formula:Ce4(GeS4)3,spaceGroup:R3c,id:mp-606703} |
| RD_919001039097_000 | computation | Reference Data From Materials Project: {formula:CeTl5Cu2(NO2)12,spaceGroup:Pn3,id:mp-555459} |
| RD_919686718171_000 | computation | Reference Data From Materials Project: {formula:Ce2Dy2O7,spaceGroup:Pmmb,id:mp-673848} |
| RD_919852015054_000 | computation | Reference Data From Materials Project: {formula:Ce3S4,spaceGroup:I-43d,id:mp-1382} |
| RD_921738372898_000 | computation | Reference Data From Materials Project: {formula:Ce2O3,spaceGroup:Ia3,id:mp-542313} |
| RD_921925950994_000 | computation | Reference Data From Materials Project: {formula:CeNiGe,spaceGroup:Pmcn,id:mp-20616} |
| RD_923418485439_000 | computation | Reference Data From Materials Project: {formula:Cs2CeO3,spaceGroup:Cmc2_1,id:mp-768223} |
| RD_924187942326_000 | computation | Reference Data From Materials Project: {formula:K5CeNi2(NO2)12,spaceGroup:Pn3,id:mp-704967} |
| RD_925407536388_000 | computation | Reference Data From Materials Project: {formula:Ce2TiO5,spaceGroup:Pnam,id:mp-768309} |
| RD_925624147396_000 | computation | Reference Data From Materials Project: {formula:Ce3(AlI)2,spaceGroup:C2/m,id:mp-636773} |
| RD_926450435350_000 | computation | Reference Data From Materials Project: {formula:CeCO3F,spaceGroup:P-62c,id:mp-20288} |
| RD_927478959199_000 | computation | Reference Data From Materials Project: {formula:CeAsS,spaceGroup:P4/nmm,id:mp-5908} |
| RD_928085059006_000 | computation | Reference Data From Materials Project: {formula:Ce(WO4)2,spaceGroup:P2_13,id:mp-770752} |
| RD_931642360944_000 | computation | Reference Data From Materials Project: {formula:Ce(IO3)2,spaceGroup:P2_1/c,id:mp-778759} |
| RD_932166563888_000 | computation | Reference Data From Materials Project: {formula:CePRuO,spaceGroup:P4/nmm,id:mp-21372} |
| RD_932268631510_000 | computation | Reference Data From Materials Project: {formula:Ce2Co5B2,spaceGroup:P6_3/mmc,id:mp-574273} |
| RD_934039938775_000 | computation | Reference Data From Materials Project: {formula:SrCe2O4,spaceGroup:Pnam,id:mp-770812} |
| RD_934581078622_000 | computation | Reference Data From Materials Project: {formula:Na3CeF7,spaceGroup:Cm,id:mp-38102} |
| RD_936038832002_000 | computation | Reference Data From Materials Project: {formula:CeH2,spaceGroup:Fm-3m,id:mp-505569} |
| RD_936493538831_000 | computation | Reference Data From Materials Project: {formula:Ce3SiCuS7,spaceGroup:P6_3,id:mp-558375} |
| RD_936496896021_000 | computation | Reference Data From Materials Project: {formula:Ce3GaBr3,spaceGroup:Pm-3m,id:mp-569898} |
| RD_937943603524_000 | computation | Reference Data From Materials Project: {formula:Ce5(SiN3)3,spaceGroup:Ccme,id:mp-571312} |
| RD_938847164528_000 | computation | Reference Data From Materials Project: {formula:CeNdI4,spaceGroup:C2/c,id:mp-570728} |
| RD_939661483779_000 | computation | Reference Data From Materials Project: {formula:Ce2C3,spaceGroup:I-43d,id:mp-20181} |
| RD_940302820735_000 | computation | Ce in AFLOW crystal prototype A_oC4_63_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_940793929673_000 | computation | Reference Data From Materials Project: {formula:Ce2Ga12Cu,spaceGroup:P4/nbm,id:mp-5981} |
| RD_940799976830_000 | computation | Reference Data From Materials Project: {formula:CeSi2Ru3,spaceGroup:P6/mmm,id:mp-30043} |
| RD_940831895397_000 | computation | Reference Data From Materials Project: {formula:CeAlO3,spaceGroup:Pm-3m,id:mp-5323} |
| RD_942772607288_000 | computation | Reference Data From Materials Project: {formula:CeCuSb2,spaceGroup:P4/nmm,id:mp-672238} |
| RD_943026085274_000 | computation | Reference Data From Materials Project: {formula:Ce(AsPd)2,spaceGroup:I4/mmm,id:mp-567375} |
| RD_943257187844_000 | computation | Reference Data From Materials Project: {formula:CePb3,spaceGroup:Pm-3m,id:mp-20225} |
| RD_943601867665_000 | computation | Reference Data From Materials Project: {formula:Ce2CuGe6,spaceGroup:Cm2m,id:mp-5684} |
| RD_943858796826_000 | computation | Reference Data From Materials Project: {formula:Ce4Si2S3O7,spaceGroup:I4_1/amd,id:mp-561726} |
| RD_945587379171_000 | computation | Reference Data From Materials Project: {formula:Ce3S3N,spaceGroup:Pmnb,id:mp-543033} |
| RD_946260512287_000 | computation | Reference Data From Materials Project: {formula:CeSiHRu,spaceGroup:P4/nmm,id:mp-604496} |
| RD_947591953513_000 | computation | Reference Data From Materials Project: {formula:CePd3,spaceGroup:Pm-3m,id:mp-2092} |
| RD_948219067800_000 | computation | Reference Data From Materials Project: {formula:CeClO,spaceGroup:P4/nmm,id:mp-22952} |
| RD_949460205979_000 | computation | Reference Data From Materials Project: {formula:CeSbRh,spaceGroup:Pmnb,id:mp-22249} |
| RD_950256720660_000 | computation | Reference Data From Materials Project: {formula:CaCeMg2,spaceGroup:Fm-3m,id:mp-862907} |
| RD_951217877090_000 | computation | Reference Data From Materials Project: {formula:Ce4B2N5,spaceGroup:C2/m,id:mp-31017} |
| RD_951424566630_000 | computation | Reference Data From Materials Project: {formula:Ce3SiAgSe7,spaceGroup:P6_3,id:mp-18071} |
| RD_952111379478_000 | computation | Reference Data From Materials Project: {formula:CeRu2,spaceGroup:Fd-3m,id:mp-607} |
| RD_952289435367_000 | computation | Reference Data From Materials Project: {formula:Ba2Ce3Si3O12F,spaceGroup:P6_3,id:mp-42307} |
| RD_952792403418_000 | computation | Reference Data From Materials Project: {formula:CeBN2,spaceGroup:P-1,id:mp-29595} |
| RD_955119053577_000 | computation | Reference Data From Materials Project: {formula:NaCe(PSe3)2,spaceGroup:P2_1/c,id:mp-569618} |
| RD_955148571631_000 | computation | Reference Data From Materials Project: {formula:CeCuGe,spaceGroup:P6_3/mmc,id:mp-20766} |
| RD_955238629256_000 | computation | Reference Data From Materials Project: {formula:Ce3Co4Sn13,spaceGroup:Pm-3n,id:mp-21915} |
| RD_956459142564_000 | computation | Reference Data From Materials Project: {formula:CeCo2,spaceGroup:Fd-3m,id:mp-1112} |
| RD_956555594071_000 | computation | Reference Data From Materials Project: {formula:CeIn4Pd,spaceGroup:Ccmm,id:mp-642458} |
| RD_958246379461_000 | computation | Reference Data From Materials Project: {formula:Ce2Si2O7,spaceGroup:P2_1/c,id:mp-662527} |
| RD_958911125903_000 | computation | Reference Data From Materials Project: {formula:CeMgGa,spaceGroup:P-62m,id:mp-21375} |
| RD_960033229364_000 | computation | Reference Data From Materials Project: {formula:Ce2SO2,spaceGroup:P-3m1,id:mp-3972} |
| RD_960891734279_000 | computation | Reference Data From Materials Project: {formula:K5NaCe2(SO4)6,spaceGroup:C2/m,id:mp-554603} |
| RD_961174112814_000 | computation | Reference Data From Materials Project: {formula:CeCd,spaceGroup:Pm-3m,id:mp-183} |
| RD_961317516254_000 | computation | Reference Data From Materials Project: {formula:Ce2O3,spaceGroup:P-3m1,id:mp-2721} |
| RD_963572071558_000 | computation | Reference Data From Materials Project: {formula:Ce(SiAg)2,spaceGroup:I4/mmm,id:mp-5605} |
