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_543559861203_000 | computation | Reference Data From Materials Project: {formula:BaCaO2,spaceGroup:Pmnb,id:mp-756930} |
| RD_543678143746_000 | computation | Reference Data From Materials Project: {formula:Ca3AsN,spaceGroup:Pm-3m,id:mp-7223} |
| RD_544922254299_000 | computation | Reference Data From Materials Project: {formula:Ca2HfO4,spaceGroup:Pbam,id:mp-752413} |
| RD_545010745449_000 | computation | Reference Data From Materials Project: {formula:Ca(MnP)2,spaceGroup:P-3m1,id:mp-6953} |
| RD_545114970388_000 | computation | Reference Data From Materials Project: {formula:Ca2TiAlSi2O9F,spaceGroup:P-1,id:mp-695698} |
| RD_545144967066_000 | computation | Reference Data From Materials Project: {formula:Ca3Ta2O8,spaceGroup:Cmce,id:mp-769381} |
| RD_546555831967_000 | computation | Reference Data From Materials Project: {formula:KCa5Mg5Al(SiO3)12,spaceGroup:C2,id:mp-534793} |
| RD_546642335347_000 | computation | Reference Data From Materials Project: {formula:CaCdSn,spaceGroup:P-62m,id:mp-568695} |
| RD_546702247547_000 | computation | Reference Data From Materials Project: {formula:Li2Ca4Si4O13,spaceGroup:P-1,id:mp-556137} |
| RD_546793022947_000 | computation | CaZn in AFLOW crystal prototype A5B3_tI32_140_cl_ah (Cr5B3). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_547020576335_000 | computation | Reference Data From Materials Project: {formula:CaPt3O4,spaceGroup:Pm-3n,id:mp-755647} |
| RD_547093738570_000 | computation | Reference Data From Materials Project: {formula:YbCa2F7,spaceGroup:P1,id:mp-677126} |
| RD_547264457365_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:P-1,id:mp-4429} |
| RD_547463730179_000 | computation | Reference Data From Materials Project: {formula:Ca2Ti6N2O11,spaceGroup:Cm,id:mp-776608} |
| RD_547766995785_000 | computation | Reference Data From Materials Project: {formula:Ca3Hf2Fe2SiO12,spaceGroup:I4_1/acd,id:mp-743575} |
| RD_548292548344_000 | computation | Reference Data From Materials Project: {formula:CaFeF5,spaceGroup:P2_1/c,id:mp-557182} |
| RD_548685022320_000 | computation | Reference Data From Materials Project: {formula:CaV2P2O9,spaceGroup:Pmcn,id:mp-25793} |
| RD_548799587134_000 | computation | Reference Data From Materials Project: {formula:Ca3TiBe2Si2(As3O10)2,spaceGroup:P-3c1,id:mp-558370} |
| RD_549247991946_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:I4/mmm,id:mp-4853} |
| RD_549354165044_000 | computation | Reference Data From Materials Project: {formula:Ca2La8Ti5Cr5O30,spaceGroup:P-1,id:mp-743953} |
| RD_549756323115_000 | computation | Reference Data From Materials Project: {formula:Ca(GaS2)2,spaceGroup:Fddd,id:mp-14423} |
| RD_550265918792_000 | computation | Reference Data From Materials Project: {formula:Ca(CeS2)2,spaceGroup:I-42d,id:mp-33560} |
| RD_550363123425_000 | computation | Reference Data From Materials Project: {formula:Na2CaPO4F,spaceGroup:Cm,id:mp-39260} |
| RD_550665012347_000 | computation | Reference Data From Materials Project: {formula:CaHg2,spaceGroup:P6/mmm,id:mp-11287} |
| RD_550958444569_000 | computation | Reference Data From Materials Project: {formula:CaCuAs,spaceGroup:P6_3/mmc,id:mp-4120} |
| RD_551152322536_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:R-3m,id:mp-866951} |
| RD_551259476775_000 | computation | Reference Data From Materials Project: {formula:Ca5MnSi9(Pb3O11)3,spaceGroup:P-6,id:mp-651786} |
| RD_551788871807_000 | computation | Reference Data From Materials Project: {formula:Ca3ZrSi2O9,spaceGroup:P2_1/c,id:mp-15004} |
| RD_552547757071_000 | computation | Reference Data From Materials Project: {formula:CaCO3,spaceGroup:R-3c,id:mp-3953} |
| RD_552685381040_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:Cm,id:mp-568752} |
| RD_552790768702_000 | computation | Reference Data From Materials Project: {formula:Ca4Mg4Fe3H22,spaceGroup:P-43m,id:mp-644264} |
| RD_552807918362_000 | computation | Reference Data From Materials Project: {formula:CaSnRh2,spaceGroup:Fm-3m,id:mp-861935} |
| RD_552840763226_000 | computation | Reference Data From Materials Project: {formula:Ca2SiO4,spaceGroup:P2_1/c,id:mp-674334} |
| RD_553480743244_000 | computation | Reference Data From Materials Project: {formula:Ca6FeN5,spaceGroup:P6_3/mcm,id:mp-16916} |
| RD_553772081951_000 | computation | Reference Data From Materials Project: {formula:CaTaAlO5,spaceGroup:P2_1/c,id:mp-561473} |
| RD_553875896662_000 | computation | Reference Data From Materials Project: {formula:CaAl9Ni,spaceGroup:P6_3/mmc,id:mp-3479} |
| RD_554057165304_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:Pc,id:mp-626225} |
| RD_554906816993_000 | computation | CaZn in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_555207801160_000 | computation | Reference Data From Materials Project: {formula:Ca3(InNi2)4,spaceGroup:P6_3mc,id:mp-21677} |
| RD_555308774626_000 | computation | Reference Data From Materials Project: {formula:CaAg2Sn,spaceGroup:Fm-3m,id:mp-865729} |
| RD_555534327190_000 | computation | Reference Data From Materials Project: {formula:KCaNd(PO4)2,spaceGroup:P6_4,id:mp-676934} |
| RD_556010960524_000 | computation | Reference Data From Materials Project: {formula:CaAlH5,spaceGroup:P2_12_12_1,id:mp-583071} |
| RD_556423300837_000 | computation | CaMg in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_556869268559_000 | computation | Reference Data From Materials Project: {formula:CaFeClO2,spaceGroup:P1,id:mp-611630} |
| RD_557243264116_000 | computation | Reference Data From Materials Project: {formula:CaMoO3,spaceGroup:Pbnm,id:mp-19012} |
| RD_557252471241_000 | computation | CaSi in AFLOW crystal prototype AB2_tI12_141_a_e. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_557253703788_000 | computation | Reference Data From Materials Project: {formula:Ca9In(PO4)7,spaceGroup:R3c,id:mp-555661} |
| RD_558066510133_000 | computation | Reference Data From Materials Project: {formula:Ca(BH4)2,spaceGroup:Pcab,id:mp-570194} |
| RD_558870802452_000 | computation | Reference Data From Materials Project: {formula:Ca5As3,spaceGroup:P6_3/mcm,id:mp-10047} |
| RD_558951013272_000 | computation | Reference Data From Materials Project: {formula:Ca2Ge,spaceGroup:Pmnb,id:mp-304} |
| RD_559533776223_000 | computation | Reference Data From Materials Project: {formula:CaPbI4,spaceGroup:P2_1/c,id:mp-756313} |
| RD_559653886473_000 | computation | Reference Data From Materials Project: {formula:Ca2BN2Cl,spaceGroup:Pmcn,id:mp-23632} |
| RD_559828823408_000 | computation | Reference Data From Materials Project: {formula:CaSe2O5,spaceGroup:Pcab,id:mp-27845} |
| RD_560071578106_000 | computation | Reference Data From Materials Project: {formula:Ca(SiPd)2,spaceGroup:I4/mmm,id:mp-567769} |
| RD_560312283256_000 | computation | Reference Data From Materials Project: {formula:Ca3PN,spaceGroup:Pm-3m,id:mp-11824} |
| RD_560557656786_000 | computation | CaCd in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_560653881510_000 | computation | Reference Data From Materials Project: {formula:Ca5P3ClO12,spaceGroup:P6_3/m,id:mp-554236} |
| RD_561205969571_000 | computation | Reference Data From Materials Project: {formula:Ca2As2O7,spaceGroup:C2/m,id:mp-6929} |
| RD_561852498774_000 | computation | Reference Data From Materials Project: {formula:CaNbO3,spaceGroup:Pbnm,id:mp-4957} |
| RD_562370842468_000 | computation | CaH in AFLOW crystal prototype AB2_hP6_194_c_ad. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_562499687924_000 | computation | Reference Data From Materials Project: {formula:CaMgSiO4,spaceGroup:Pcmn,id:mp-649595} |
| RD_562547396359_000 | computation | Reference Data From Materials Project: {formula:CaH2,spaceGroup:P6_3/mmc,id:mp-24809} |
| RD_562585637623_000 | computation | Reference Data From Materials Project: {formula:SrCaSn,spaceGroup:F-43m,id:mp-962065} |
| RD_563188914200_000 | computation | Reference Data From Materials Project: {formula:CaBiO3,spaceGroup:R-3,id:mp-867749} |
| RD_563466667460_000 | computation | Reference Data From Materials Project: {formula:Li2CaHfF8,spaceGroup:I-4,id:mp-16577} |
| RD_563505203113_000 | computation | Reference Data From Materials Project: {formula:Sr2CaWO6,spaceGroup:Fm-3m,id:mp-18981} |
| RD_564301624333_000 | computation | Reference Data From Materials Project: {formula:CaIrO3,spaceGroup:Cmcm,id:mp-20198} |
| RD_564375786170_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_564453985231_000 | computation | Reference Data From Materials Project: {formula:Ca5Ni15B4,spaceGroup:P6_3/mmc,id:mp-28170} |
| RD_564498268531_000 | computation | Reference Data From Materials Project: {formula:Ca3Mn2(GeO4)3,spaceGroup:I4_1/a,id:mp-744259} |
| RD_564653309044_000 | computation | Reference Data From Materials Project: {formula:CaYRh2,spaceGroup:Fm-3m,id:mp-865002} |
| RD_564834410984_000 | computation | Reference Data From Materials Project: {formula:CaSiNi2,spaceGroup:P6_3/mmc,id:mp-10797} |
| RD_564896886638_000 | computation | Reference Data From Materials Project: {formula:Ca2V2O7,spaceGroup:P-1,id:mp-32434} |
| RD_565574856602_000 | computation | Reference Data From Materials Project: {formula:K2Ca2(SO4)3,spaceGroup:P2_13,id:mp-15599} |
| RD_566356919495_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:Pcmn,id:mp-866503} |
| RD_567326558779_000 | computation | Reference Data From Materials Project: {formula:Ca2TlCd,spaceGroup:Fm-3m,id:mp-867849} |
| RD_567630583168_000 | computation | Reference Data From Materials Project: {formula:KCa(H2N)3,spaceGroup:P2_1/c,id:mp-720856} |
| RD_567677618399_000 | computation | Reference Data From Materials Project: {formula:Ca(MnAs)2,spaceGroup:P-3m1,id:mp-5498} |
| RD_567767437712_000 | computation | Reference Data From Materials Project: {formula:CaErRh2,spaceGroup:Fm-3m,id:mp-865169} |
| RD_567781814454_000 | computation | Reference Data From Materials Project: {formula:Ca5Au3,spaceGroup:I4/mcm,id:mp-30368} |
| RD_568194805905_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:C2/c,id:mp-756500} |
| RD_568415423615_000 | computation | CaSi in AFLOW crystal prototype AB_oC8_63_c_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_569046067671_000 | computation | Reference Data From Materials Project: {formula:CaPd5,spaceGroup:P6/mmm,id:mp-11826} |
| RD_569049385127_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:P2_1/c,id:mp-771643} |
| RD_569913026417_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:C2mm,id:mp-866894} |
| RD_570155004216_000 | computation | Reference Data From Materials Project: {formula:Ca(BO2)2,spaceGroup:Pnaa,id:mp-8056} |
| RD_570845672884_000 | computation | Reference Data From Materials Project: {formula:Ca3TiBe2Si2(As3O10)2,spaceGroup:P-3c1,id:mp-558370} |
| RD_570895076705_000 | computation | Reference Data From Materials Project: {formula:Ca9La5Br33,spaceGroup:P-1,id:mp-782009} |
| RD_571187546051_000 | computation | Reference Data From Materials Project: {formula:CaMgNi4,spaceGroup:F-43m,id:mp-13434} |
| RD_571403484137_000 | computation | Reference Data From Materials Project: {formula:CaSiPt,spaceGroup:P2_13,id:mp-4478} |
| RD_572075132046_000 | computation | Reference Data From Materials Project: {formula:CaCeC2O6F,spaceGroup:C2/c,id:mp-662583} |