| RD_965609599936_000 | computation | Reference Data From Materials Project: {formula:Ba2CePtO6,spaceGroup:Fm-3m,id:mp-21879} |
| RD_966349180769_000 | computation | Reference Data From Materials Project: {formula:Ce(IO3)4,spaceGroup:P4_2/n,id:mp-23493} |
| RD_967035214704_000 | computation | Reference Data From Materials Project: {formula:CeBeSiHO5,spaceGroup:P2_1/c,id:mp-686671} |
| RD_967181771512_000 | computation | Reference Data From Materials Project: {formula:Ce(SiPt)2,spaceGroup:P4/nmm,id:mp-22438} |
| RD_967342782572_000 | computation | Reference Data From Materials Project: {formula:Ce(P3Ru)4,spaceGroup:Im3,id:mp-10069} |
| RD_968868501936_000 | computation | Reference Data From Materials Project: {formula:Rb2CeO3,spaceGroup:C2/m,id:mp-676666} |
| RD_968992701138_000 | computation | Reference Data From Materials Project: {formula:Ce2Ni12P7,spaceGroup:P-6,id:mp-569521} |
| RD_969163862765_000 | computation | Reference Data From Materials Project: {formula:CeMg2Ni9,spaceGroup:R-3m,id:mp-13505} |
| RD_969805977108_000 | computation | Reference Data From Materials Project: {formula:Ce(BC)2,spaceGroup:P4/mbm,id:mp-20908} |
| RD_970530556963_000 | computation | Reference Data From Materials Project: {formula:Ce2InGe2,spaceGroup:P4/mbm,id:mp-20959} |
| RD_971820315318_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_972402146455_000 | computation | Reference Data From Materials Project: {formula:Ce3CuSnSe7,spaceGroup:P6_3,id:mp-542806} |
| RD_972498468323_000 | computation | Reference Data From Materials Project: {formula:Ce(SiIr)2,spaceGroup:I4/mmm,id:mp-4433} |
| RD_972684157304_000 | computation | Reference Data From Materials Project: {formula:CeTiGe,spaceGroup:P4/nmm,id:mp-19860} |
| RD_973816277775_000 | computation | Reference Data From Materials Project: {formula:Ce2NiB10,spaceGroup:Pmcb,id:mp-21169} |
| RD_975121301082_000 | computation | Reference Data From Materials Project: {formula:CeBPt2,spaceGroup:P6_222,id:mp-10468} |
| RD_975636494220_000 | computation | Reference Data From Materials Project: {formula:CeSiRh2,spaceGroup:Ccmm,id:mp-31078} |
| RD_977103180116_000 | computation | Reference Data From Materials Project: {formula:CeCu5Au,spaceGroup:Pmnb,id:mp-12562} |
| RD_977377266153_000 | computation | Reference Data From Materials Project: {formula:La3Ce4O12,spaceGroup:C2/m,id:mp-756286} |
| RD_977780257072_000 | computation | Reference Data From Materials Project: {formula:CeH2,spaceGroup:Fm-3m,id:mp-505569} |
| RD_977821880448_000 | computation | CeO in AFLOW crystal prototype AB2_cF12_225_a_c (CaF2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_977853770864_000 | computation | Reference Data From Materials Project: {formula:Ce3Ge5Pd14,spaceGroup:Pnma,id:mp-680221} |
| RD_978316451728_000 | computation | Reference Data From Materials Project: {formula:NaCePCO7,spaceGroup:P2_1,id:mp-767538} |
| RD_978420417297_000 | computation | Reference Data From Materials Project: {formula:CeS2,spaceGroup:P2_1/c,id:mp-13567} |
| RD_979272099572_000 | computation | Reference Data From Materials Project: {formula:Ce(MnSi)2,spaceGroup:I4/mmm,id:mp-2965} |
| RD_980189099491_000 | computation | Reference Data From Materials Project: {formula:CeMn2(GeO3)4,spaceGroup:P4/nbm,id:mp-25767} |
| RD_980448343349_000 | computation | Reference Data From Materials Project: {formula:Ce3AlCrS7,spaceGroup:P6_3,id:mp-866516} |
| RD_981095600173_000 | computation | Reference Data From Materials Project: {formula:Ce3Dy2O9,spaceGroup:I-4m2,id:mp-675192} |
| RD_982057828699_000 | computation | Reference Data From Materials Project: {formula:CeAlO3,spaceGroup:R-3c,id:mp-3408} |
| RD_982615742393_000 | computation | Reference Data From Materials Project: {formula:RbCeSe2,spaceGroup:R-3m,id:mp-10777} |
| RD_983248725101_000 | computation | Reference Data From Materials Project: {formula:CeCo4B,spaceGroup:P6/mmm,id:mp-21878} |
| RD_983320898326_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_984421495487_000 | computation | Reference Data From Materials Project: {formula:LiCeTl2,spaceGroup:Fm-3m,id:mp-867295} |
| RD_986400030802_000 | computation | Reference Data From Materials Project: {formula:CeSnIr,spaceGroup:P-62m,id:mp-20835} |
| RD_986560912412_000 | computation | Reference Data From Materials Project: {formula:Ce3Ta(ClO2)3,spaceGroup:P6_3/m,id:mp-558609} |
| RD_987358601461_000 | computation | Reference Data From Materials Project: {formula:Ce(SiNi)2,spaceGroup:I4/mmm,id:mp-4537} |
| RD_988361062958_000 | computation | Reference Data From Materials Project: {formula:CeCoC2,spaceGroup:Cc,id:mp-20753} |
| RD_988666257281_000 | computation | Reference Data From Materials Project: {formula:Ce3Th4O14,spaceGroup:C2/m,id:mp-766570} |
| RD_989706814018_000 | computation | Reference Data From Materials Project: {formula:CeHfO4,spaceGroup:I4_1/a,id:mp-756276} |
| RD_989892450620_000 | computation | Reference Data From Materials Project: {formula:YbCe9O20,spaceGroup:P-1,id:mp-674484} |
| RD_991003076685_000 | computation | Reference Data From Materials Project: {formula:CeF3,spaceGroup:P-3c1,id:mp-510560} |
| RD_991573091307_000 | computation | Reference Data From Materials Project: {formula:Na2CeO3,spaceGroup:C2/c,id:mp-673702} |
| RD_993236712183_000 | computation | Reference Data From Materials Project: {formula:Ce3SnC,spaceGroup:Pm-3m,id:mp-20159} |
| RD_993610735496_000 | computation | Reference Data From Materials Project: {formula:CeSiRu,spaceGroup:P4/nmm,id:mp-8653} |
| RD_993756813775_000 | computation | Reference Data From Materials Project: {formula:CeZr9O20,spaceGroup:P1,id:mp-766370} |
| RD_993828687288_000 | computation | Reference Data From Materials Project: {formula:CeTl5Cu2(NO2)12,spaceGroup:Pn3,id:mp-555459} |
| RD_995223201132_000 | computation | Reference Data From Materials Project: {formula:Ce(FeP)2,spaceGroup:I4/mmm,id:mp-6957} |
| RD_995454837809_000 | computation | Reference Data From Materials Project: {formula:CeAg,spaceGroup:Pm-3m,id:mp-2756} |
| RD_996095239691_000 | computation | CeO in AFLOW crystal prototype AB2_hP6_164_d_abd. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_996400157461_000 | computation | Reference Data From Materials Project: {formula:CeSnRu,spaceGroup:C2/m,id:mp-610687} |
| RD_996908891652_000 | computation | Reference Data From Materials Project: {formula:CeSnAu2,spaceGroup:Fm-3m,id:mp-867310} |
| RD_998846884874_000 | computation | Reference Data From Materials Project: {formula:CeZn11,spaceGroup:I4_1/amd,id:mp-640370} |
| RD_999538972183_000 | computation | Reference Data From Materials Project: {formula:CePIr,spaceGroup:I4_1md,id:mp-12920} |
| RD_999937712847_000 | computation | Reference Data From Materials Project: {formula:Rb5CeCo2(NO2)12,spaceGroup:Pn3,id:mp-705119} |
| Reference Data | Data Method | Description |
|---|---|---|
| RD_001141435929_000 | computation | Reference Data From Materials Project: {formula:NpCl3,spaceGroup:P6_3/m,id:mp-23278} |
| RD_001547552080_000 | computation | Reference Data From Materials Project: {formula:RbErSeCl2O3,spaceGroup:P2_1/c,id:mp-557019} |
| RD_001556449441_000 | computation | Reference Data From Materials Project: {formula:SbICl8,spaceGroup:P4_1,id:mp-569512} |
| RD_001978645138_000 | computation | Reference Data From Materials Project: {formula:H12C4S3(N3Cl2)2,spaceGroup:P1,id:mp-677337} |
| RD_002355740123_000 | computation | Reference Data From Materials Project: {formula:ZnH8C2N4(ClO)2,spaceGroup:P-1,id:mp-24664} |
| RD_002454243195_000 | computation | Reference Data From Materials Project: {formula:H8C2NCl,spaceGroup:P2_1/m,id:mp-570388} |
| RD_002490484495_000 | computation | Reference Data From Materials Project: {formula:H4NClO5,spaceGroup:P2_1cn,id:mp-720615} |
| RD_002677029969_000 | computation | Reference Data From Materials Project: {formula:CsTi2Cl7,spaceGroup:P2_1/m,id:mp-505663} |
| RD_003159408183_000 | computation | Reference Data From Materials Project: {formula:Cu4Te5(ClO3)4,spaceGroup:P4/n,id:mp-558364} |
| RD_003424744632_000 | computation | Reference Data From Materials Project: {formula:ZnH12N4(ClO4)2,spaceGroup:F-43m,id:mp-23998} |
| RD_003876511961_000 | computation | Reference Data From Materials Project: {formula:BaLa2Cl8,spaceGroup:C2/m,id:mp-771973} |
| RD_004668221009_000 | computation | Reference Data From Materials Project: {formula:CsNiCl3,spaceGroup:P6_3/mmc,id:mp-22950} |
| RD_005221857857_000 | computation | Reference Data From Materials Project: {formula:FeS4N4Cl3,spaceGroup:P2_1/c,id:mp-557085} |
| RD_005628252229_000 | computation | Reference Data From Materials Project: {formula:ReCl4,spaceGroup:P2/c,id:mp-27340} |
| RD_005657118686_000 | computation | Reference Data From Materials Project: {formula:Rb2CrCl4,spaceGroup:I4/mmm,id:mp-570910} |
| RD_005731400743_000 | computation | Reference Data From Materials Project: {formula:Lu2CCl2,spaceGroup:R-3m,id:mp-573376} |
| RD_005814721139_000 | computation | Reference Data From Materials Project: {formula:PtCl3,spaceGroup:R-3,id:mp-31134} |
| RD_006051229762_000 | computation | Reference Data From Materials Project: {formula:Nb2Tl5S4Cl9,spaceGroup:Immm,id:mp-555900} |
| RD_006253665308_000 | computation | Reference Data From Materials Project: {formula:HgH10N2Cl4O,spaceGroup:Pbam,id:mp-780171} |
| RD_006523257452_000 | computation | Reference Data From Materials Project: {formula:TlZnSClO4,spaceGroup:P2_1/c,id:mp-23146} |
| RD_006605364684_000 | computation | Reference Data From Materials Project: {formula:KMo2Cl7O2,spaceGroup:C2/c,id:mp-565509} |
| RD_006954177881_000 | computation | Reference Data From Materials Project: {formula:Sb2ClF17,spaceGroup:P2_1/c,id:mp-559349} |
| RD_007024096205_000 | computation | Reference Data From Materials Project: {formula:VPbClO3,spaceGroup:Pmcn,id:mp-566304} |
| RD_007041448181_000 | computation | Reference Data From Materials Project: {formula:TaH20C6N3Cl4,spaceGroup:P2_1/c,id:mp-571507} |
| RD_007307543377_000 | computation | Reference Data From Materials Project: {formula:AlAs3(SeCl)4,spaceGroup:C2/c,id:mp-567734} |
| RD_007897310920_000 | computation | Reference Data From Materials Project: {formula:RbClO4,spaceGroup:F-43m,id:mp-550759} |
| RD_008074406260_000 | computation | Reference Data From Materials Project: {formula:Sr2FeClO3,spaceGroup:P4/nmm,id:mp-630641} |
| RD_008245740032_000 | computation | Reference Data From Materials Project: {formula:Cs2CrCl4,spaceGroup:I4/mmm,id:mp-28497} |
| RD_008525604184_000 | computation | Reference Data From Materials Project: {formula:PbCl2,spaceGroup:P2_1/c,id:mp-619071} |
| RD_009424384841_000 | computation | Reference Data From Materials Project: {formula:Li6CoCl8,spaceGroup:Fm-3m,id:mp-505391} |
| RD_009636968769_000 | computation | ClNa 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_010189589403_000 | computation | Reference Data From Materials Project: {formula:K2Pr4Cl9O2,spaceGroup:P2_1/m,id:mp-558801} |
| RD_010310192170_000 | computation | Reference Data From Materials Project: {formula:FeCoH18(NCl)6,spaceGroup:Pa3,id:mp-24447} |
| RD_010487081603_000 | computation | ClNa 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_010492603632_000 | computation | Reference Data From Materials Project: {formula:Ag15P4S16Cl3,spaceGroup:I-43d,id:mp-560328} |
| RD_010745597281_000 | computation | Reference Data From Materials Project: {formula:Tl2SnCl6,spaceGroup:Fm-3m,id:mp-27832} |
| RD_011550880603_000 | computation | Reference Data From Materials Project: {formula:ReH8(NCl3)2,spaceGroup:Fm-3m,id:mp-632724} |
| RD_011628596075_000 | computation | Reference Data From Materials Project: {formula:Sc5Cl8,spaceGroup:C2/m,id:mp-542449} |
| RD_011629374083_000 | computation | Reference Data From Materials Project: {formula:InCu6ClO8,spaceGroup:Fm-3m,id:mp-616501} |
| RD_011991969816_000 | computation | Reference Data From Materials Project: {formula:K2ReCl5O,spaceGroup:Pcmn,id:mp-556347} |
| RD_012398464948_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_012860289521_000 | computation | Reference Data From Materials Project: {formula:YH12(ClO2)3,spaceGroup:P2/c,id:mp-23958} |
| RD_013439249722_000 | computation | Reference Data From Materials Project: {formula:AsS(ClF2)3,spaceGroup:P2_12_12_1,id:mp-556705} |
| RD_014187651935_000 | computation | Reference Data From Materials Project: {formula:FePCl8,spaceGroup:Pbcm,id:mp-540760} |
| RD_014412474555_000 | computation | Reference Data From Materials Project: {formula:SbI3Cl8,spaceGroup:P-1,id:mp-23536} |
| RD_014467063686_000 | computation | Reference Data From Materials Project: {formula:ZnCu3H6(ClO3)2,spaceGroup:P-3m1,id:mp-560161} |
| RD_014471141680_000 | computation | Reference Data From Materials Project: {formula:Ca3Cu2(ClO2)2,spaceGroup:I4/mmm,id:mp-23095} |
| RD_014562206550_000 | computation | ClLi 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_014728755952_000 | computation | Reference Data From Materials Project: {formula:Cs2PbCl6,spaceGroup:Fm-3m,id:mp-23425} |
| RD_014863608174_000 | computation | Reference Data From Materials Project: {formula:Na4Ga3Si3ClO12,spaceGroup:P-43n,id:mp-23656} |
| RD_015271765607_000 | computation | Reference Data From Materials Project: {formula:Ba2InClO3,spaceGroup:P4/nmm,id:mp-558243} |
| RD_017049327495_000 | computation | Reference Data From Materials Project: {formula:K6Fe24S26Cl,spaceGroup:I4/mmm,id:mp-680728} |
| RD_017086406781_000 | computation | Reference Data From Materials Project: {formula:PrB2ClO4,spaceGroup:P-1,id:mp-556450} |
| RD_017237106280_000 | computation | Reference Data From Materials Project: {formula:NClOF4,spaceGroup:I4cm,id:mp-556500} |
| RD_017789614334_000 | computation | Reference Data From Materials Project: {formula:Cd4NiH20(ClO)10,spaceGroup:P2_1/c,id:mp-745114} |
| RD_018074250592_000 | computation | Reference Data From Materials Project: {formula:MoP2NCl12,spaceGroup:P2_1/c,id:mp-582976} |
| RD_018095211826_000 | computation | Reference Data From Materials Project: {formula:Y3Si2ClO8,spaceGroup:Pbnm,id:mp-558883} |