| RD_572625816467_000 | computation | Reference Data From Materials Project: {formula:CaAlSiHO5,spaceGroup:P2_12_12_1,id:mp-24402} |
| RD_572673554017_000 | computation | Reference Data From Materials Project: {formula:Na2Ca(SO4)2,spaceGroup:C2/c,id:mp-6397} |
| RD_572842308164_000 | computation | Reference Data From Materials Project: {formula:CaTe,spaceGroup:Pm-3m,id:mp-10684} |
| RD_572938354957_000 | computation | Reference Data From Materials Project: {formula:Ca2Ti6N2O11,spaceGroup:Cm,id:mp-755206} |
| RD_572954405110_000 | computation | Reference Data From Materials Project: {formula:LiCa2Ir,spaceGroup:Fm-3m,id:mp-867222} |
| RD_573008019171_000 | computation | Reference Data From Materials Project: {formula:Ca2AgSn,spaceGroup:Fm-3m,id:mp-867751} |
| RD_575005028388_000 | computation | Reference Data From Materials Project: {formula:CaGa2Cu3(SbO6)2,spaceGroup:Pn3,id:mp-41331} |
| RD_575404623092_000 | computation | Reference Data From Materials Project: {formula:SrCaI4,spaceGroup:P2_1/c,id:mp-850279} |
| RD_575518660040_000 | computation | Reference Data From Materials Project: {formula:K3CaPCO7,spaceGroup:P2_1/m,id:mp-756968} |
| RD_575595781133_000 | computation | Reference Data From Materials Project: {formula:NaCa8SmTi10(SiO5)10,spaceGroup:P1,id:mp-705853} |
| RD_575979157338_000 | computation | Reference Data From Materials Project: {formula:Ca2Al11Si13Ag7O48,spaceGroup:P1,id:mp-706809} |
| RD_576414089960_000 | computation | Reference Data From Materials Project: {formula:BaCa(CO3)2,spaceGroup:P321,id:mp-556458} |
| RD_576640813937_000 | computation | Reference Data From Materials Project: {formula:KCaF3,spaceGroup:P2_1/m,id:mp-643749} |
| RD_576677024645_000 | computation | Reference Data From Materials Project: {formula:Ca3Al2O6,spaceGroup:Pm-3m,id:mp-640266} |
| RD_576807855707_000 | computation | Reference Data From Materials Project: {formula:CaMg2N2,spaceGroup:P-3m1,id:mp-5795} |
| RD_576939583442_000 | computation | Reference Data From Materials Project: {formula:LiCaGaF6,spaceGroup:P-31c,id:mp-12829} |
| RD_577089295446_000 | computation | Reference Data From Materials Project: {formula:NaCa2V3Zn2O12,spaceGroup:I4_1/acd,id:mp-706235} |
| RD_577610904717_000 | computation | Reference Data From Materials Project: {formula:Ca6Al6Si3(HO12)2,spaceGroup:P1,id:mp-677618} |
| RD_577659506695_000 | computation | Reference Data From Materials Project: {formula:Ca2MgIn,spaceGroup:Fm-3m,id:mp-867350} |
| RD_577718361244_000 | computation | Reference Data From Materials Project: {formula:Ca,spaceGroup:Im-3m,id:mp-21} |
| RD_578022249313_000 | computation | Reference Data From Materials Project: {formula:CaLa2B10O19,spaceGroup:C2,id:mp-560622} |
| RD_578350362412_000 | computation | Reference Data From Materials Project: {formula:Ca7Sn3S13,spaceGroup:Pbnm,id:mp-866870} |
| RD_578494660472_000 | computation | Reference Data From Materials Project: {formula:Ca5P12Rh19,spaceGroup:P-62m,id:mp-10582} |
| RD_578534776490_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P2_1/c,id:mp-753716} |
| RD_579060880429_000 | computation | Reference Data From Materials Project: {formula:Ca3PI3,spaceGroup:I4_132,id:mp-27272} |
| RD_579350135737_000 | computation | Reference Data From Materials Project: {formula:CaAsH5O6,spaceGroup:Cc,id:mp-754855} |
| RD_579560673451_000 | computation | CaZn in AFLOW crystal prototype AB13_cF112_226_a_bi (NaZn13). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_580381262074_000 | computation | Reference Data From Materials Project: {formula:Ca9LaMn10O30,spaceGroup:P1,id:mp-706340} |
| RD_580690983250_000 | computation | Reference Data From Materials Project: {formula:Ca(PRh)2,spaceGroup:I4/mmm,id:mp-8580} |
| RD_580934695731_000 | computation | Reference Data From Materials Project: {formula:CaS,spaceGroup:Fm-3m,id:mp-1672} |
| RD_581431574384_000 | computation | Reference Data From Materials Project: {formula:KCa12Si4S2O26F,spaceGroup:R-3m,id:mp-557227} |
| RD_581849077949_000 | computation | Reference Data From Materials Project: {formula:Ca3(GaN2)2,spaceGroup:C2/c,id:mp-571162} |
| RD_582261961007_000 | computation | Reference Data From Materials Project: {formula:CaB2Rh3,spaceGroup:P6/mmm,id:mp-28705} |
| RD_583009229251_000 | computation | Reference Data From Materials Project: {formula:CaMgAsO4F,spaceGroup:Cc,id:mp-558016} |
| RD_584367357489_000 | computation | CaO in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_585233314007_000 | computation | Reference Data From Materials Project: {formula:Ca5NbN5,spaceGroup:Cm,id:mp-675101} |
| RD_585315087307_000 | computation | Reference Data From Materials Project: {formula:Na3Ca2Fe5(SiO3)10,spaceGroup:P1,id:mp-735984} |
| RD_585604713654_000 | computation | Reference Data From Materials Project: {formula:CaZr4O9,spaceGroup:C2/m,id:mp-675372} |
| RD_585725966522_000 | computation | Reference Data From Materials Project: {formula:Ca5(SnAs3)2,spaceGroup:Pmcb,id:mp-18670} |
| RD_586486274518_000 | computation | Reference Data From Materials Project: {formula:Ca14AlSb11,spaceGroup:I4_1/acd,id:mp-567799} |
| RD_586561764444_000 | computation | Reference Data From Materials Project: {formula:CaB5H3O10,spaceGroup:P2_1/c,id:mp-757666} |
| RD_586909314262_000 | computation | Reference Data From Materials Project: {formula:CaMg2(SO4)3,spaceGroup:P6_3/m,id:mp-554094} |
| RD_587012483068_000 | computation | Reference Data From Materials Project: {formula:Ca(CdP)2,spaceGroup:P-3m1,id:mp-9570} |
| RD_588287959871_000 | computation | Reference Data From Materials Project: {formula:Ca2MgSi2O7,spaceGroup:P-42_1m,id:mp-677780} |
| RD_588542775474_000 | computation | Reference Data From Materials Project: {formula:CaAlB3O7,spaceGroup:Cmme,id:mp-556532} |
| RD_588772194622_000 | computation | Reference Data From Materials Project: {formula:Na2CaPb3(CO3)5,spaceGroup:Cc,id:mp-697211} |
| RD_588791917338_000 | computation | Reference Data From Materials Project: {formula:Ca3La7Ti5Cr5O30,spaceGroup:Pm,id:mp-744126} |
| RD_589245929398_000 | computation | Reference Data From Materials Project: {formula:Ca2MgTl,spaceGroup:Fm-3m,id:mp-861645} |
| RD_589331698607_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:P1,id:mp-626552} |
| RD_589650856913_000 | computation | Reference Data From Materials Project: {formula:Ca10Mg2Sb9,spaceGroup:P4_2/mnm,id:mp-569202} |
| RD_589719025155_000 | computation | Reference Data From Materials Project: {formula:KCaBi,spaceGroup:P4/nmm,id:mp-773137} |
| RD_590229477554_000 | computation | Reference Data From Materials Project: {formula:CaPt3O4,spaceGroup:Pm-3n,id:mp-755647} |
| RD_590236046596_000 | computation | Reference Data From Materials Project: {formula:Ba6Ca6Tl5Cu9O29,spaceGroup:P4/mmm,id:mp-680433} |
| RD_590391697787_000 | computation | Reference Data From Materials Project: {formula:Ca3WCl2O5,spaceGroup:Pmcn,id:mp-565908} |
| RD_590593765002_000 | computation | Reference Data From Materials Project: {formula:Ca2FeReO6,spaceGroup:P2_1/c,id:mp-31763} |
| RD_590814501169_000 | computation | Reference Data From Materials Project: {formula:Ca2PdWO6,spaceGroup:Fm-3m,id:mp-19159} |
| RD_590968732719_000 | computation | Reference Data From Materials Project: {formula:NaCa2SiO4F,spaceGroup:P1,id:mp-684821} |
| RD_591076761391_000 | computation | Reference Data From Materials Project: {formula:Ca11AlSi3ClO18,spaceGroup:Fmm2,id:mp-677078} |
| RD_591740678149_000 | computation | Reference Data From Materials Project: {formula:Ca3Er3Ge2BO13,spaceGroup:Pnn2,id:mp-41109} |
| RD_592392939556_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:Pmnb,id:mp-866936} |
| RD_592506032739_000 | computation | Reference Data From Materials Project: {formula:Ca2IN,spaceGroup:P6_3/mmc,id:mp-28553} |
| RD_593167192679_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:Pcmn,id:mp-866474} |
| RD_593173028976_000 | computation | Reference Data From Materials Project: {formula:Ba14Na8CaN6,spaceGroup:P6_3/m,id:mp-777942} |
| RD_593193601848_000 | computation | Reference Data From Materials Project: {formula:Ca20Er10F69,spaceGroup:P-1,id:mp-532089} |
| RD_593230175216_000 | computation | Reference Data From Materials Project: {formula:Sr2CaTlCu2O7,spaceGroup:P4/mmm,id:mp-20824} |
| RD_593316107139_000 | computation | Reference Data From Materials Project: {formula:Ca6TiAl5Si6(O5F)5,spaceGroup:P1,id:mp-695616} |
| RD_593488376455_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P2_1/c,id:mp-766343} |
| RD_593574348512_000 | computation | Reference Data From Materials Project: {formula:CaBr2,spaceGroup:P4_2/mnm,id:mp-571166} |
| RD_594103670925_000 | computation | Reference Data From Materials Project: {formula:Ca10Ti8NbFeO30,spaceGroup:P-1,id:mp-743819} |
| RD_594194130268_000 | computation | CaCd in AFLOW crystal prototype AB2_oI12_74_e_h (KHg2/CeCu2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_594470129659_000 | computation | Reference Data From Materials Project: {formula:CaPuRh2,spaceGroup:Fm-3m,id:mp-864998} |
| RD_594962523995_000 | computation | Reference Data From Materials Project: {formula:Ca3(PO4)2,spaceGroup:R3,id:mp-686015} |
| RD_595301379326_000 | computation | Reference Data From Materials Project: {formula:Ca12Al14O33,spaceGroup:I-4,id:mp-530149} |
| RD_595447397842_000 | computation | Reference Data From Materials Project: {formula:CaLaTiCrO6,spaceGroup:Pc,id:mp-39159} |
| RD_596062081976_000 | computation | Reference Data From Materials Project: {formula:KLi3Ca7Ti2Si12(O18F)2,spaceGroup:C2/c,id:mp-641919} |
| RD_596330240955_000 | computation | Reference Data From Materials Project: {formula:CaCd,spaceGroup:Pm-3m,id:mp-1073} |
| RD_597012591460_000 | computation | Reference Data From Materials Project: {formula:KCaCrH10C6O17,spaceGroup:P2_1/c,id:mp-735489} |
| RD_597789732210_000 | computation | Reference Data From Materials Project: {formula:LiCaCrF6,spaceGroup:P-31c,id:mp-565468} |
| RD_598066288423_000 | computation | Reference Data From Materials Project: {formula:Ba3CaIr2O9,spaceGroup:C2/c,id:mp-17448} |
| RD_598157422482_000 | computation | Reference Data From Materials Project: {formula:Ca4Al51Cr7,spaceGroup:P-3m1,id:mp-30174} |
| RD_598570566711_000 | computation | Reference Data From Materials Project: {formula:CaCrO4,spaceGroup:I4_1/amd,id:mp-19215} |
| RD_598594937374_000 | computation | Reference Data From Materials Project: {formula:Ca2Ga2Bi(B2O7)2,spaceGroup:C2,id:mp-695449} |
| RD_598857056107_000 | computation | Reference Data From Materials Project: {formula:Na2CaTi2(GeO4)3,spaceGroup:I4_1/acd,id:mp-695511} |
| RD_599387218504_000 | computation | Reference Data From Materials Project: {formula:CaInRh,spaceGroup:Pmnb,id:mp-20220} |
| RD_599535119986_000 | computation | Reference Data From Materials Project: {formula:Li2Ca2Ta3O10,spaceGroup:I4/mmm,id:mp-15902} |
| RD_599734639141_000 | computation | Reference Data From Materials Project: {formula:CaEr15Si8Se11ClO28,spaceGroup:Cm,id:mp-720985} |
| RD_600311328311_000 | computation | Reference Data From Materials Project: {formula:Ca2BiAu,spaceGroup:Fm-3m,id:mp-867799} |
| RD_600444001658_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:C2/c,id:mp-753709} |
| RD_600576480500_000 | computation | Reference Data From Materials Project: {formula:Ca2As4Xe5F34,spaceGroup:P2_1/c,id:mp-581887} |