| RD_018775759551_000 | computation | Reference Data From Materials Project: {formula:Rb3PbCl5,spaceGroup:Pbnm,id:mp-29883} |
| RD_018992416498_000 | computation | Reference Data From Materials Project: {formula:MgCoH16(ClO2)4,spaceGroup:P-1,id:mp-743870} |
| RD_019285699153_000 | computation | Reference Data From Materials Project: {formula:C(ClF)2,spaceGroup:F2dd,id:mp-22966} |
| RD_019829912150_000 | computation | Reference Data From Materials Project: {formula:Cr4Si2Cl2O7,spaceGroup:Pc,id:mp-567043} |
| RD_020249469837_000 | computation | Reference Data From Materials Project: {formula:Ga3Bi5Cl12,spaceGroup:R3c,id:mp-569854} |
| RD_020273614152_000 | computation | Reference Data From Materials Project: {formula:MoCl5,spaceGroup:Pbnm,id:mp-569855} |
| RD_020617022440_000 | computation | Reference Data From Materials Project: {formula:Ag4Te(ClO3)2,spaceGroup:P2_13,id:mp-738646} |
| RD_020705272830_000 | computation | Reference Data From Materials Project: {formula:Sr5As3ClO12,spaceGroup:P6_3/m,id:mp-559965} |
| RD_020726247271_000 | computation | Reference Data From Materials Project: {formula:Cs3Fe2Cl9,spaceGroup:P6_3/mmc,id:mp-29575} |
| RD_020802143969_000 | computation | Reference Data From Materials Project: {formula:CoH17S2N5ClO4,spaceGroup:Pnma,id:mp-745061} |
| RD_021028375998_000 | computation | Reference Data From Materials Project: {formula:InCu6ClO8,spaceGroup:Fm-3m,id:mp-616501} |
| RD_021081159991_000 | computation | ClRb 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_021618341975_000 | computation | Reference Data From Materials Project: {formula:Ce3CCl5,spaceGroup:C2/c,id:mp-580802} |
| RD_021867119611_000 | computation | Reference Data From Materials Project: {formula:Lu(ClO4)3,spaceGroup:R3c,id:mp-29789} |
| RD_021885723637_000 | computation | Reference Data From Materials Project: {formula:SbRu2C6Cl7O6,spaceGroup:P2_1/c,id:mp-662588} |
| RD_021970257191_000 | computation | Reference Data From Materials Project: {formula:BiClF8,spaceGroup:P-1,id:mp-28194} |
| RD_022005367891_000 | computation | Reference Data From Materials Project: {formula:KRuH18N6(ClO2)4,spaceGroup:R-3m,id:mp-24132} |
| RD_022378290850_000 | computation | Reference Data From Materials Project: {formula:BaCu2Te2(ClO3)2,spaceGroup:P2_1,id:mp-554401} |
| RD_023307818250_000 | computation | Reference Data From Materials Project: {formula:NbCl5,spaceGroup:C2/m,id:mp-23307} |
| RD_023424879955_000 | computation | Reference Data From Materials Project: {formula:TiCl3,spaceGroup:P3_112,id:mp-569756} |
| RD_023522754355_000 | computation | Reference Data From Materials Project: {formula:Dy3Si2Cl5O6,spaceGroup:C2/m,id:mp-560593} |
| RD_023654988946_000 | computation | Reference Data From Materials Project: {formula:Ni3B7ClO13,spaceGroup:Pbc2_1,id:mp-567012} |
| RD_023739201259_000 | computation | Reference Data From Materials Project: {formula:CaFeClO2,spaceGroup:C2/m,id:mp-558942} |
| RD_023996425511_000 | computation | Reference Data From Materials Project: {formula:Cs2GeCl6,spaceGroup:Fm-3m,id:mp-27882} |
| RD_024349121940_000 | computation | Reference Data From Materials Project: {formula:AlS2NCl4,spaceGroup:Pmnb,id:mp-559963} |
| RD_024699598292_000 | computation | Reference Data From Materials Project: {formula:MgCl2,spaceGroup:Pmcm,id:mp-571387} |
| RD_025153424028_000 | computation | Reference Data From Materials Project: {formula:MgCl2,spaceGroup:P-4m2,id:mp-570922} |
| RD_025302727425_000 | computation | Reference Data From Materials Project: {formula:CsCoH18N6(ClO2)4,spaceGroup:Cm,id:mp-705517} |
| RD_025339834642_000 | computation | Reference Data From Materials Project: {formula:Cu3BiSe2ClO8,spaceGroup:Pmnm,id:mp-505104} |
| RD_025879128654_000 | computation | Reference Data From Materials Project: {formula:HgHClO4,spaceGroup:Pcmb,id:mp-24294} |
| RD_026350677357_000 | computation | Reference Data From Materials Project: {formula:Hg2H10C3NCl5,spaceGroup:P-1,id:mp-571435} |
| RD_026394553965_000 | computation | Reference Data From Materials Project: {formula:Mo8P9H56N12ClO56,spaceGroup:P-4,id:mp-604773} |
| RD_027336703492_000 | computation | Reference Data From Materials Project: {formula:CsLaZr6FeCl18,spaceGroup:P-31c,id:mp-569543} |
| RD_027398460920_000 | computation | Reference Data From Materials Project: {formula:PbCClO2,spaceGroup:C2/m,id:mp-552056} |
| RD_027525009192_000 | computation | Reference Data From Materials Project: {formula:La4C5Cl2,spaceGroup:P-1,id:mp-647035} |
| RD_027812217688_000 | computation | ClNa 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_027888502204_000 | computation | Reference Data From Materials Project: {formula:BaY3Cl11,spaceGroup:Pbmm,id:mp-769003} |
| RD_027973452402_000 | computation | Reference Data From Materials Project: {formula:Cs3Fe2Cl9,spaceGroup:P-3m1,id:mp-634977} |
| RD_028032198821_000 | computation | Reference Data From Materials Project: {formula:KSbClF3,spaceGroup:Pbca,id:mp-23634} |
| RD_028210388679_000 | computation | Reference Data From Materials Project: {formula:In2Cl3,spaceGroup:Pnam,id:mp-667324} |
| RD_028329901182_000 | computation | Reference Data From Materials Project: {formula:Pr3Nb(Cl3O2)2,spaceGroup:P6_3/m,id:mp-560873} |
| RD_028796792095_000 | computation | Reference Data From Materials Project: {formula:K2Sn5Cl12,spaceGroup:Pm,id:mp-675541} |
| RD_029020955449_000 | computation | Reference Data From Materials Project: {formula:Ba5Re3ClO15,spaceGroup:P6_3cm,id:mp-556647} |
| RD_029259992577_000 | computation | Reference Data From Materials Project: {formula:BaLaCl5,spaceGroup:Pnma,id:mp-770125} |
| RD_029385079489_000 | computation | Reference Data From Materials Project: {formula:AgHg3As2Cl3,spaceGroup:C2/c,id:mp-567890} |
| RD_030136504660_000 | computation | Reference Data From Materials Project: {formula:MoP(Cl3O)2,spaceGroup:P2_1/c,id:mp-566590} |
| RD_030510251348_000 | computation | Reference Data From Materials Project: {formula:Ca(ClO2)2,spaceGroup:Ccce,id:mp-561366} |
| RD_030604983709_000 | computation | Reference Data From Materials Project: {formula:TbMoClO4,spaceGroup:C2/m,id:mp-567046} |
| RD_031281927084_000 | computation | Reference Data From Materials Project: {formula:PClOF2,spaceGroup:Pmcn,id:mp-558681} |
| RD_031388178445_000 | computation | Reference Data From Materials Project: {formula:FeS4N4Cl5,spaceGroup:P-1,id:mp-559716} |
| RD_031477397469_000 | computation | Reference Data From Materials Project: {formula:Cs2TaCl6,spaceGroup:Fm-3m,id:mp-569885} |
| RD_031563119609_000 | computation | Reference Data From Materials Project: {formula:VS2N3Cl2,spaceGroup:P-1,id:mp-559033} |
| RD_032027042929_000 | computation | Reference Data From Materials Project: {formula:NaCl,spaceGroup:Fm-3m,id:mp-22862} |
| RD_032493073267_000 | computation | Reference Data From Materials Project: {formula:Mn8Cl3O10,spaceGroup:I4/mmm,id:mp-25773} |
| RD_032708228556_000 | computation | Reference Data From Materials Project: {formula:EuBa2Cl7,spaceGroup:P2_1/c,id:mp-29550} |
| RD_032847925385_000 | computation | Reference Data From Materials Project: {formula:BiCl3,spaceGroup:Pbnm,id:mp-22908} |