| RD_601224569527_000 | computation | Reference Data From Materials Project: {formula:LiCaRh,spaceGroup:F-43m,id:mp-961723} |
| RD_601291830140_000 | computation | Reference Data From Materials Project: {formula:Ca5P3HO13,spaceGroup:P6_3,id:mp-41472} |
| RD_601389608098_000 | computation | Reference Data From Materials Project: {formula:Ca2SnHg,spaceGroup:Fm-3m,id:mp-866229} |
| RD_601470643896_000 | computation | Reference Data From Materials Project: {formula:Ca2InPt2,spaceGroup:C2/c,id:mp-21885} |
| RD_601495893937_000 | computation | CaSi in AFLOW crystal prototype A2B_oP12_62_2c_c (metal-oxide; O2Zr1, ICSD #56696). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_601982322478_000 | computation | Reference Data From Materials Project: {formula:CaFe3Si2HO9,spaceGroup:P2_1/c,id:mp-721924} |
| RD_602125740257_000 | computation | Reference Data From Materials Project: {formula:Eu2CaO3,spaceGroup:C2/c,id:mp-756244} |
| RD_602720698046_000 | computation | Reference Data From Materials Project: {formula:CaNi5,spaceGroup:P6/mmm,id:mp-774} |
| RD_603050006383_000 | computation | Reference Data From Materials Project: {formula:CaGd4O7,spaceGroup:P-1,id:mp-758332} |
| RD_603649474467_000 | computation | Reference Data From Materials Project: {formula:Ca3Zn3(TeO6)2,spaceGroup:I4_132,id:mp-555961} |
| RD_604487251447_000 | computation | Reference Data From Materials Project: {formula:CaCuSb,spaceGroup:P6_3/mmc,id:mp-5910} |
| RD_604735017692_000 | computation | Reference Data From Materials Project: {formula:CaTl3,spaceGroup:Pm-3m,id:mp-526} |
| RD_605113549542_000 | computation | Reference Data From Materials Project: {formula:Ca2AgPb,spaceGroup:Fm-3m,id:mp-864991} |
| RD_605542762260_000 | computation | Reference Data From Materials Project: {formula:Na3Ca2TaO6,spaceGroup:Fddd,id:mp-18480} |
| RD_605973683428_000 | computation | Reference Data From Materials Project: {formula:Ca2B5H2ClO10,spaceGroup:P1,id:mp-721300} |
| RD_606415011117_000 | computation | Reference Data From Materials Project: {formula:BaCaSiO4,spaceGroup:P6_3mc,id:mp-561050} |
| RD_606593147603_000 | computation | Reference Data From Materials Project: {formula:Na6CaZr(SiO3)6,spaceGroup:R3c,id:mp-695056} |
| RD_606725441605_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:P1,id:mp-626562} |
| RD_606990699220_000 | computation | Reference Data From Materials Project: {formula:NaCaBeSi2O6F,spaceGroup:P2_12_12_1,id:mp-560721} |
| RD_607384124707_000 | computation | Reference Data From Materials Project: {formula:Ca(AgGe)2,spaceGroup:I4/mmm,id:mp-7878} |
| RD_607797618823_000 | computation | Reference Data From Materials Project: {formula:CaMn7O12,spaceGroup:Im3,id:mp-541644} |
| RD_608827408912_000 | computation | Reference Data From Materials Project: {formula:CaMnBi2,spaceGroup:P4/nmm,id:mp-611153} |
| RD_609310322616_000 | computation | Reference Data From Materials Project: {formula:Li2Ca,spaceGroup:Fd-3m,id:mp-11644} |
| RD_609529796810_000 | computation | Reference Data From Materials Project: {formula:CaHCl,spaceGroup:P4/nmm,id:mp-23859} |
| RD_609989973655_000 | computation | Reference Data From Materials Project: {formula:Na4CaSn6,spaceGroup:P6_3/mmc,id:mp-568234} |
| RD_610322410317_000 | computation | Reference Data From Materials Project: {formula:Ca5Ta4O15,spaceGroup:P-3m1,id:mp-769280} |
| RD_610756145382_000 | computation | Reference Data From Materials Project: {formula:Ca(GaO2)2,spaceGroup:P2_1/c,id:mp-7367} |
| RD_610797234976_000 | computation | Reference Data From Materials Project: {formula:CaRhF6,spaceGroup:R-3,id:mp-9928} |
| RD_610969117908_000 | computation | Reference Data From Materials Project: {formula:Ca3Al4Si8(ClO12)2,spaceGroup:P1,id:mp-677067} |
| RD_610994317675_000 | computation | Reference Data From Materials Project: {formula:CaAl4,spaceGroup:I4/mmm,id:mp-1749} |
| RD_611072807664_000 | computation | Reference Data From Materials Project: {formula:CaV2CoO7,spaceGroup:P2_1/c,id:mp-19632} |
| RD_611126556558_000 | computation | Reference Data From Materials Project: {formula:CaAu2,spaceGroup:Imcm,id:mp-443} |
| RD_612176676564_000 | computation | Reference Data From Materials Project: {formula:CaSb2,spaceGroup:P2_1/m,id:mp-7493} |
| RD_612188251486_000 | computation | CaZn in AFLOW crystal prototype AB_oC8_63_c_c (CrB). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_612210776289_000 | computation | Reference Data From Materials Project: {formula:Li2Ca,spaceGroup:P6_3/mmc,id:mp-570466} |
| RD_612607984680_000 | computation | Reference Data From Materials Project: {formula:Ca3(InNi2)4,spaceGroup:P6_3mc,id:mp-21677} |
| RD_612681153461_000 | computation | Reference Data From Materials Project: {formula:Ca5MnPb3,spaceGroup:P6_3/mcm,id:mp-680842} |
| RD_612709644583_000 | computation | Reference Data From Materials Project: {formula:Ca3N2,spaceGroup:P-3m1,id:mp-13147} |
| RD_612737926383_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:P2_1/c,id:mp-766349} |
| RD_612967574066_000 | computation | Reference Data From Materials Project: {formula:Ca3WO6,spaceGroup:R-3,id:mp-781505} |
| RD_613182901775_000 | computation | Reference Data From Materials Project: {formula:Ba3CaIr2O9,spaceGroup:P-3m1,id:mp-13369} |
| RD_613673187871_000 | computation | Reference Data From Materials Project: {formula:Ca2Al2SiO7,spaceGroup:P2_12_12_1,id:mp-677549} |
| RD_613939969347_000 | computation | Reference Data From Materials Project: {formula:LiCaTa2O6F,spaceGroup:Imma,id:mp-39511} |
| RD_615308029438_000 | computation | Reference Data From Materials Project: {formula:CaMnP2O7,spaceGroup:P-1,id:mp-18743} |
| RD_615484464644_000 | computation | Reference Data From Materials Project: {formula:Ca(LaI4)2,spaceGroup:C2/c,id:mp-755678} |
| RD_616063524808_000 | computation | Reference Data From Materials Project: {formula:Ca3(SiAs2)2,spaceGroup:P2_1/c,id:mp-540696} |
| RD_617143271358_000 | computation | Reference Data From Materials Project: {formula:Na9CaTa9TiO30,spaceGroup:Pm,id:mp-693144} |
| RD_617351519144_000 | computation | Reference Data From Materials Project: {formula:Ca2BHN2,spaceGroup:Pmnb,id:mp-24266} |
| RD_617698634605_000 | computation | Reference Data From Materials Project: {formula:CaSiPt,spaceGroup:P2_1/c,id:mp-8982} |
| RD_618195341623_000 | computation | Reference Data From Materials Project: {formula:Ca2Co12P7,spaceGroup:P-6,id:mp-10923} |
| RD_618259981528_000 | computation | Ca in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_618336836229_000 | computation | Reference Data From Materials Project: {formula:CaGaAu,spaceGroup:Pmnb,id:mp-11811} |
| RD_618765415274_000 | computation | Reference Data From Materials Project: {formula:RbCa2Ta3O10,spaceGroup:P4/mmm,id:mp-6680} |
| RD_619265702885_000 | computation | Reference Data From Materials Project: {formula:Ca4Nb2O9,spaceGroup:P1,id:mp-530194} |
| RD_619481508822_000 | computation | Reference Data From Materials Project: {formula:CaTiSiO5,spaceGroup:P2_1/c,id:mp-704836} |
| RD_620037091557_000 | computation | Reference Data From Materials Project: {formula:Ca2InN,spaceGroup:Ccmm,id:mp-510086} |
| RD_620125871133_000 | computation | Reference Data From Materials Project: {formula:CaBi2(CO4)2,spaceGroup:Immm,id:mp-556411} |
| RD_620595462090_000 | computation | Reference Data From Materials Project: {formula:Li2CaSn,spaceGroup:Fm-3m,id:mp-865964} |
| RD_620959519621_000 | computation | Reference Data From Materials Project: {formula:LiCa3Zr3TaO12,spaceGroup:P2_1,id:mp-677136} |
| RD_621231043939_000 | computation | Reference Data From Materials Project: {formula:Ca(GeRh)2,spaceGroup:I4/mmm,id:mp-16261} |
| RD_621264478713_000 | computation | Reference Data From Materials Project: {formula:CaSb10(S3O5)2,spaceGroup:C2/c,id:mp-504882} |
| RD_621370833172_000 | computation | Reference Data From Materials Project: {formula:CaLaMnRuO6,spaceGroup:Pc,id:mp-690556} |
| RD_621411118417_000 | computation | Reference Data From Materials Project: {formula:Ca5Sb3,spaceGroup:P6_3/mcm,id:mp-12467} |
| RD_622283961510_000 | computation | Reference Data From Materials Project: {formula:BaCaSn3,spaceGroup:Cmce,id:mp-583645} |
| RD_623210698882_000 | computation | Reference Data From Materials Project: {formula:Ca5Pb3,spaceGroup:P6_3mc,id:mp-574272} |
| RD_623357367881_000 | computation | Reference Data From Materials Project: {formula:Ca4Si6Pb6Cl2O21,spaceGroup:P6_3/m,id:mp-558268} |
| RD_623684957474_000 | computation | Reference Data From Materials Project: {formula:Ca3Cr3(PO4)4,spaceGroup:P-1,id:mp-566617} |
| RD_625119208675_000 | computation | Reference Data From Materials Project: {formula:Ba4Na2CaTi3Si4(SO13)2,spaceGroup:P1,id:mp-561052} |
| RD_626121699072_000 | computation | Reference Data From Materials Project: {formula:BaCa(GaO2)4,spaceGroup:I2mm,id:mp-561446} |
| RD_626611364520_000 | computation | Reference Data From Materials Project: {formula:CaMgHg2,spaceGroup:Fm-3m,id:mp-867144} |
| RD_627161460067_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6WO16,spaceGroup:I-43m,id:mp-19145} |
| RD_628050419947_000 | computation | Reference Data From Materials Project: {formula:CaZnGe,spaceGroup:P6_3/mmc,id:mp-16263} |
| RD_628083723790_000 | computation | Reference Data From Materials Project: {formula:CsCa(NO2)3,spaceGroup:R3,id:mp-757826} |
| RD_628636023585_000 | computation | Reference Data From Materials Project: {formula:CaMoO3,spaceGroup:P2_1/c,id:mp-607467} |
| RD_628974750872_000 | computation | Reference Data From Materials Project: {formula:Na27Ca3Al5(P2O7)12,spaceGroup:P1,id:mp-677638} |
| RD_629000040520_000 | computation | Reference Data From Materials Project: {formula:Ca11YAl15Cr4SiO48,spaceGroup:C2,id:mp-743917} |
| RD_629008599642_000 | computation | Reference Data From Materials Project: {formula:Ca5Ag3,spaceGroup:I4/mcm,id:mp-31172} |
| RD_629020952412_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_629369040281_000 | computation | Reference Data From Materials Project: {formula:CaMnO3,spaceGroup:Pbnm,id:mp-19201} |
| RD_629843422383_000 | computation | Reference Data From Materials Project: {formula:BaCa(FeO2)4,spaceGroup:P-31m,id:mp-18950} |
| RD_629862718090_000 | computation | Reference Data From Materials Project: {formula:CaPd5,spaceGroup:P6/mmm,id:mp-11826} |
| RD_630212380353_000 | computation | Reference Data From Materials Project: {formula:CaMn7O12,spaceGroup:Im3,id:mp-541644} |
| RD_630509913451_000 | computation | Reference Data From Materials Project: {formula:Ca2Al2FeSi4BHO16,spaceGroup:P-1,id:mp-540713} |
| RD_631146960889_000 | computation | Reference Data From Materials Project: {formula:CaSiPt,spaceGroup:Pmnb,id:mp-8983} |
| RD_631658316956_000 | computation | Reference Data From Materials Project: {formula:CaSnF6,spaceGroup:Fm-3m,id:mp-8224} |
| RD_632229045430_000 | computation | Reference Data From Materials Project: {formula:Ca(ZnAs)2,spaceGroup:P-3m1,id:mp-9571} |
| RD_632460655211_000 | computation | Reference Data From Materials Project: {formula:Ca5Ta4O15,spaceGroup:P-3c1,id:mp-769610} |
| RD_632477183010_000 | computation | Reference Data From Materials Project: {formula:CaAl2O4,spaceGroup:P2_1/c,id:mp-14600} |
| RD_632907683204_000 | computation | Reference Data From Materials Project: {formula:Ca(MnSb)2,spaceGroup:P-3m1,id:mp-4150} |