| RD_033289472169_000 | computation | Reference Data From Materials Project: {formula:TiP2Cl8O3,spaceGroup:P2_1/c,id:mp-557289} |
| RD_033538791526_000 | computation | Reference Data From Materials Project: {formula:Nb(SeCl)2,spaceGroup:P-1,id:mp-27361} |
| RD_033596348540_000 | computation | Reference Data From Materials Project: {formula:MnTlCl3,spaceGroup:Pmnb,id:mp-570300} |
| RD_033766201984_000 | computation | Reference Data From Materials Project: {formula:As2Pb14Cl4O17,spaceGroup:C2/c,id:mp-680722} |
| RD_033837385957_000 | computation | Reference Data From Materials Project: {formula:PS2N(Cl3O2)2,spaceGroup:Pbnm,id:mp-559879} |
| RD_033998854309_000 | computation | Reference Data From Materials Project: {formula:Ca3Fe2Cl2O5,spaceGroup:I4/mmm,id:mp-566329} |
| RD_034509686978_000 | computation | Reference Data From Materials Project: {formula:MgH4(ClO)2,spaceGroup:C2/m,id:mp-24336} |
| RD_034772184130_000 | computation | Reference Data From Materials Project: {formula:K2TeCl6,spaceGroup:Fm-3m,id:mp-569149} |
| RD_035317230478_000 | computation | Reference Data From Materials Project: {formula:Tm(ClO4)3,spaceGroup:R3c,id:mp-772186} |
| RD_035823647058_000 | computation | Reference Data From Materials Project: {formula:CsSbClF3,spaceGroup:I-42m,id:mp-23576} |
| RD_035915009583_000 | computation | Reference Data From Materials Project: {formula:TaBi4ClO8,spaceGroup:Pbcn,id:mp-23602} |
| RD_035940759632_000 | computation | Reference Data From Materials Project: {formula:As4S11(N6Cl7)2,spaceGroup:P-42_1c,id:mp-706455} |
| RD_036381119911_000 | computation | Reference Data From Materials Project: {formula:Ba3Li2Mo4P6(ClO14)2,spaceGroup:P2_12_12_1,id:mp-699932} |
| RD_036501739091_000 | computation | Reference Data From Materials Project: {formula:Na21S7Cl(O14F3)2,spaceGroup:P31m,id:mp-680169} |
| RD_036563296409_000 | computation | Reference Data From Materials Project: {formula:Zr6CCl14,spaceGroup:Cmce,id:mp-29357} |
| RD_036653275196_000 | computation | Reference Data From Materials Project: {formula:Eu(ClO4)3,spaceGroup:P6_3/m,id:mp-627640} |
| RD_037230830431_000 | computation | Reference Data From Materials Project: {formula:NClO6,spaceGroup:C2/c,id:mp-27774} |
| RD_037424217646_000 | computation | Reference Data From Materials Project: {formula:CrH17N4Cl2O3,spaceGroup:P2_1/c,id:mp-735512} |
| RD_037441974072_000 | computation | Reference Data From Materials Project: {formula:H6RuN3Cl3O,spaceGroup:P2_1/c,id:mp-553901} |
| RD_037720694786_000 | computation | Reference Data From Materials Project: {formula:FeCl2,spaceGroup:P-3m1,id:mp-571096} |
| RD_037809258229_000 | computation | Reference Data From Materials Project: {formula:Rb2WCl6,spaceGroup:Fm-3m,id:mp-30227} |
| RD_038005116557_000 | computation | Reference Data From Materials Project: {formula:Hg7Cl2O3,spaceGroup:Pbcm,id:mp-541193} |
| RD_039363705005_000 | computation | Reference Data From Materials Project: {formula:H21C6N2Cl3,spaceGroup:P2_1,id:mp-759161} |
| RD_039632598077_000 | computation | Reference Data From Materials Project: {formula:SbCNCl5,spaceGroup:P2_1/c,id:mp-568590} |
| RD_039760656656_000 | computation | Reference Data From Materials Project: {formula:Nd5Te2Cl3O10,spaceGroup:C2/m,id:mp-560170} |
| RD_039922284644_000 | computation | Reference Data From Materials Project: {formula:Ba2GdCl7,spaceGroup:P2_1/c,id:mp-29084} |
| RD_039945225318_000 | computation | Reference Data From Materials Project: {formula:Sr5Cr3ClO12,spaceGroup:P6_3/m,id:mp-566234} |
| RD_040117156396_000 | computation | Reference Data From Materials Project: {formula:Nb3Te4ClO15,spaceGroup:P1,id:mp-669521} |
| RD_040180432415_000 | computation | Reference Data From Materials Project: {formula:VCl4,spaceGroup:P2/c,id:mp-865511} |
| RD_040655776012_000 | computation | Reference Data From Materials Project: {formula:Rb3YCl6,spaceGroup:C2/c,id:mp-574571} |
| RD_040667135811_000 | computation | Reference Data From Materials Project: {formula:BaLaCl5,spaceGroup:P2_1/c,id:mp-773141} |
| RD_040726309456_000 | computation | Reference Data From Materials Project: {formula:Ba2BN2Cl,spaceGroup:I4_132,id:mp-568923} |
| RD_040941609446_000 | computation | Reference Data From Materials Project: {formula:Sr4Cl6O,spaceGroup:P6_3mc,id:mp-23321} |
| RD_040948169858_000 | computation | Reference Data From Materials Project: {formula:InTeClO3,spaceGroup:P2_1/c,id:mp-557992} |
| RD_041133329123_000 | computation | Reference Data From Materials Project: {formula:Zn2SeCl2O3,spaceGroup:P2_1/c,id:mp-561112} |
| RD_041636415445_000 | computation | Reference Data From Materials Project: {formula:Cs3Zr7BCl20,spaceGroup:R-3c,id:mp-567781} |
| RD_041774370729_000 | computation | Reference Data From Materials Project: {formula:NpCl4,spaceGroup:I4_1/amd,id:mp-23161} |
| RD_042077359583_000 | computation | Reference Data From Materials Project: {formula:TeC6(ClF7)2,spaceGroup:C2/c,id:mp-560280} |
| RD_043147044129_000 | computation | Reference Data From Materials Project: {formula:Cs2MoCl6,spaceGroup:Fm-3m,id:mp-570990} |
| RD_043611621878_000 | computation | Reference Data From Materials Project: {formula:Ca12Al11Si3Cl5O32,spaceGroup:P1,id:mp-720971} |
| RD_043630341515_000 | computation | Reference Data From Materials Project: {formula:NpH16C4N8ClO6,spaceGroup:C2/c,id:mp-698125} |
| RD_044060857950_000 | computation | ClNa 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_045048785618_000 | computation | Reference Data From Materials Project: {formula:FeMoClO4,spaceGroup:P2_1/m,id:mp-25525} |
| RD_045251408049_000 | computation | Reference Data From Materials Project: {formula:C3ICl(OF3)2,spaceGroup:P2_1/c,id:mp-554739} |
| RD_045434666817_000 | computation | Reference Data From Materials Project: {formula:Yb(ClO4)3,spaceGroup:R3c,id:mp-557044} |
| RD_045749562897_000 | computation | Reference Data From Materials Project: {formula:Cs3Sb2Cl9,spaceGroup:P-3m1,id:mp-27629} |
| RD_046345711349_000 | computation | Reference Data From Materials Project: {formula:SbClF10,spaceGroup:Pcmb,id:mp-29940} |
| RD_046517997891_000 | computation | Reference Data From Materials Project: {formula:ScH3(ClO5)2,spaceGroup:P2_1/c,id:mp-756748} |
| RD_047224735512_000 | computation | Reference Data From Materials Project: {formula:Pb7(ClF6)2,spaceGroup:P-6,id:mp-27581} |
| RD_047628265464_000 | computation | Reference Data From Materials Project: {formula:Rb2SeCl6,spaceGroup:Fm-3m,id:mp-27829} |
| RD_048016220133_000 | computation | Reference Data From Materials Project: {formula:MnH12N2(Cl2O)2,spaceGroup:I-42m,id:mp-703684} |
| RD_048229766168_000 | computation | Reference Data From Materials Project: {formula:PbClF,spaceGroup:P4/nmm,id:mp-613652} |
| RD_048728687943_000 | computation | Reference Data From Materials Project: {formula:SbH18C3(NCl2)3,spaceGroup:P2_1/c,id:mp-569604} |
| RD_049211846062_000 | computation | Reference Data From Materials Project: {formula:Cs2NaYCl6,spaceGroup:Fm-3m,id:mp-23120} |