| RD_633109025303_000 | computation | Reference Data From Materials Project: {formula:CaHg,spaceGroup:Pm-3m,id:mp-11286} |
| RD_633853245724_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:P1,id:mp-867022} |
| RD_634427295993_000 | experiment | Experimental data collected from reference material at the University of Minnesota. Internal Reference: Inorganic Crystal Structure Database; Temp reported as Room Temp; Pressure assumed to be standard; |
| RD_634565296283_000 | computation | Reference Data From Materials Project: {formula:Na5Ca4P4O16F,spaceGroup:I-4,id:mp-556228} |
| RD_634591212722_000 | computation | Reference Data From Materials Project: {formula:Ca2Zr(SiO3)4,spaceGroup:P2_1/m,id:mp-560339} |
| RD_634608737739_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:Pm-3m,id:mp-866816} |
| RD_634828074285_000 | computation | Reference Data From Materials Project: {formula:Ca9PrF20,spaceGroup:P-1,id:mp-531110} |
| RD_634857482723_000 | computation | Reference Data From Materials Project: {formula:Ca3Cr2(SiO4)3,spaceGroup:Ia-3d,id:mp-19599} |
| RD_635009697547_000 | computation | Reference Data From Materials Project: {formula:Ca5Si2CO11,spaceGroup:P2_1/c,id:mp-6796} |
| RD_635034795959_000 | computation | Reference Data From Materials Project: {formula:CaAlSi,spaceGroup:P-6m2,id:mp-567191} |
| RD_635169443824_000 | computation | Reference Data From Materials Project: {formula:Ca2FeWO6,spaceGroup:Fm-3m,id:mp-19059} |
| RD_635333309150_000 | computation | Reference Data From Materials Project: {formula:Na2CaP2O7,spaceGroup:P-1,id:mp-561260} |
| RD_635671613018_000 | computation | Reference Data From Materials Project: {formula:BaCa2(SiO3)3,spaceGroup:P-1,id:mp-18216} |
| RD_635675727088_000 | computation | Reference Data From Materials Project: {formula:Ca3(Cu2Sn)4,spaceGroup:P6_3mc,id:mp-570710} |
| RD_635709412299_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:P-1,id:mp-866629} |
| RD_636068512309_000 | computation | Reference Data From Materials Project: {formula:CaCuH4(CO2)4,spaceGroup:P2/c,id:mp-23686} |
| RD_637370527041_000 | computation | Reference Data From Materials Project: {formula:Ca8H3N4,spaceGroup:P-1,id:mp-530696} |
| RD_638031736337_000 | computation | Reference Data From Materials Project: {formula:CaSiSnO5,spaceGroup:C2/c,id:mp-6809} |
| RD_638087615070_000 | computation | Reference Data From Materials Project: {formula:CaHg3,spaceGroup:P6_3/mmc,id:mp-863648} |
| RD_638416685621_000 | computation | Reference Data From Materials Project: {formula:Ca2B6O11,spaceGroup:P2_1/c,id:mp-27657} |
| RD_639077595659_000 | computation | Reference Data From Materials Project: {formula:Ca(ScS2)2,spaceGroup:Pmnb,id:mp-17597} |
| RD_639867420302_000 | computation | Reference Data From Materials Project: {formula:Ca2TlPb,spaceGroup:Fm-3m,id:mp-861604} |
| RD_640243050380_000 | computation | Reference Data From Materials Project: {formula:CaAlAu,spaceGroup:Pmnb,id:mp-568424} |
| RD_640286365036_000 | computation | Reference Data From Materials Project: {formula:Cs5CaNi4F15,spaceGroup:P6_3/mmc,id:mp-566800} |
| RD_640290289764_000 | computation | Reference Data From Materials Project: {formula:Cs2Ca2Be3F12,spaceGroup:P2_13,id:mp-562057} |
| RD_641032029340_000 | computation | Reference Data From Materials Project: {formula:Cs2CaF4,spaceGroup:I4/mmm,id:mp-15157} |
| RD_641055332323_000 | computation | Reference Data From Materials Project: {formula:CaTiGeO5,spaceGroup:P2_1/c,id:mp-17784} |
| RD_641436316744_000 | computation | Reference Data From Materials Project: {formula:PmCaHg2,spaceGroup:Fm-3m,id:mp-862883} |
| RD_641498631667_000 | computation | Reference Data From Materials Project: {formula:CaMgSn,spaceGroup:F-43m,id:mp-962068} |
| RD_642302174703_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P321,id:mp-867953} |
| RD_642367286986_000 | computation | Reference Data From Materials Project: {formula:Ca5Ir,spaceGroup:Pbnm,id:mp-570356} |
| RD_642581967726_000 | computation | Reference Data From Materials Project: {formula:Na2Ca2Ta3O10,spaceGroup:I4/mmm,id:mp-20135} |
| RD_642788288378_000 | computation | Reference Data From Materials Project: {formula:Ca3Tl2O6,spaceGroup:Pmcb,id:mp-9216} |
| RD_643005862635_000 | computation | Reference Data From Materials Project: {formula:Ca2SiH2O5,spaceGroup:Pcab,id:mp-541431} |
| RD_643313049373_000 | computation | Reference Data From Materials Project: {formula:CaAl9Co2,spaceGroup:P6/mmm,id:mp-11350} |
| RD_643659482216_000 | computation | Reference Data From Materials Project: {formula:CaAgBi,spaceGroup:P6_3mc,id:mp-568664} |
| RD_644235378456_000 | computation | Reference Data From Materials Project: {formula:Ca2VFe4BiO12,spaceGroup:P-1,id:mp-705898} |
| RD_644375276767_000 | computation | Reference Data From Materials Project: {formula:SrCa2I6,spaceGroup:P-31m,id:mp-754517} |
| RD_644646872248_000 | computation | Reference Data From Materials Project: {formula:CaAgP,spaceGroup:F-43m,id:mp-961647} |
| RD_644743989105_000 | computation | Reference Data From Materials Project: {formula:CaPAu,spaceGroup:P6_3/mmc,id:mp-10677} |
| RD_644929184615_000 | computation | Reference Data From Materials Project: {formula:LiCa2Hg,spaceGroup:Fm-3m,id:mp-867210} |
| RD_645149858826_000 | computation | Reference Data From Materials Project: {formula:Ca2SiO4,spaceGroup:C2/c,id:mp-675299} |
| RD_645272415966_000 | computation | Reference Data From Materials Project: {formula:CaPbF6,spaceGroup:Fm-3m,id:mp-20463} |
| RD_645357947759_000 | computation | Reference Data From Materials Project: {formula:CaInBr3,spaceGroup:Cmcm,id:mp-28534} |
| RD_646107536490_000 | computation | Reference Data From Materials Project: {formula:CaGe2,spaceGroup:P6_3mc,id:mp-13286} |
| RD_646861742019_000 | computation | Reference Data From Materials Project: {formula:CaMg2H24(ClO2)6,spaceGroup:R-3,id:mp-696387} |
| RD_646936702092_000 | computation | Reference Data From Materials Project: {formula:Ca4Ta2O9,spaceGroup:P-3c1,id:mp-769307} |
| RD_647419934576_000 | computation | Reference Data From Materials Project: {formula:Ca11Ga7,spaceGroup:Fm-3m,id:mp-30474} |
| RD_647827557351_000 | computation | Reference Data From Materials Project: {formula:Ca6MnN5,spaceGroup:P6_3/mcm,id:mp-17577} |
| RD_648067371613_000 | computation | Reference Data From Materials Project: {formula:Ca19Si6S6(ClO24)2,spaceGroup:Pm,id:mp-695095} |
| RD_648136375452_000 | computation | Reference Data From Materials Project: {formula:CaAgAs,spaceGroup:P-62m,id:mp-5615} |
| RD_648904825498_000 | computation | Reference Data From Materials Project: {formula:CaZnSn,spaceGroup:P6_3mc,id:mp-31160} |
| RD_649782589342_000 | computation | Reference Data From Materials Project: {formula:CaY2O4,spaceGroup:Pnam,id:mp-770210} |
| RD_650116605869_000 | computation | Reference Data From Materials Project: {formula:CaLa9Ti5Cr5O30,spaceGroup:P1,id:mp-694926} |
| RD_650830181065_000 | computation | Reference Data From Materials Project: {formula:Ca2NF,spaceGroup:I4_1/amd,id:mp-33588} |
| RD_651203688058_000 | computation | Reference Data From Materials Project: {formula:Na5Ca2Al(PO4)4,spaceGroup:Cc,id:mp-559777} |
| RD_651259224019_000 | computation | Reference Data From Materials Project: {formula:Ca4Zn2Cu3P5,spaceGroup:P6_3/mmc,id:mp-669391} |
| RD_651698950317_000 | computation | Reference Data From Materials Project: {formula:CaV2CuO7,spaceGroup:P2/c,id:mp-566974} |
| RD_651840921383_000 | computation | Reference Data From Materials Project: {formula:CaP2(HO2)4,spaceGroup:P-1,id:mp-706585} |
| RD_652068956014_000 | computation | Reference Data From Materials Project: {formula:LiCaNiF6,spaceGroup:P-31c,id:mp-559584} |
| RD_652224167034_000 | computation | Reference Data From Materials Project: {formula:K4CaU3O12,spaceGroup:Im-3m,id:mp-16137} |
| RD_652386235643_000 | computation | Reference Data From Materials Project: {formula:Ca3AsBr3,spaceGroup:Pm-3m,id:mp-27294} |
| RD_652640984465_000 | computation | Reference Data From Materials Project: {formula:Ca3Tl,spaceGroup:Fm-3m,id:mp-30482} |
| RD_653717741736_000 | computation | Reference Data From Materials Project: {formula:Ca5P12Ir19,spaceGroup:P-62m,id:mp-18360} |
| RD_653846909990_000 | computation | Reference Data From Materials Project: {formula:CaAl2Si(HO2)4,spaceGroup:I4_1/a,id:mp-643941} |
| RD_653990686944_000 | computation | Reference Data From Materials Project: {formula:Cs5CaNi4F15,spaceGroup:P6_3/mmc,id:mp-566800} |
| RD_654177590766_000 | computation | Reference Data From Materials Project: {formula:CaP(HO3)2,spaceGroup:Cc,id:mp-644443} |
| RD_654243024550_000 | computation | Reference Data From Materials Project: {formula:Ca14MnSb11,spaceGroup:I4_1/acd,id:mp-568798} |
| RD_654270461208_000 | computation | Reference Data From Materials Project: {formula:CaH2I2O7,spaceGroup:P2_1/c,id:mp-707754} |
| RD_654426528612_000 | computation | Reference Data From Materials Project: {formula:CaSnO3,spaceGroup:Pbnm,id:mp-4438} |
| RD_654520981692_000 | computation | Reference Data From Materials Project: {formula:Li7Ca8Nb12O40,spaceGroup:P1,id:mp-773078} |
| RD_654730489642_000 | computation | Reference Data From Materials Project: {formula:Ca3Mg(SiO4)2,spaceGroup:P2_1/c,id:mp-558079} |
| RD_655260226522_000 | computation | Reference Data From Materials Project: {formula:CaTa2O6,spaceGroup:Pcmn,id:mp-18229} |
| RD_655429027028_000 | computation | Reference Data From Materials Project: {formula:RbCaCO3F,spaceGroup:P-62m,id:mp-867757} |
| RD_655727580794_000 | computation | Ca in AFLOW crystal prototype A_tI8_140_h. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_655826179940_000 | computation | Reference Data From Materials Project: {formula:Ca2ZnRh,spaceGroup:Fm-3m,id:mp-867854} |
| RD_655892660025_000 | computation | Reference Data From Materials Project: {formula:Ca3N2,spaceGroup:Pbna,id:mp-568293} |
| RD_656014565557_000 | computation | Reference Data From Materials Project: {formula:K6Ba2CaU6O24,spaceGroup:Cmme,id:mp-691065} |
| RD_656437585793_000 | computation | Reference Data From Materials Project: {formula:CaBiB,spaceGroup:F-43m,id:mp-631550} |
| RD_657388239009_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P4_2/mnm,id:mp-754572} |
| RD_657431371213_000 | computation | Reference Data From Materials Project: {formula:LiCa2Hg,spaceGroup:Fm-3m,id:mp-867210} |
| RD_657571938211_000 | computation | Reference Data From Materials Project: {formula:Ca7Au3,spaceGroup:Pcab,id:mp-30369} |
| RD_658247367413_000 | computation | Ca in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_658816897511_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_658924583294_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:Cc2m,id:mp-866810} |
| RD_658991428120_000 | computation | Reference Data From Materials Project: {formula:SrCa2WN4,spaceGroup:Pcab,id:mp-567568} |
| RD_659079357224_000 | computation | Reference Data From Materials Project: {formula:Ca3(AlGe)2,spaceGroup:Immm,id:mp-10670} |
| RD_659191665159_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca(BO2)6,spaceGroup:R-3,id:mp-8271} |
| RD_659859768057_000 | computation | Reference Data From Materials Project: {formula:Ca(Bi2O3)2,spaceGroup:Cm,id:mp-675592} |
| RD_659975285198_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:P2_1/c,id:mp-766365} |