| RD_049413871590_000 | computation | Reference Data From Materials Project: {formula:MoCl3,spaceGroup:C2/c,id:mp-568394} |
| RD_049992599082_000 | computation | Reference Data From Materials Project: {formula:BaZnCl4,spaceGroup:Pcnb,id:mp-23522} |
| RD_050183763242_000 | computation | Reference Data From Materials Project: {formula:KClO2,spaceGroup:Ccmm,id:mp-31368} |
| RD_050575828281_000 | computation | Reference Data From Materials Project: {formula:Cu2Te2Cl2O5,spaceGroup:P-4,id:mp-581276} |
| RD_051037081226_000 | computation | Reference Data From Materials Project: {formula:SmClO,spaceGroup:P4/nmm,id:mp-27823} |
| RD_051217348099_000 | computation | Reference Data From Materials Project: {formula:ScH13Cl2O7,spaceGroup:Pmnn,id:mp-541015} |
| RD_051828016889_000 | computation | Reference Data From Materials Project: {formula:Ag2CSNClO4,spaceGroup:C2/c,id:mp-680067} |
| RD_051856618534_000 | computation | Reference Data From Materials Project: {formula:Li2CrH8Cl5O4,spaceGroup:C2/c,id:mp-770676} |
| RD_052180455195_000 | computation | Reference Data From Materials Project: {formula:Tl6SCl4,spaceGroup:P4/mnc,id:mp-28242} |
| RD_052236011848_000 | computation | Reference Data From Materials Project: {formula:AgClO2,spaceGroup:Cmme,id:mp-552169} |
| RD_052675399233_000 | computation | Reference Data From Materials Project: {formula:RbReCl4,spaceGroup:Ccmm,id:mp-504957} |
| RD_053097102551_000 | computation | Reference Data From Materials Project: {formula:Gd3CCl3,spaceGroup:I4_132,id:mp-28133} |
| RD_053132197391_000 | computation | Reference Data From Materials Project: {formula:ZrCl2,spaceGroup:R-3,id:mp-571537} |
| RD_053418257789_000 | computation | Reference Data From Materials Project: {formula:La4C5Cl2,spaceGroup:C2/m,id:mp-667192} |
| RD_053620015581_000 | computation | Reference Data From Materials Project: {formula:Nd4CuTe5(ClO5)3,spaceGroup:C2,id:mp-683957} |
| RD_053633969683_000 | computation | Reference Data From Materials Project: {formula:GaTeCl,spaceGroup:Pmnn,id:mp-27449} |
| RD_053836525614_000 | computation | Reference Data From Materials Project: {formula:ZnCl2,spaceGroup:P4_2/nmc,id:mp-567279} |
| RD_054508366421_000 | computation | Reference Data From Materials Project: {formula:PSN(Cl2O)2,spaceGroup:Pbca,id:mp-557775} |
| RD_054565426413_000 | computation | Reference Data From Materials Project: {formula:H2RuC3(ClO2)2,spaceGroup:P2_1/c,id:mp-758659} |
| RD_054597652185_000 | computation | Reference Data From Materials Project: {formula:Na2Ti3Cl8,spaceGroup:R-3m,id:mp-29474} |
| RD_054826394435_000 | computation | Reference Data From Materials Project: {formula:K3W2Cl9,spaceGroup:P6_3/m,id:mp-27506} |
| RD_055025732582_000 | computation | Reference Data From Materials Project: {formula:PAuClF3,spaceGroup:Pcmn,id:mp-558523} |
| RD_055236480617_000 | computation | Reference Data From Materials Project: {formula:HgH4C4(NCl2)2,spaceGroup:P2_1/c,id:mp-736259} |
| RD_055394799659_000 | computation | Reference Data From Materials Project: {formula:NbP2Se2Cl5,spaceGroup:P2_1/c,id:mp-570486} |
| RD_056397021377_000 | computation | Reference Data From Materials Project: {formula:InH8C8N4Cl7,spaceGroup:P2_12_12,id:mp-736446} |
| RD_057850898894_000 | computation | Reference Data From Materials Project: {formula:VCdClO3,spaceGroup:Pmcn,id:mp-567671} |
| RD_058112856403_000 | computation | Reference Data From Materials Project: {formula:Rb(WCl3)3,spaceGroup:P-3,id:mp-571180} |
| RD_058366203883_000 | computation | Reference Data From Materials Project: {formula:ClF3,spaceGroup:Pcmn,id:mp-556767} |
| RD_059341187330_000 | computation | Reference Data From Materials Project: {formula:Bi2Se4Cl7,spaceGroup:P-1,id:mp-505564} |
| RD_059494877668_000 | computation | Reference Data From Materials Project: {formula:HgH2NCl,spaceGroup:Pmma,id:mp-643754} |
| RD_059524590157_000 | computation | Reference Data From Materials Project: {formula:CsSbCl6,spaceGroup:C2/c,id:mp-567583} |
| RD_060015223960_000 | computation | Reference Data From Materials Project: {formula:In5Se5Cl,spaceGroup:P2_1/m,id:mp-568603} |
| RD_060447990631_000 | computation | Reference Data From Materials Project: {formula:H8PtN2(ClO)2,spaceGroup:P2_1/m,id:mp-722189} |
| RD_061449986013_000 | computation | Reference Data From Materials Project: {formula:K2CrH2Cl5O,spaceGroup:Pcmn,id:mp-542691} |
| RD_061666643594_000 | computation | Reference Data From Materials Project: {formula:AuCS2Cl3,spaceGroup:C2/c,id:mp-556112} |
| RD_061940160921_000 | computation | Reference Data From Materials Project: {formula:Pr8(BCl)7,spaceGroup:P-1,id:mp-568295} |
| RD_062248612834_000 | computation | Reference Data From Materials Project: {formula:CaCo2Te3(ClO4)2,spaceGroup:P2_1/c,id:mp-646538} |
| RD_062481261061_000 | computation | Reference Data From Materials Project: {formula:KCl,spaceGroup:Fm-3m,id:mp-23193} |
| RD_062566384528_000 | computation | ClI in AFLOW crystal prototype AB_mP16_14_2e_2e. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_062982679479_000 | computation | Reference Data From Materials Project: {formula:Sr2B5ClO9,spaceGroup:P2nn,id:mp-557330} |
| RD_063128610363_000 | computation | Reference Data From Materials Project: {formula:La3Ga4Cl,spaceGroup:I4/mcm,id:mp-631194} |
| RD_063252394279_000 | computation | Reference Data From Materials Project: {formula:Zr6FeCl14,spaceGroup:Cmce,id:mp-28903} |
| RD_063341580947_000 | computation | Reference Data From Materials Project: {formula:Na6CdCl8,spaceGroup:Fm-3m,id:mp-28022} |
| RD_063713354482_000 | computation | Reference Data From Materials Project: {formula:K2PdCl6,spaceGroup:Fm-3m,id:mp-23067} |
| RD_063744092608_000 | computation | Reference Data From Materials Project: {formula:Sc2NCl2,spaceGroup:P-3m1,id:mp-28480} |
| RD_063850832957_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_064014927484_000 | computation | Reference Data From Materials Project: {formula:TaPCl10,spaceGroup:P-1,id:mp-27788} |
| RD_064254791661_000 | computation | Reference Data From Materials Project: {formula:Sr2CuClO2,spaceGroup:P3_121,id:mp-561243} |
| RD_064722341781_000 | computation | Reference Data From Materials Project: {formula:TlH4NCl4,spaceGroup:I4_1/a,id:mp-24375} |
| RD_064909009432_000 | computation | Reference Data From Materials Project: {formula:TiCl3,spaceGroup:C2/c,id:mp-571424} |
| RD_065049958658_000 | computation | Reference Data From Materials Project: {formula:P3NCl12,spaceGroup:P2_1/c,id:mp-569386} |
| RD_065092607590_000 | computation | Reference Data From Materials Project: {formula:GdCl3,spaceGroup:P6_3/m,id:mp-23265} |
| RD_065291346327_000 | computation | Reference Data From Materials Project: {formula:Li4H3ClO3,spaceGroup:P2_1/m,id:mp-643259} |
| RD_065490868544_000 | computation | Reference Data From Materials Project: {formula:Hf(SeCl6)2,spaceGroup:Fd2d,id:mp-571313} |
| RD_065602505463_000 | computation | Reference Data From Materials Project: {formula:BaHg2(ClO)2,spaceGroup:P4/mbm,id:mp-555736} |
| RD_065904937255_000 | computation | Reference Data From Materials Project: {formula:Li4Al3Ge3ClO12,spaceGroup:P-43n,id:mp-556886} |