| RD_660253953276_000 | computation | Reference Data From Materials Project: {formula:Ca2V3Ni2AgO12,spaceGroup:I4_1/acd,id:mp-705890} |
| RD_660514795624_000 | computation | Reference Data From Materials Project: {formula:Na2Ca3Al2F14,spaceGroup:I2_13,id:mp-555730} |
| RD_660694060391_000 | computation | Ca in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_660727710969_000 | computation | Reference Data From Materials Project: {formula:Ca6La2Mn7CrO24,spaceGroup:P-1,id:mp-743861} |
| RD_660752965187_000 | computation | Reference Data From Materials Project: {formula:CaLuRh2,spaceGroup:Fm-3m,id:mp-861869} |
| RD_661425283639_000 | computation | Reference Data From Materials Project: {formula:Ca14GaAs11,spaceGroup:I4_1/acd,id:mp-568790} |
| RD_661546319073_000 | computation | Reference Data From Materials Project: {formula:Ca2YFe3(SnO6)2,spaceGroup:P1,id:mp-694869} |
| RD_661620085631_000 | computation | Reference Data From Materials Project: {formula:K3CaV5O15,spaceGroup:Cmme,id:mp-583029} |
| RD_661789825688_000 | computation | Reference Data From Materials Project: {formula:CaAs2(HO2)4,spaceGroup:P-1,id:mp-24364} |
| RD_661796232525_000 | computation | Reference Data From Materials Project: {formula:CaZrO3,spaceGroup:Pbnm,id:mp-4571} |
| RD_661860621532_000 | computation | Reference Data From Materials Project: {formula:Ca10V6O25,spaceGroup:P3,id:mp-891956} |
| RD_661861453138_000 | computation | Reference Data From Materials Project: {formula:CaZn5,spaceGroup:P6/mmm,id:mp-1734} |
| RD_661938124323_000 | computation | Reference Data From Materials Project: {formula:CaIn,spaceGroup:Pm-3m,id:mp-20263} |
| RD_662344074042_000 | computation | Reference Data From Materials Project: {formula:CaCu(GeO3)2,spaceGroup:C2/c,id:mp-6297} |
| RD_663022410231_000 | computation | Reference Data From Materials Project: {formula:CaSO4,spaceGroup:P6_422,id:mp-556372} |
| RD_663466790773_000 | computation | Reference Data From Materials Project: {formula:BaCaRu2,spaceGroup:F-43m,id:mp-631512} |
| RD_664308284972_000 | computation | Reference Data From Materials Project: {formula:CaNd2Ti2ZnO9,spaceGroup:P1,id:mp-677231} |
| RD_664738166249_000 | computation | Reference Data From Materials Project: {formula:NaCaGaSi2O7,spaceGroup:P2_12_12_1,id:mp-698690} |
| RD_665385367714_000 | computation | Reference Data From Materials Project: {formula:Ca3Cu3(PO4)4,spaceGroup:P2_1/c,id:mp-6118} |
| RD_665418611866_000 | computation | Reference Data From Materials Project: {formula:Ca(Cu2As)2,spaceGroup:R-3m,id:mp-28006} |
| RD_665587625627_000 | computation | Reference Data From Materials Project: {formula:Ba7Ca2Mn5O20,spaceGroup:R-3m,id:mp-687011} |
| RD_666704779981_000 | computation | Reference Data From Materials Project: {formula:Ca2PN3,spaceGroup:Cmce,id:mp-8977} |
| RD_668105128572_000 | computation | Reference Data From Materials Project: {formula:Ca2BeSi2O7,spaceGroup:P-42_1m,id:mp-6208} |
| RD_668393596368_000 | computation | Reference Data From Materials Project: {formula:Ca3Hg2,spaceGroup:P4/mbm,id:mp-11288} |
| RD_668413715430_000 | computation | Reference Data From Materials Project: {formula:Na2CaSiO4,spaceGroup:P2_13,id:mp-555342} |
| RD_669818890508_000 | computation | Reference Data From Materials Project: {formula:CaSn3,spaceGroup:Pm-3m,id:mp-11290} |
| RD_670600381482_000 | computation | Reference Data From Materials Project: {formula:Ca3Al2H6S(OF)8,spaceGroup:C2/c,id:mp-23872} |
| RD_670687464454_000 | computation | Reference Data From Materials Project: {formula:Ca9Co(PO4)7,spaceGroup:R3c,id:mp-851050} |
| RD_671284382192_000 | computation | Reference Data From Materials Project: {formula:Ca3Cu2(BrO2)2,spaceGroup:I4/mmm,id:mp-545706} |
| RD_671556572324_000 | computation | Reference Data From Materials Project: {formula:CaLaVFeO6,spaceGroup:P1,id:mp-705523} |
| RD_671964550678_000 | computation | Reference Data From Materials Project: {formula:CaCr2O4,spaceGroup:Pnmm,id:mp-554694} |
| RD_672290660277_000 | computation | Reference Data From Materials Project: {formula:CaBr2,spaceGroup:Pmnn,id:mp-22888} |
| RD_672328939070_000 | computation | Reference Data From Materials Project: {formula:Ca2Ga2Si(HO4)2,spaceGroup:I-4,id:mp-760729} |
| RD_672484559005_000 | computation | Reference Data From Materials Project: {formula:Ca8MgSi4(ClO8)2,spaceGroup:P1,id:mp-686598} |
| RD_673420196828_000 | computation | Reference Data From Materials Project: {formula:CaPbI6,spaceGroup:F2dd,id:mp-771691} |
| RD_674003280242_000 | computation | Reference Data From Materials Project: {formula:BaCa(PO3)4,spaceGroup:P2_1/c,id:mp-556122} |
| RD_674167717658_000 | computation | Reference Data From Materials Project: {formula:Ca5Ni15B4,spaceGroup:P6_3/mmc,id:mp-28170} |
| RD_674231320669_000 | computation | Reference Data From Materials Project: {formula:Ca2Sb2O7,spaceGroup:Fd-3m,id:mp-14145} |
| RD_674251433597_000 | computation | Reference Data From Materials Project: {formula:Ca2MnAl2Si3HO13,spaceGroup:P2_1/m,id:mp-745107} |
| RD_674421416049_000 | computation | Reference Data From Materials Project: {formula:Ca2AlH10IO8,spaceGroup:P1,id:mp-677248} |
| RD_674430907852_000 | computation | Reference Data From Materials Project: {formula:Ca5(CuO2)6,spaceGroup:P2/c,id:mp-29917} |
| RD_674864649563_000 | computation | Ca in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_675494655068_000 | computation | Reference Data From Materials Project: {formula:Ca2Mg5Si8(O11F)2,spaceGroup:C2/m,id:mp-557662} |
| RD_675621735722_000 | computation | Reference Data From Materials Project: {formula:Na5CaAl5Fe(SiO3)12,spaceGroup:C2,id:mp-744927} |
| RD_676142902111_000 | computation | Reference Data From Materials Project: {formula:Ca(SeO3)2,spaceGroup:P2_1/c,id:mp-772779} |
| RD_676609744118_000 | computation | CaSi in AFLOW crystal prototype AB_oC8_63_c_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_677688017020_000 | computation | Reference Data From Materials Project: {formula:CaC2,spaceGroup:Pn-3m,id:mp-570697} |
| RD_677808846750_000 | computation | Reference Data From Materials Project: {formula:Ca2NdF7,spaceGroup:Cm,id:mp-675896} |
| RD_677995685315_000 | computation | Reference Data From Materials Project: {formula:Ca4Bi2O,spaceGroup:I4/mmm,id:mp-551873} |
| RD_678182379650_000 | computation | Reference Data From Materials Project: {formula:Ca3Pb,spaceGroup:Pm-3m,id:mp-30479} |
| RD_679117088776_000 | computation | Reference Data From Materials Project: {formula:CaLaI5,spaceGroup:Pnma,id:mp-770473} |
| RD_679124713734_000 | computation | Reference Data From Materials Project: {formula:CaThBr6,spaceGroup:Pmmb,id:mp-29015} |
| RD_679198729481_000 | computation | Reference Data From Materials Project: {formula:Ca(BH)2,spaceGroup:Pcmn,id:mp-580797} |
| RD_679520831054_000 | computation | Reference Data From Materials Project: {formula:Ca3CuRhO6,spaceGroup:C2/c,id:mp-558434} |
| RD_680211418444_000 | computation | Reference Data From Materials Project: {formula:NaCaAlF6,spaceGroup:P321,id:mp-17944} |
| RD_680301999590_000 | computation | Reference Data From Materials Project: {formula:BaLiCaVP2O9,spaceGroup:P2_1/c,id:mp-763851} |
| RD_680602423861_000 | computation | Reference Data From Materials Project: {formula:Ca10TaTi8Al(SiO5)10,spaceGroup:P1,id:mp-696633} |
| RD_680703543944_000 | computation | Reference Data From Materials Project: {formula:CaLaTiMnO6,spaceGroup:Pc,id:mp-40866} |
| RD_681225395623_000 | computation | Reference Data From Materials Project: {formula:LiCa9Mg(PO4)7,spaceGroup:P1,id:mp-686484} |
| RD_681228349598_000 | computation | Reference Data From Materials Project: {formula:Ca3(AsO4)2,spaceGroup:R3,id:mp-530449} |
| RD_682026108945_000 | computation | Reference Data From Materials Project: {formula:CaPd,spaceGroup:Pm-3m,id:mp-213} |
| RD_682263626173_000 | computation | Ca in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_682444578329_000 | computation | Reference Data From Materials Project: {formula:Ca(BC)2,spaceGroup:I4/mcm,id:mp-10289} |
| RD_682516007903_000 | computation | Reference Data From Materials Project: {formula:Ca4GdB3O10,spaceGroup:Cm,id:mp-6943} |
| RD_682801906396_000 | computation | Reference Data From Materials Project: {formula:CaGd2O4,spaceGroup:Cmcm,id:mp-754177} |
| RD_682840750267_000 | computation | Reference Data From Materials Project: {formula:BaCaLaBiO6,spaceGroup:F-43m,id:mp-39886} |
| RD_683418841299_000 | computation | Reference Data From Materials Project: {formula:PmCaAu2,spaceGroup:Fm-3m,id:mp-862882} |
| RD_683569808651_000 | computation | Reference Data From Materials Project: {formula:KCaNi2,spaceGroup:Fm-3m,id:mp-631619} |
| RD_683838768014_000 | computation | CaSi in AFLOW crystal prototype A2B_oP12_62_2c_c (metal-oxide; O2Zr1, ICSD #56696). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_684286381730_000 | computation | Reference Data From Materials Project: {formula:Ca4Cl6O,spaceGroup:P6_3mc,id:mp-23326} |
| RD_684298888419_000 | computation | Reference Data From Materials Project: {formula:Ba2CaWN4,spaceGroup:Fddd,id:mp-669377} |
| RD_684422864720_000 | computation | Reference Data From Materials Project: {formula:Ca4P6O19,spaceGroup:P-1,id:mp-559537} |
| RD_684593202579_000 | computation | Reference Data From Materials Project: {formula:Ca2CuO3,spaceGroup:Immm,id:mp-546226} |
| RD_685514881254_000 | computation | Reference Data From Materials Project: {formula:NaCaSiHO4,spaceGroup:P2_1,id:mp-634418} |
| RD_685566259045_000 | computation | Reference Data From Materials Project: {formula:CaCuSb,spaceGroup:P6_3/mmc,id:mp-5910} |
| RD_685631713534_000 | computation | Reference Data From Materials Project: {formula:Ca3VN3,spaceGroup:Ccmm,id:mp-9029} |
| RD_686057241484_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca3Tl2(CuO3)4,spaceGroup:I4/mmm,id:mp-556733} |
| RD_686260281089_000 | computation | Reference Data From Materials Project: {formula:Ca4Al11Si13(AgO16)3,spaceGroup:P1,id:mp-686702} |
| RD_686672187743_000 | computation | Reference Data From Materials Project: {formula:Ca3Al2(SiO4)3,spaceGroup:Ia-3d,id:mp-6008} |
| RD_687097626310_000 | computation | Reference Data From Materials Project: {formula:NaCa2V3(CoO6)2,spaceGroup:I4_1/acd,id:mp-743703} |
| RD_687294180827_000 | computation | Reference Data From Materials Project: {formula:Ca2MnWO6,spaceGroup:P2_1/c,id:mp-19108} |
| RD_687492912397_000 | computation | Reference Data From Materials Project: {formula:Ca3Zn2(CuP2)2,spaceGroup:P-3m1,id:mp-569617} |
| RD_688266739532_000 | computation | Reference Data From Materials Project: {formula:KCaCO3F,spaceGroup:P-6m2,id:mp-6867} |
| RD_688380828242_000 | computation | Reference Data From Materials Project: {formula:CaAu,spaceGroup:Ccmm,id:mp-12723} |
| RD_688587475670_000 | computation | Reference Data From Materials Project: {formula:CaMnSi,spaceGroup:P4/nmm,id:mp-21096} |
| RD_689420014061_000 | computation | Reference Data From Materials Project: {formula:Ca2FeN2,spaceGroup:C2/m,id:mp-28770} |
| RD_689643327192_000 | computation | Reference Data From Materials Project: {formula:CaTaNO2,spaceGroup:Pb2_1m,id:mp-556340} |
| RD_690005481393_000 | computation | Reference Data From Materials Project: {formula:CsCaF3,spaceGroup:Pm-3m,id:mp-7104} |
| RD_690130802370_000 | computation | CaSi in AFLOW crystal prototype AB_oP4_47_i_i. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_691014918984_000 | computation | Reference Data From Materials Project: {formula:Ca2TlPb,spaceGroup:Fm-3m,id:mp-861604} |
| RD_691629472965_000 | computation | Reference Data From Materials Project: {formula:Ca3Fe2(GeO4)3,spaceGroup:Ia-3d,id:mp-640879} |
| RD_692454211350_000 | computation | Reference Data From Materials Project: {formula:Ca(C2N3)2,spaceGroup:C2/c,id:mp-29960} |
| RD_692497614684_000 | computation | Reference Data From Materials Project: {formula:Ca3La5Mn7NiO24,spaceGroup:P1,id:mp-39207} |
| RD_692649547557_000 | computation | Reference Data From Materials Project: {formula:Ca(ZnGe)2,spaceGroup:I4/mmm,id:mp-13911} |
| RD_692719769272_000 | computation | Reference Data From Materials Project: {formula:Ca4Sb2S,spaceGroup:I-42d,id:mp-35269} |
| RD_694408241422_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:Pbcn,id:mp-756798} |
| RD_694827964419_000 | computation | Reference Data From Materials Project: {formula:Ca5Ta4O15,spaceGroup:P-3m1,id:mp-769280} |
| RD_695885903175_000 | computation | Reference Data From Materials Project: {formula:Ca5As3O12F,spaceGroup:P-1,id:mp-557482} |
| RD_696252673208_000 | computation | Reference Data From Materials Project: {formula:CaTi2O4,spaceGroup:Cmcm,id:mp-3463} |
| RD_696279547820_000 | computation | Reference Data From Materials Project: {formula:Li25Ca5La7Nb8O48,spaceGroup:P1,id:mp-695291} |
| RD_696723480534_000 | computation | Reference Data From Materials Project: {formula:Ca3(AlN2)2,spaceGroup:P2_12_12_1,id:mp-29820} |
| RD_696892677746_000 | computation | Reference Data From Materials Project: {formula:CaP2(H2O3)3,spaceGroup:P-1,id:mp-706278} |
| RD_697091978369_000 | computation | Reference Data From Materials Project: {formula:CaPd3O4,spaceGroup:Pm-3n,id:mp-3315} |
| RD_697788544890_000 | computation | Reference Data From Materials Project: {formula:CaZn11,spaceGroup:I4_1/amd,id:mp-18567} |
| RD_697977925604_000 | computation | Reference Data From Materials Project: {formula:Ca2Si5N8,spaceGroup:Pcab,id:mp-570645} |
| RD_698053037855_000 | computation | Reference Data From Materials Project: {formula:Ca2CuTe4(ClO5)2,spaceGroup:P-1,id:mp-558663} |
| RD_698269151924_000 | computation | Reference Data From Materials Project: {formula:Ca4La4Mn7NiO24,spaceGroup:P1,id:mp-697834} |
| RD_698635081597_000 | computation | Reference Data From Materials Project: {formula:LiCaGaN2,spaceGroup:P2_1/c,id:mp-570948} |
| RD_700350110787_000 | computation | Reference Data From Materials Project: {formula:Ba2CaY(Co4O7)2,spaceGroup:P3m1,id:mp-698728} |
| RD_700396307415_000 | computation | Reference Data From Materials Project: {formula:Ca3TaGa3(SiO7)2,spaceGroup:P321,id:mp-6853} |
| RD_700796663595_000 | computation | Reference Data From Materials Project: {formula:LiCa3RuO6,spaceGroup:R-3c,id:mp-6342} |
| RD_700887230953_000 | computation | Reference Data From Materials Project: {formula:Ca3Ga2Si(SnO6)2,spaceGroup:I4_1/acd,id:mp-695070} |
| RD_701179631857_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6O13,spaceGroup:I-43m,id:mp-7531} |
| RD_701329941102_000 | computation | Reference Data From Materials Project: {formula:CsCa2Nb3O10,spaceGroup:Pcmn,id:mp-581330} |
| RD_701375267369_000 | computation | Reference Data From Materials Project: {formula:CaMgNi4,spaceGroup:F-43m,id:mp-13434} |
| RD_701659475565_000 | computation | Reference Data From Materials Project: {formula:Ca3Sn13Rh4,spaceGroup:Pm-3n,id:mp-4363} |
| RD_701772275669_000 | computation | Reference Data From Materials Project: {formula:CaPtO3,spaceGroup:Cmcm,id:mp-4784} |
| RD_701840072041_000 | computation | Reference Data From Materials Project: {formula:Ca3N2,spaceGroup:Ia3,id:mp-844} |
| RD_701899938536_000 | computation | Reference Data From Materials Project: {formula:SrCa2I6,spaceGroup:P2_12_12_1,id:mp-771568} |
| RD_702473728971_000 | computation | Reference Data From Materials Project: {formula:Ca4SmB3O10,spaceGroup:Cm,id:mp-6388} |
| RD_703520172998_000 | computation | Reference Data From Materials Project: {formula:CaTeO3,spaceGroup:P1,id:mp-561374} |
| RD_703771393346_000 | computation | Reference Data From Materials Project: {formula:CaPrHg2,spaceGroup:Fm-3m,id:mp-867217} |
| RD_704131133421_000 | computation | Reference Data From Materials Project: {formula:CaH8(ClO2)2,spaceGroup:P2_1/c,id:mp-720571} |
| RD_704704310273_000 | computation | Reference Data From Materials Project: {formula:CaZrSi2O7,spaceGroup:C2,id:mp-7079} |
| RD_704858237719_000 | computation | Reference Data From Materials Project: {formula:Ba2CaFe2CuF14,spaceGroup:C2/c,id:mp-622251} |
| RD_704967037048_000 | computation | Reference Data From Materials Project: {formula:NaCa2ScZn2(SiO3)6,spaceGroup:C2/c,id:mp-534778} |
| RD_706024072132_000 | computation | Reference Data From Materials Project: {formula:Ca(MgSb)2,spaceGroup:P-3m1,id:mp-9565} |
| RD_706192628141_000 | computation | Reference Data From Materials Project: {formula:CaCuAsHO5,spaceGroup:P2_12_12_1,id:mp-510729} |
| RD_706214501511_000 | computation | Reference Data From Materials Project: {formula:CaAl2(SiO4)2,spaceGroup:P-1,id:mp-6532} |
| RD_706239801835_000 | computation | Reference Data From Materials Project: {formula:CaTiFe(PO4)3,spaceGroup:R3c,id:mp-39160} |
| RD_707259652294_000 | computation | Reference Data From Materials Project: {formula:Ca5(AlSb3)2,spaceGroup:Pmcb,id:mp-8439} |
| RD_707314081545_000 | computation | Reference Data From Materials Project: {formula:Ca2Ti6N2O11,spaceGroup:Cm,id:mp-776452} |
| RD_707458660527_000 | computation | CaSi in AFLOW crystal prototype AB2_hP3_164_a_d. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_708468741957_000 | computation | Reference Data From Materials Project: {formula:Ca2NiWO6,spaceGroup:P2_1/c,id:mp-19114} |
| RD_708504812945_000 | computation | Reference Data From Materials Project: {formula:CaAl2O4,spaceGroup:P2_1/m,id:mp-558636} |
| RD_708535007567_000 | computation | Reference Data From Materials Project: {formula:Ca(NO3)2,spaceGroup:Pa3,id:mp-3142} |
| RD_708626435981_000 | computation | Reference Data From Materials Project: {formula:Ba2CaWO6,spaceGroup:C2/m,id:mp-19098} |
| RD_709086123529_000 | computation | Reference Data From Materials Project: {formula:CaZr4O9,spaceGroup:C2/c,id:mp-554190} |
| RD_709257388224_000 | computation | Reference Data From Materials Project: {formula:CaTa2O6,spaceGroup:Pm3,id:mp-554038} |
| RD_709759278156_000 | computation | Reference Data From Materials Project: {formula:Ca3Mn2(Si2O7)2,spaceGroup:C2/c,id:mp-565228} |
| RD_709836496037_000 | computation | Reference Data From Materials Project: {formula:RbCaSb,spaceGroup:P4/nmm,id:mp-9846} |
| RD_710966891034_000 | computation | Reference Data From Materials Project: {formula:Ca2NiWO6,spaceGroup:Pnnm,id:mp-567021} |
| RD_711396527743_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:P321,id:mp-756238} |
| RD_711484832481_000 | computation | Reference Data From Materials Project: {formula:KBa3Ca4V7Cu3O28,spaceGroup:P6_3mc,id:mp-567061} |
| RD_711509324240_000 | computation | Reference Data From Materials Project: {formula:CaLaAg2,spaceGroup:Fm-3m,id:mp-862795} |
| RD_712169033993_000 | computation | Reference Data From Materials Project: {formula:Ca3GeO,spaceGroup:Pm-3m,id:mp-9721} |
| RD_712194325366_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ca, fcc Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-45) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_712929469439_000 | computation | Reference Data From Materials Project: {formula:CaPrCd2,spaceGroup:Fm-3m,id:mp-867257} |
| RD_713105276834_000 | computation | Reference Data From Materials Project: {formula:Ca,spaceGroup:Fm-3m,id:mp-45} |
| RD_713517266184_000 | computation | Reference Data From Materials Project: {formula:Ca2As3Pb3ClO12,spaceGroup:P6_3/m,id:mp-557347} |
| RD_714583599384_000 | computation | Reference Data From Materials Project: {formula:CaY2O4,spaceGroup:Fd-3m,id:mp-753815} |
| RD_714908077820_000 | computation | Reference Data From Materials Project: {formula:Ca4SnS6,spaceGroup:Cc,id:mp-866473} |
| RD_715285917660_000 | computation | Reference Data From Materials Project: {formula:Ca4(H4Rh)3,spaceGroup:Im-3m,id:mp-697126} |
| RD_715988642285_000 | computation | Reference Data From Materials Project: {formula:CaIn,spaceGroup:I4/mmm,id:mp-21187} |
| RD_716799849215_000 | computation | Reference Data From Materials Project: {formula:CaPH5O6,spaceGroup:Cc,id:mp-24389} |
| RD_717582196526_000 | computation | Reference Data From Materials Project: {formula:Ca(SbO3)2,spaceGroup:P-31m,id:mp-9125} |
| RD_719083204505_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P-4b2,id:mp-766287} |
| RD_719100422359_000 | computation | Reference Data From Materials Project: {formula:BaCaCrF7,spaceGroup:P2/c,id:mp-560577} |
| RD_719257194268_000 | computation | CaSi in AFLOW crystal prototype AB2_hR3_166_a_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_719260243118_000 | computation | CaH in AFLOW crystal prototype AB2_oP12_62_c_2c (metal-oxide; O2Pr1, ICSD #380398). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_719879656367_000 | computation | Reference Data From Materials Project: {formula:CaIn2O4,spaceGroup:Fd-3m,id:mp-22766} |
| RD_720707721040_000 | computation | Ca in AFLOW crystal prototype A_tI8_140_h. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_720887526254_000 | computation | CaCd in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_720909664903_000 | computation | Reference Data From Materials Project: {formula:Ca2Cu,spaceGroup:Pmnb,id:mp-12614} |
| RD_721184512920_000 | computation | Reference Data From Materials Project: {formula:Ca5La7Mn7Ru5O36,spaceGroup:P1,id:mp-743863} |
| RD_721682701413_000 | computation | Reference Data From Materials Project: {formula:CaSiNi2,spaceGroup:P6_3/mmc,id:mp-10797} |
| RD_721754753628_000 | computation | Reference Data From Materials Project: {formula:CaCuBi,spaceGroup:P6_3/mmc,id:mp-22941} |
| RD_721797568060_000 | computation | Reference Data From Materials Project: {formula:CaPrCd2,spaceGroup:Fm-3m,id:mp-867257} |
| RD_722590694422_000 | computation | Reference Data From Materials Project: {formula:CaSO4,spaceGroup:P2_1/c,id:mp-12372} |
| RD_722986632944_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6TeO12,spaceGroup:I-43m,id:mp-15312} |
| RD_723504673871_000 | computation | Reference Data From Materials Project: {formula:CaFe3P3O13,spaceGroup:P2_1/m,id:mp-565830} |
| RD_723665855566_000 | computation | Reference Data From Materials Project: {formula:CaSe,spaceGroup:Fm-3m,id:mp-1415} |
| RD_723879304936_000 | computation | Reference Data From Materials Project: {formula:CaTiF6,spaceGroup:Fm-3m,id:mp-27315} |
| RD_724008585603_000 | computation | Reference Data From Materials Project: {formula:Ca4SnS6,spaceGroup:R-3c,id:mp-866871} |
| RD_724165245188_000 | computation | Reference Data From Materials Project: {formula:Ca3GeN,spaceGroup:Pm-3m,id:mp-11822} |
| RD_724232250647_000 | computation | Reference Data From Materials Project: {formula:Ca3Si2SnO9,spaceGroup:P2_1/c,id:mp-15095} |
| RD_724595607676_000 | computation | Reference Data From Materials Project: {formula:CaTi2(HO3)2,spaceGroup:P2_1/c,id:mp-709021} |