| RD_066655159387_000 | computation | Reference Data From Materials Project: {formula:Rb2CrCl4,spaceGroup:C2/m,id:mp-676398} |
| RD_066822794407_000 | computation | Reference Data From Materials Project: {formula:SnPCl9,spaceGroup:Cmme,id:mp-569653} |
| RD_067029724197_000 | computation | Reference Data From Materials Project: {formula:Te2WCl6,spaceGroup:P-1,id:mp-569824} |
| RD_068204659843_000 | computation | Reference Data From Materials Project: {formula:NaZr2SN2Cl,spaceGroup:P2_1/c,id:mp-679669} |
| RD_068239236203_000 | computation | Reference Data From Materials Project: {formula:Na3CrCl6,spaceGroup:P-31c,id:mp-28360} |
| RD_068554237807_000 | computation | Reference Data From Materials Project: {formula:Mn2InC10ClO10,spaceGroup:P-1,id:mp-683791} |
| RD_068786057512_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_068890324049_000 | computation | Cl in AFLOW crystal prototype A_tP16_138_j. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_069249155879_000 | computation | Reference Data From Materials Project: {formula:CoH14C3NCl3O2,spaceGroup:Pmcn,id:mp-600527} |
| RD_069314885572_000 | computation | Reference Data From Materials Project: {formula:Pb2ClOF,spaceGroup:Cmme,id:mp-23104} |
| RD_069448562288_000 | computation | Reference Data From Materials Project: {formula:As3Pb5ClO12,spaceGroup:P6_3/m,id:mp-645291} |
| RD_069584083228_000 | computation | Reference Data From Materials Project: {formula:FeN3ClO3,spaceGroup:P6_3mc,id:mp-566054} |
| RD_070011687660_000 | computation | Reference Data From Materials Project: {formula:MoNCl3,spaceGroup:P-1,id:mp-23396} |
| RD_070220653898_000 | computation | Reference Data From Materials Project: {formula:K4W2Cl10O,spaceGroup:I4/mmm,id:mp-566242} |
| RD_070561323658_000 | computation | Reference Data From Materials Project: {formula:Gd3Si2Cl5O6,spaceGroup:C2/m,id:mp-560513} |
| RD_070786388832_000 | computation | Reference Data From Materials Project: {formula:FeSCl7,spaceGroup:P2_1/c,id:mp-866711} |
| RD_071236813845_000 | computation | Reference Data From Materials Project: {formula:AlPNCl5,spaceGroup:P-1,id:mp-567975} |
| RD_071618757801_000 | computation | Reference Data From Materials Project: {formula:H5ClO6,spaceGroup:Pnma,id:mp-626222} |
| RD_073078228227_000 | computation | Reference Data From Materials Project: {formula:SNClO4,spaceGroup:P2_1/c,id:mp-672675} |
| RD_073145617437_000 | computation | Reference Data From Materials Project: {formula:Cs2NaUCl6,spaceGroup:Fm-3m,id:mp-23108} |
| RD_073206050287_000 | computation | Reference Data From Materials Project: {formula:CsYSeCl2O3,spaceGroup:P2_1/c,id:mp-555160} |
| RD_073851525408_000 | computation | Reference Data From Materials Project: {formula:NaW6CCl18,spaceGroup:P6_3/m,id:mp-567182} |
| RD_073867018235_000 | computation | Reference Data From Materials Project: {formula:ZrCl3,spaceGroup:P-31m,id:mp-569391} |
| RD_074306404393_000 | computation | Reference Data From Materials Project: {formula:Ag2Bi2S3Cl2,spaceGroup:P-1,id:mp-559071} |
| RD_074378057152_000 | computation | Reference Data From Materials Project: {formula:Li4Be3As3ClO12,spaceGroup:P-43n,id:mp-560072} |
| RD_074381904477_000 | computation | Reference Data From Materials Project: {formula:Sr2LaCl7,spaceGroup:P2_1/c,id:mp-771888} |
| RD_074715419279_000 | computation | Reference Data From Materials Project: {formula:NbSeCl3,spaceGroup:P2/c,id:mp-570270} |
| RD_074717259773_000 | computation | Reference Data From Materials Project: {formula:SrH12(ClO3)2,spaceGroup:P321,id:mp-23885} |
| RD_075004926332_000 | computation | Reference Data From Materials Project: {formula:SbC(N3Cl2)3,spaceGroup:P2_1/c,id:mp-650049} |
| RD_075977828492_000 | computation | Reference Data From Materials Project: {formula:Hg6MoAs4Cl7,spaceGroup:Pa3,id:mp-568757} |
| RD_076125982915_000 | computation | Reference Data From Materials Project: {formula:K2OsNCl5,spaceGroup:Ccm2_1,id:mp-569207} |
| RD_076189176827_000 | computation | Reference Data From Materials Project: {formula:NaClO3,spaceGroup:P2_1/c,id:mp-630949} |
| RD_076423215454_000 | computation | Reference Data From Materials Project: {formula:Hg6S4Br3Cl,spaceGroup:C2/m,id:mp-23586} |
| RD_077086657791_000 | computation | Reference Data From Materials Project: {formula:WS2(NCl)3,spaceGroup:P2_1/c,id:mp-555688} |
| RD_077138281136_000 | computation | Reference Data From Materials Project: {formula:Eu(ClO4)3,spaceGroup:P6_3/m,id:mp-627640} |
| RD_077320201870_000 | computation | Reference Data From Materials Project: {formula:Ag15P4S16Cl3,spaceGroup:I-43d,id:mp-560328} |
| RD_077469592191_000 | computation | Reference Data From Materials Project: {formula:SrH4(ClO)2,spaceGroup:C2/c,id:mp-643026} |
| RD_077786155444_000 | computation | Reference Data From Materials Project: {formula:Gd3NCl6,spaceGroup:P-1,id:mp-651160} |
| RD_077911153873_000 | computation | Reference Data From Materials Project: {formula:Sr10Al2ClF25,spaceGroup:Fd-3m,id:mp-555507} |
| RD_078046744247_000 | computation | Reference Data From Materials Project: {formula:Nb3(Bi5Cl9)2,spaceGroup:P3,id:mp-685855} |
| RD_079071576885_000 | computation | Reference Data From Materials Project: {formula:BaH5ClO3,spaceGroup:P4/nmm,id:mp-642834} |
| RD_079480096785_000 | computation | Reference Data From Materials Project: {formula:CsW3Br3Cl4,spaceGroup:P31c,id:mp-582076} |
| RD_080329968716_000 | computation | Reference Data From Materials Project: {formula:Na6S2ClO8F,spaceGroup:Fm-3m,id:mp-23657} |
| RD_080675746398_000 | computation | Reference Data From Materials Project: {formula:CuH4C3ClO2,spaceGroup:Pbca,id:mp-707169} |
| RD_080749569518_000 | computation | Reference Data From Materials Project: {formula:Bi2Te4Cl7,spaceGroup:P2_12_12_1,id:mp-29991} |
| RD_080909303591_000 | computation | Reference Data From Materials Project: {formula:MnTlCl3,spaceGroup:Pm-3m,id:mp-570290} |
| RD_080931269011_000 | computation | Reference Data From Materials Project: {formula:K3NaFeCl6,spaceGroup:R-3m,id:mp-752477} |
| RD_081500651040_000 | computation | Reference Data From Materials Project: {formula:H8Pd(NCl3)2,spaceGroup:Fm-3m,id:mp-643397} |
| RD_081893523474_000 | computation | Reference Data From Materials Project: {formula:YCu3Se2ClO8,spaceGroup:Pmnm,id:mp-581370} |
| RD_082676790342_000 | computation | Reference Data From Materials Project: {formula:Mo3N2Cl11,spaceGroup:Pbc2_1,id:mp-680300} |
| RD_082680894977_000 | computation | Reference Data From Materials Project: {formula:CaH4(ClO)2,spaceGroup:Pbcn,id:mp-696166} |
| RD_082712284698_000 | computation | Reference Data From Materials Project: {formula:BCl2,spaceGroup:Pbca,id:mp-23316} |
| RD_082877503837_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_082949578575_000 | computation | Reference Data From Materials Project: {formula:NbSe2SN2ClF6,spaceGroup:P2_1/c,id:mp-560589} |
| RD_083029376618_000 | computation | Reference Data From Materials Project: {formula:As2Cl3OF5,spaceGroup:P2_1/c,id:mp-557417} |