| RD_724683281898_000 | computation | Reference Data From Materials Project: {formula:CaZn3Ni2,spaceGroup:P6/mmm,id:mp-542953} |
| RD_725112122799_000 | computation | Reference Data From Materials Project: {formula:CaZn5,spaceGroup:P6/mmm,id:mp-1734} |
| RD_725199251165_000 | computation | Reference Data From Materials Project: {formula:Ca3GeO,spaceGroup:Pm-3m,id:mp-9721} |
| RD_725452826584_000 | computation | Reference Data From Materials Project: {formula:CaV2P3HO12,spaceGroup:P2_1/c,id:mp-735589} |
| RD_727843012167_000 | computation | Reference Data From Materials Project: {formula:CaNdRh2,spaceGroup:Fm-3m,id:mp-866227} |
| RD_727944114007_000 | computation | Reference Data From Materials Project: {formula:CaMoO4,spaceGroup:I4_1/a,id:mp-19330} |
| RD_728403927132_000 | computation | Reference Data From Materials Project: {formula:Ca2Al4Si4H18O25,spaceGroup:P1,id:mp-690271} |
| RD_728604146457_000 | computation | Reference Data From Materials Project: {formula:Ca2NCl,spaceGroup:R-3m,id:mp-22936} |
| RD_728939332818_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca2Zn5Fe3O14,spaceGroup:P2_1,id:mp-694875} |
| RD_729039226419_000 | computation | Reference Data From Materials Project: {formula:Na2Ca9NdY5HoF41,spaceGroup:P1,id:mp-720432} |
| RD_729199749497_000 | computation | Reference Data From Materials Project: {formula:CaFe2Sb2(PO4)6,spaceGroup:R-3,id:mp-698695} |
| RD_730020659797_000 | computation | Reference Data From Materials Project: {formula:Ca2Mn2Si4H6O17,spaceGroup:C2,id:mp-744672} |
| RD_730032448278_000 | computation | Reference Data From Materials Project: {formula:CaReBi,spaceGroup:F-43m,id:mp-631458} |
| RD_730048465978_000 | computation | Reference Data From Materials Project: {formula:CaZrRh2,spaceGroup:Fm-3m,id:mp-861662} |
| RD_730210264453_000 | computation | Reference Data From Materials Project: {formula:CaMg(SiO3)2,spaceGroup:C2/c,id:mp-562517} |
| RD_730633716273_000 | computation | Reference Data From Materials Project: {formula:Ca3In2O6,spaceGroup:Pb2_1m,id:mp-757442} |
| RD_730852019653_000 | computation | Reference Data From Materials Project: {formula:CaTiO3,spaceGroup:Ibmm,id:mp-556003} |
| RD_730974033632_000 | computation | Reference Data From Materials Project: {formula:Ca3Zn2(CuP2)2,spaceGroup:P-3m1,id:mp-569617} |
| RD_730999225827_000 | computation | Reference Data From Materials Project: {formula:CaGa2,spaceGroup:P6/mmm,id:mp-992} |
| RD_731135551769_000 | computation | Reference Data From Materials Project: {formula:Ca9LaTi6Mn4O30,spaceGroup:P1,id:mp-706246} |
| RD_731566439379_000 | computation | Reference Data From Materials Project: {formula:CaNb2Ga2(CuO4)3,spaceGroup:Pn3,id:mp-686705} |
| RD_731658804666_000 | computation | Reference Data From Materials Project: {formula:CaB4O7,spaceGroup:P2_1/c,id:mp-556214} |
| RD_732287524945_000 | computation | Reference Data From Materials Project: {formula:EuCaIn2,spaceGroup:Fm-3m,id:mp-865553} |
| RD_733312233072_000 | computation | Reference Data From Materials Project: {formula:Ba2CaReO6,spaceGroup:Fm-3m,id:mp-6635} |
| RD_733463633766_000 | computation | Reference Data From Materials Project: {formula:Ca8La2Ti5Cr5O30,spaceGroup:P-1,id:mp-744075} |
| RD_734286877047_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:Pm-3m,id:mp-5893} |
| RD_734717764967_000 | computation | Reference Data From Materials Project: {formula:CaIn4Pd,spaceGroup:Ccmm,id:mp-20108} |
| RD_734728827465_000 | computation | Reference Data From Materials Project: {formula:CaCu3(SnO3)4,spaceGroup:Im3,id:mp-18190} |
| RD_734802188693_000 | computation | Reference Data From Materials Project: {formula:CaFeSbAs2O7,spaceGroup:I4_1/a,id:mp-566256} |
| RD_735203184098_000 | computation | Reference Data From Materials Project: {formula:KCa9Co(PO4)7,spaceGroup:R3c,id:mp-699567} |
| RD_735367916875_000 | computation | Reference Data From Materials Project: {formula:CaAl12O19,spaceGroup:P6_3/mmc,id:mp-28234} |
| RD_735479182348_000 | computation | Reference Data From Materials Project: {formula:CaTa2Bi2O9,spaceGroup:Cmc2_1,id:mp-556697} |
| RD_735510954247_000 | computation | Reference Data From Materials Project: {formula:Ca2MnGaO5,spaceGroup:I2cm,id:mp-25018} |
| RD_736395403712_000 | computation | Reference Data From Materials Project: {formula:CaPrAg2,spaceGroup:Fm-3m,id:mp-866060} |
| RD_736418017521_000 | computation | Reference Data From Materials Project: {formula:BaCaLaBiO6,spaceGroup:F-43m,id:mp-39886} |
| RD_736438351274_000 | computation | Reference Data From Materials Project: {formula:Ca6La14Mg7Ti13O60,spaceGroup:P1,id:mp-720199} |
| RD_736502470809_000 | computation | Reference Data From Materials Project: {formula:Ca2Sn2F3,spaceGroup:Cm,id:mp-674232} |
| RD_736895026161_000 | computation | Reference Data From Materials Project: {formula:CaC2,spaceGroup:Pn-3m,id:mp-570697} |
| RD_737138300918_000 | computation | Reference Data From Materials Project: {formula:LiCa2Ge3,spaceGroup:Pmnn,id:mp-504670} |
| RD_737252719753_000 | computation | Reference Data From Materials Project: {formula:Ca5P3ClO12,spaceGroup:P2_1/c,id:mp-555164} |
| RD_737446133966_000 | computation | Reference Data From Materials Project: {formula:CaSiPd,spaceGroup:P2_1/c,id:mp-8842} |
| RD_737676534429_000 | computation | Reference Data From Materials Project: {formula:Ca2Al4Si4H18O25,spaceGroup:P1,id:mp-695251} |
| RD_737860433437_000 | computation | Reference Data From Materials Project: {formula:CaGeN2,spaceGroup:I-42d,id:mp-7801} |
| RD_737928291947_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:Pm-3m,id:mp-5893} |
| RD_738170709795_000 | computation | Reference Data From Materials Project: {formula:CaTa2Tl,spaceGroup:F-43m,id:mp-631411} |
| RD_738325606318_000 | computation | Reference Data From Materials Project: {formula:LiCaP3H8O13,spaceGroup:P-1,id:mp-721067} |
| RD_738824036899_000 | computation | Reference Data From Materials Project: {formula:KCa10V7O28,spaceGroup:R3c,id:mp-565379} |
| RD_738826338069_000 | computation | Reference Data From Materials Project: {formula:CaMgTl2,spaceGroup:Fm-3m,id:mp-867266} |
| RD_739354215661_000 | computation | Reference Data From Materials Project: {formula:Na2Ca3(Si3O8)2,spaceGroup:P-1,id:mp-558087} |
| RD_739375176522_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:R3m,id:mp-570182} |
| RD_740457991459_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:P2_13,id:mp-866565} |
| RD_740589098355_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca(BO3)2,spaceGroup:C2/m,id:mp-549737} |
| RD_740743489222_000 | computation | Reference Data From Materials Project: {formula:CaPuRh2,spaceGroup:Fm-3m,id:mp-864998} |
| RD_740925466360_000 | computation | Reference Data From Materials Project: {formula:Ca4IrO6,spaceGroup:R-3c,id:mp-4100} |
| RD_741064413489_000 | computation | Reference Data From Materials Project: {formula:Ca2ZnSi2O7,spaceGroup:P-42_1m,id:mp-6227} |
| RD_741216286557_000 | computation | Reference Data From Materials Project: {formula:Ca3SnS5,spaceGroup:P6_3cm,id:mp-866509} |
| RD_741593311986_000 | computation | Reference Data From Materials Project: {formula:CaSi2,spaceGroup:R-3m,id:mp-2700} |
| RD_741825895324_000 | computation | Reference Data From Materials Project: {formula:CaSmRh2,spaceGroup:Fm-3m,id:mp-866280} |
| RD_741921598891_000 | computation | Reference Data From Materials Project: {formula:CaTa2Tl,spaceGroup:F-43m,id:mp-631411} |
| RD_742318674672_000 | computation | Reference Data From Materials Project: {formula:Ca2HN,spaceGroup:Fd-3m,id:mp-24119} |
| RD_742592086905_000 | computation | Reference Data From Materials Project: {formula:CaCuF4,spaceGroup:I4/mcm,id:mp-12266} |
| RD_742821538986_000 | computation | CaSi in AFLOW crystal prototype AB_oC8_63_c_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_743194603161_000 | computation | Reference Data From Materials Project: {formula:LiCaN,spaceGroup:Pmcn,id:mp-31468} |
| RD_743326989990_000 | computation | Reference Data From Materials Project: {formula:CaZnSO,spaceGroup:P6_3mc,id:mp-7204} |
| RD_743569992703_000 | computation | Reference Data From Materials Project: {formula:Ca9LaTi9MnO30,spaceGroup:Pm,id:mp-694954} |
| RD_743586017987_000 | computation | Reference Data From Materials Project: {formula:NaCaAu2,spaceGroup:Fm-3m,id:mp-865082} |
| RD_743776252392_000 | computation | Reference Data From Materials Project: {formula:Ca3(AlN2)2,spaceGroup:C2/c,id:mp-570258} |
| RD_744220297332_000 | computation | Reference Data From Materials Project: {formula:Na3CaAl3Si3CO15,spaceGroup:P6_3,id:mp-705635} |
| RD_744991366664_000 | computation | Reference Data From Materials Project: {formula:CaSi2O5,spaceGroup:P-1,id:mp-29755} |
| RD_745142071917_000 | computation | Reference Data From Materials Project: {formula:Ca2Sn5Pt3,spaceGroup:Pmnb,id:mp-21774} |
| RD_745338440684_000 | computation | Reference Data From Materials Project: {formula:BaCaGaF7,spaceGroup:P2/c,id:mp-8416} |
| RD_746001597200_000 | computation | Ca in AFLOW crystal prototype A_oF4_69_a. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_746377306169_000 | computation | Reference Data From Materials Project: {formula:Ca(AsPd)2,spaceGroup:I4/mmm,id:mp-5166} |
| RD_746472221539_000 | computation | Reference Data From Materials Project: {formula:Ca2CoWO6,spaceGroup:P2_1/c,id:mp-19161} |
| RD_746510198889_000 | computation | Reference Data From Materials Project: {formula:Ca4P2O,spaceGroup:I4/mmm,id:mp-5380} |
| RD_746563945791_000 | computation | Reference Data From Materials Project: {formula:CaSiPt,spaceGroup:P2_13,id:mp-4478} |
| RD_746574737601_000 | computation | Reference Data From Materials Project: {formula:CaMn3O6,spaceGroup:P2_1/c,id:mp-566229} |
| RD_747089728277_000 | computation | Reference Data From Materials Project: {formula:Ca3(AlAs2)2,spaceGroup:C2/c,id:mp-28304} |
| RD_747388704331_000 | computation | Reference Data From Materials Project: {formula:Ca3Sn4S11,spaceGroup:P-1,id:mp-866622} |
| RD_747423422161_000 | computation | Reference Data From Materials Project: {formula:Ca,spaceGroup:P6_3/mmc,id:mp-132} |
| RD_747786352410_000 | computation | Reference Data From Materials Project: {formula:Ca3(B3Rh4)2,spaceGroup:Fmmm,id:mp-569257} |
| RD_747925917976_000 | computation | Reference Data From Materials Project: {formula:Ca7Ni4Sn13,spaceGroup:P4/m,id:mp-31158} |
| RD_748321176868_000 | computation | Reference Data From Materials Project: {formula:CaAgSb,spaceGroup:Pmnb,id:mp-11214} |
| RD_748520788640_000 | computation | Reference Data From Materials Project: {formula:RbCaF3,spaceGroup:Pm-3m,id:mp-3654} |
| RD_748828533257_000 | computation | Reference Data From Materials Project: {formula:Ca4YFe5O13,spaceGroup:Pnam,id:mp-650518} |
| RD_750620264097_000 | computation | Reference Data From Materials Project: {formula:Ca3Al2(HO)12,spaceGroup:Ia-3d,id:mp-23882} |
| RD_750645634124_000 | computation | Reference Data From Materials Project: {formula:CaMg2(SO4)3,spaceGroup:P6_3/m,id:mp-554094} |
| RD_750729569399_000 | computation | Reference Data From Materials Project: {formula:BaCa(FeO2)4,spaceGroup:P-31m,id:mp-18950} |
| RD_751255111301_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_751413149895_000 | computation | Reference Data From Materials Project: {formula:CaP3H10NO12,spaceGroup:P2_12_12,id:mp-705854} |
| RD_751671783650_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:I-4,id:mp-866922} |