| RD_083301156229_000 | computation | Reference Data From Materials Project: {formula:K(WCl3)3,spaceGroup:P-31m,id:mp-569185} |
| RD_083371154359_000 | computation | Reference Data From Materials Project: {formula:Hg3AsClO4,spaceGroup:P2_13,id:mp-23644} |
| RD_084167075848_000 | computation | Reference Data From Materials Project: {formula:K4Al3Si3ClO12,spaceGroup:P-43n,id:mp-23149} |
| RD_084267223985_000 | computation | Reference Data From Materials Project: {formula:VS2N3Cl2,spaceGroup:P-1,id:mp-558979} |
| RD_084372221507_000 | computation | Reference Data From Materials Project: {formula:FeMoClO4,spaceGroup:P4/nmm,id:mp-24968} |
| RD_084770015435_000 | computation | Reference Data From Materials Project: {formula:RbClO4,spaceGroup:C2/c,id:mp-676103} |
| RD_085037050746_000 | computation | Reference Data From Materials Project: {formula:La2CN3Cl,spaceGroup:Cmmm,id:mp-567756} |
| RD_085422461822_000 | computation | Reference Data From Materials Project: {formula:VCl2O,spaceGroup:C2/c,id:mp-690526} |
| RD_085482421026_000 | computation | Reference Data From Materials Project: {formula:Ce9Sb16Cl3,spaceGroup:P6_3/m,id:mp-567514} |
| RD_085754855040_000 | computation | Reference Data From Materials Project: {formula:AlBiSCl4,spaceGroup:I-4,id:mp-561350} |
| RD_085864795964_000 | computation | Reference Data From Materials Project: {formula:LaH24C3N3(Cl2O)3,spaceGroup:Pmcn,id:mp-600190} |
| RD_086105833998_000 | computation | Reference Data From Materials Project: {formula:Bi3(TeCl5)2,spaceGroup:P-1,id:mp-623135} |
| RD_086519173369_000 | computation | Reference Data From Materials Project: {formula:Al(SeCl2)2,spaceGroup:Pmcb,id:mp-574529} |
| RD_086564757495_000 | computation | Reference Data From Materials Project: {formula:La3BCCl3,spaceGroup:P2_1/m,id:mp-571135} |
| RD_086579715220_000 | computation | Reference Data From Materials Project: {formula:Mn2H30C9N3Cl7,spaceGroup:P6_3mc,id:mp-568698} |
| RD_086585222440_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_086623724721_000 | computation | Reference Data From Materials Project: {formula:NiH12(ClO6)2,spaceGroup:Pa3,id:mp-744217} |
| RD_087554853398_000 | computation | Reference Data From Materials Project: {formula:Al13Si5H18ClO38,spaceGroup:F-43m,id:mp-706657} |
| RD_087586661555_000 | computation | Reference Data From Materials Project: {formula:Sm8CrTe13Cl,spaceGroup:Cmc2_1,id:mp-680161} |
| RD_087780975788_000 | computation | Reference Data From Materials Project: {formula:LuCl3,spaceGroup:P6_3/mmc,id:mp-865324} |
| RD_088138059796_000 | computation | Reference Data From Materials Project: {formula:RbCdCl3,spaceGroup:Pmnb,id:mp-23390} |
| RD_088675296777_000 | computation | Reference Data From Materials Project: {formula:Mo2Cl4O,spaceGroup:C2,id:mp-690522} |
| RD_088855464962_000 | computation | Reference Data From Materials Project: {formula:Ge2RuC4(Cl3O2)2,spaceGroup:P2_1,id:mp-652274} |
| RD_088993317895_000 | computation | Reference Data From Materials Project: {formula:CoCl2,spaceGroup:C2/m,id:mp-632413} |
| RD_090092411196_000 | computation | Reference Data From Materials Project: {formula:Ag6Mo2ClO7F3,spaceGroup:P3m1,id:mp-566886} |
| RD_090357586803_000 | computation | Reference Data From Materials Project: {formula:ReRuCl2,spaceGroup:Fm-3m,id:mp-631417} |
| RD_090395720717_000 | computation | Reference Data From Materials Project: {formula:SnICl,spaceGroup:Pmnb,id:mp-571146} |
| RD_090775653625_000 | computation | Reference Data From Materials Project: {formula:Mg2PClO4,spaceGroup:P2_1cn,id:mp-555396} |
| RD_090786978692_000 | computation | Cl in AFLOW crystal prototype A_oC8_64_f. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_090968343829_000 | computation | Reference Data From Materials Project: {formula:Ba2YCl7,spaceGroup:P2_1/c,id:mp-768954} |
| RD_090971887536_000 | computation | Reference Data From Materials Project: {formula:PC2N3Cl4,spaceGroup:Cmcm,id:mp-567741} |
| RD_091547221630_000 | computation | Reference Data From Materials Project: {formula:Mn2PClO4,spaceGroup:P2_1cn,id:mp-566215} |
| RD_091593761827_000 | computation | Reference Data From Materials Project: {formula:SbCl5,spaceGroup:P6_3/mmc,id:mp-23176} |
| RD_091698753545_000 | computation | Reference Data From Materials Project: {formula:Pr3RuCl3,spaceGroup:Pmcn,id:mp-639135} |
| RD_091956128664_000 | computation | Reference Data From Materials Project: {formula:LaB2ClO4,spaceGroup:P-1,id:mp-559417} |
| RD_091979419420_000 | computation | Reference Data From Materials Project: {formula:UCl5,spaceGroup:P2_1/c,id:mp-570989} |
| RD_092257035272_000 | computation | Reference Data From Materials Project: {formula:K2SnCl6,spaceGroup:P2_1/c,id:mp-571453} |
| RD_092707015298_000 | computation | Reference Data From Materials Project: {formula:K3Sn5Cl3F10,spaceGroup:Cmcm,id:mp-557665} |
| RD_093132063870_000 | computation | Reference Data From Materials Project: {formula:KBS4(ClO3)4,spaceGroup:Cc,id:mp-560423} |
| RD_093166598170_000 | computation | ClNa in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_093187221272_000 | computation | Reference Data From Materials Project: {formula:Zr(Se2Cl3)2,spaceGroup:Pnaa,id:mp-30113} |
| RD_093256686726_000 | computation | Reference Data From Materials Project: {formula:W(S4Cl3)2,spaceGroup:P-1,id:mp-28575} |
| RD_093375616269_000 | computation | Reference Data From Materials Project: {formula:Nd4S3NCl3,spaceGroup:P6_3mc,id:mp-559514} |
| RD_093648361647_000 | computation | Reference Data From Materials Project: {formula:NiH12(ClO6)2,spaceGroup:Pa3,id:mp-744217} |
| RD_093848628148_000 | computation | Reference Data From Materials Project: {formula:NaClO3,spaceGroup:P1,id:mp-655586} |
| RD_093946724705_000 | computation | Reference Data From Materials Project: {formula:KSm2Cl5,spaceGroup:P2_1/c,id:mp-568044} |
| RD_094024343760_000 | computation | ClI in AFLOW crystal prototype AB_mP16_14_2e_2e. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_094522192824_000 | computation | Reference Data From Materials Project: {formula:GaSe3N2Cl5,spaceGroup:P2_1/c,id:mp-569902} |
| RD_094733522020_000 | computation | Reference Data From Materials Project: {formula:Ba2CoSe2(ClO3)2,spaceGroup:Pmnn,id:mp-629701} |
| RD_095036291049_000 | computation | Reference Data From Materials Project: {formula:TlClO4,spaceGroup:F-43m,id:mp-30530} |
| RD_095085011780_000 | computation | Reference Data From Materials Project: {formula:LaNb2ClO6,spaceGroup:Pmcn,id:mp-554475} |
| RD_095350726110_000 | computation | Reference Data From Materials Project: {formula:Cu4W(SCl)4,spaceGroup:I4/mmm,id:mp-672345} |
| RD_095390580186_000 | computation | ClNa 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_095410795785_000 | computation | Reference Data From Materials Project: {formula:TbSeClO3,spaceGroup:Pmnb,id:mp-554903} |
| RD_095582134197_000 | computation | Reference Data From Materials Project: {formula:Na2MnCl4,spaceGroup:Pmcb,id:mp-27280} |
| RD_095623382079_000 | computation | Reference Data From Materials Project: {formula:La3Ge3Cl2,spaceGroup:C2/m,id:mp-582828} |