| RD_752006192004_000 | computation | Reference Data From Materials Project: {formula:CaNb2Bi2O9,spaceGroup:I4/mmm,id:mp-555616} |
| RD_752324601897_000 | computation | Reference Data From Materials Project: {formula:Ca(H8O5)2,spaceGroup:P1,id:mp-626267} |
| RD_752648337869_000 | computation | Reference Data From Materials Project: {formula:CaPb3,spaceGroup:Pm-3m,id:mp-20549} |
| RD_753120276632_000 | computation | Reference Data From Materials Project: {formula:Ca(ZnP)2,spaceGroup:P-3m1,id:mp-9569} |
| RD_754067060914_000 | computation | Reference Data From Materials Project: {formula:Ca9LaTi4Mn6O30,spaceGroup:P1,id:mp-744380} |
| RD_755052019765_000 | computation | Reference Data From Materials Project: {formula:Ca2Nb2O7,spaceGroup:Fd-3m,id:mp-4155} |
| RD_755569613470_000 | computation | Reference Data From Materials Project: {formula:Ca3GeN,spaceGroup:Pm-3m,id:mp-11822} |
| RD_756394408150_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_756488691869_000 | computation | Reference Data From Materials Project: {formula:CaH2(CO2)2,spaceGroup:P4_32_12,id:mp-560511} |
| RD_756858183385_000 | computation | Reference Data From Materials Project: {formula:Ca3(GeP2)2,spaceGroup:P2_1/c,id:mp-17817} |
| RD_757010731508_000 | computation | Reference Data From Materials Project: {formula:Ca12Al14O33,spaceGroup:P1,id:mp-532016} |
| RD_757061281157_000 | computation | Reference Data From Materials Project: {formula:CaNi2,spaceGroup:Fd-3m,id:mp-2295} |
| RD_757404123733_000 | computation | Reference Data From Materials Project: {formula:K3Ca2Mg10Si16(HO12)4,spaceGroup:P-1,id:mp-720217} |
| RD_757483256183_000 | computation | Reference Data From Materials Project: {formula:CaFe3O5,spaceGroup:Cmcm,id:mp-19193} |
| RD_757633973159_000 | computation | Reference Data From Materials Project: {formula:PmCaRh2,spaceGroup:Fm-3m,id:mp-862885} |
| RD_758295501834_000 | computation | Reference Data From Materials Project: {formula:CaLaI5,spaceGroup:Pnma,id:mp-772170} |
| RD_758419817017_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:P-62m,id:mp-866580} |
| RD_759171430357_000 | computation | Reference Data From Materials Project: {formula:Ca4In2N,spaceGroup:I4_1/amd,id:mp-20419} |
| RD_759462413359_000 | computation | Reference Data From Materials Project: {formula:LiCa2Si3,spaceGroup:Pmnn,id:mp-20150} |
| RD_759641510769_000 | computation | Reference Data From Materials Project: {formula:Li6Ca12W4N16O3,spaceGroup:I-43d,id:mp-19531} |
| RD_759692451600_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6SO12,spaceGroup:I-43m,id:mp-8876} |
| RD_759913215057_000 | computation | Reference Data From Materials Project: {formula:CaInHg2,spaceGroup:Fm-3m,id:mp-867201} |
| RD_760698562080_000 | computation | Reference Data From Materials Project: {formula:CaNdRh2,spaceGroup:Fm-3m,id:mp-866227} |
| RD_760884334889_000 | computation | Reference Data From Materials Project: {formula:CaH4Se2O7,spaceGroup:P-1,id:mp-733858} |
| RD_760968705313_000 | computation | Reference Data From Materials Project: {formula:CaAs3F15,spaceGroup:P1,id:mp-685315} |
| RD_761315191135_000 | computation | Reference Data From Materials Project: {formula:Ca5(GaN2)2,spaceGroup:Cmce,id:mp-28489} |
| RD_762407607263_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:P-62m,id:mp-866580} |
| RD_762497537589_000 | computation | Reference Data From Materials Project: {formula:CaH4SeO6,spaceGroup:C2/c,id:mp-24534} |
| RD_762523414680_000 | computation | Reference Data From Materials Project: {formula:Ba8CaY2U4O24,spaceGroup:Cmmm,id:mp-667498} |
| RD_762739311933_000 | computation | Reference Data From Materials Project: {formula:Ca(ZnP)2,spaceGroup:P-3m1,id:mp-9569} |
| RD_763012046227_000 | computation | Reference Data From Materials Project: {formula:Ca(As2Rh3)2,spaceGroup:P-6m2,id:mp-16044} |
| RD_763396230177_000 | computation | Reference Data From Materials Project: {formula:Ca7Ge6,spaceGroup:Pnam,id:mp-16571} |
| RD_763418132505_000 | computation | Reference Data From Materials Project: {formula:CaLaMnSnO6,spaceGroup:Pc,id:mp-694915} |
| RD_763717940552_000 | computation | Reference Data From Materials Project: {formula:CaN6,spaceGroup:Fddd,id:mp-676} |
| RD_763731915127_000 | computation | Reference Data From Materials Project: {formula:CaCuGe,spaceGroup:Pmcn,id:mp-21779} |
| RD_763995542655_000 | computation | Reference Data From Materials Project: {formula:CaB3H13O12,spaceGroup:P2_1/c,id:mp-733877} |
| RD_764083681891_000 | computation | Reference Data From Materials Project: {formula:CaMn2Be3(SiO4)3,spaceGroup:P2_1/c,id:mp-19548} |
| RD_764417129740_000 | computation | Reference Data From Materials Project: {formula:Ca,spaceGroup:Fm-3m,id:mp-45} |
| RD_764683760513_000 | computation | Reference Data From Materials Project: {formula:Ca3ReO6,spaceGroup:P2_1/c,id:mp-9457} |
| RD_765567790525_000 | computation | Reference Data From Materials Project: {formula:Ca(NiO2)4,spaceGroup:R-3m,id:mp-18718} |
| RD_765695714566_000 | computation | Reference Data From Materials Project: {formula:Ca4(PPd)5,spaceGroup:Ccmm,id:mp-28925} |
| RD_765982320944_000 | computation | Reference Data From Materials Project: {formula:Ca2Fe2O5,spaceGroup:P-1,id:mp-690093} |
| RD_766788711149_000 | computation | Reference Data From Materials Project: {formula:CaCd,spaceGroup:Pm-3m,id:mp-1073} |
| RD_767103104147_000 | computation | Reference Data From Materials Project: {formula:BaCaP2(HO4)2,spaceGroup:P2_1/c,id:mp-733968} |
| RD_767221417006_000 | computation | Reference Data From Materials Project: {formula:Ca2As3Pb3ClO12,spaceGroup:P6_3/m,id:mp-557347} |
| RD_767531201916_000 | computation | Reference Data From Materials Project: {formula:Ca(MgSb)2,spaceGroup:P-3m1,id:mp-9565} |
| RD_767695978695_000 | computation | Reference Data From Materials Project: {formula:Ca3Zn3(TeO6)2,spaceGroup:Ia-3d,id:mp-14778} |
| RD_767937768972_000 | computation | Reference Data From Materials Project: {formula:CaCuAs2O7,spaceGroup:P2_1/c,id:mp-6203} |
| RD_768710771686_000 | computation | Reference Data From Materials Project: {formula:Ca(LaTe2)2,spaceGroup:I-42d,id:mp-36031} |
| RD_769068034296_000 | computation | Reference Data From Materials Project: {formula:CaAlSiH,spaceGroup:P3m1,id:mp-568177} |
| RD_769387918958_000 | computation | Reference Data From Materials Project: {formula:EuCaO2,spaceGroup:R-3m,id:mp-755389} |
| RD_769581824793_000 | computation | Reference Data From Materials Project: {formula:Ba2CaIrO6,spaceGroup:Fm-3m,id:mp-20841} |
| RD_770133681848_000 | computation | Reference Data From Materials Project: {formula:CaCO3,spaceGroup:Pnmm,id:mp-3205} |
| RD_770399254367_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:I4/mmm,id:mp-866819} |
| RD_771020124562_000 | computation | Reference Data From Materials Project: {formula:Ca4Ni3C5,spaceGroup:C2/m,id:mp-28742} |
| RD_771400014593_000 | computation | Reference Data From Materials Project: {formula:LiCaNiF6,spaceGroup:P-31c,id:mp-559584} |
| RD_771468618149_000 | computation | Reference Data From Materials Project: {formula:CaAu5,spaceGroup:F-43m,id:mp-568920} |
| RD_771506481604_000 | computation | Reference Data From Materials Project: {formula:Ba14Na8CaN6,spaceGroup:P6_3/m,id:mp-777942} |
| RD_772255506883_000 | computation | Reference Data From Materials Project: {formula:CaCO3,spaceGroup:Pbnm,id:mp-553939} |
| RD_772362133517_000 | computation | Reference Data From Materials Project: {formula:Ca(AlSi)2,spaceGroup:P-3m1,id:mp-7704} |
| RD_773053059966_000 | computation | Reference Data From Materials Project: {formula:CaBiB,spaceGroup:F-43m,id:mp-631550} |
| RD_773344343916_000 | computation | Reference Data From Materials Project: {formula:CaSmZn2,spaceGroup:Fm-3m,id:mp-866061} |
| RD_774094980866_000 | computation | Reference Data From Materials Project: {formula:Na3Ca7Ta3Ti7O30,spaceGroup:P1,id:mp-694044} |
| RD_774344191046_000 | computation | Reference Data From Materials Project: {formula:Ca(As2Rh3)2,spaceGroup:P-6m2,id:mp-16044} |
| RD_774737221990_000 | computation | Reference Data From Materials Project: {formula:Ca(RhO2)2,spaceGroup:Pmnb,id:mp-17998} |
| RD_774814751973_000 | computation | Reference Data From Materials Project: {formula:Li2Ca,spaceGroup:Fd-3m,id:mp-11644} |
| RD_774844936624_000 | computation | Reference Data From Materials Project: {formula:Ca4Nb2O9,spaceGroup:P2_1/c,id:mp-760244} |
| RD_775446138476_000 | computation | Reference Data From Materials Project: {formula:NaCa9Mg(PO4)7,spaceGroup:R3c,id:mp-9467} |
| RD_775489619054_000 | computation | Reference Data From Materials Project: {formula:Ca3Cr2(SiO4)3,spaceGroup:Ia-3d,id:mp-19599} |
| RD_776173376357_000 | computation | Reference Data From Materials Project: {formula:CaAlF5,spaceGroup:P2_1/c,id:mp-16795} |
| RD_776438650746_000 | computation | Reference Data From Materials Project: {formula:CaSnO3,spaceGroup:Pm-3m,id:mp-546910} |
| RD_776674161226_000 | computation | Reference Data From Materials Project: {formula:Ca3La3(BO3)5,spaceGroup:P6_3mc,id:mp-6709} |
| RD_777092322205_000 | computation | Reference Data From Materials Project: {formula:CaLaCd2,spaceGroup:Fm-3m,id:mp-866000} |
| RD_777231421434_000 | computation | Reference Data From Materials Project: {formula:Ca(CoAs)2,spaceGroup:I4/mmm,id:mp-569298} |
| RD_778214134312_000 | computation | Reference Data From Materials Project: {formula:Ca2Cu(BrO)2,spaceGroup:I4/mmm,id:mp-545481} |
| RD_779360413844_000 | computation | Reference Data From Materials Project: {formula:NaCa2LuSi2O7F2,spaceGroup:P1,id:mp-720948} |
| RD_779367172600_000 | computation | Reference Data From Materials Project: {formula:CaCoP2O7,spaceGroup:P-1,id:mp-18776} |
| RD_779484011390_000 | computation | CaMg in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_781227835424_000 | computation | Reference Data From Materials Project: {formula:Na13Ca7S12Cl2O48F,spaceGroup:P1,id:mp-693393} |
| RD_781615305526_000 | computation | Reference Data From Materials Project: {formula:Ca3N2,spaceGroup:P6_3/mmc,id:mp-13148} |
| RD_781710146911_000 | computation | Reference Data From Materials Project: {formula:CaAl2Si2(H2O5)2,spaceGroup:P2_1cn,id:mp-24603} |
| RD_782097639079_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:P2_1/c,id:mp-866521} |
| RD_782364253589_000 | computation | Reference Data From Materials Project: {formula:Ca2UO5,spaceGroup:P2_1/c,id:mp-17956} |
| RD_782367309014_000 | computation | Reference Data From Materials Project: {formula:NaCa3IrO6,spaceGroup:R-3c,id:mp-14563} |
| RD_782738387441_000 | computation | Reference Data From Materials Project: {formula:Cs2CaH4,spaceGroup:I4/mmm,id:mp-697133} |
| RD_782915076821_000 | computation | Reference Data From Materials Project: {formula:Ca(AlSe2)2,spaceGroup:Cccm,id:mp-36988} |
| RD_782959896917_000 | computation | Reference Data From Materials Project: {formula:Rb2CaH8(N3O)4,spaceGroup:Ccce,id:mp-730074} |
| RD_783217859135_000 | computation | Reference Data From Materials Project: {formula:Na3CaPCO7,spaceGroup:P2_1/m,id:mp-767552} |
| RD_783384505661_000 | computation | Reference Data From Materials Project: {formula:Ca5P12Ir19,spaceGroup:P-62m,id:mp-18360} |
| RD_783524770219_000 | computation | Reference Data From Materials Project: {formula:CaTe,spaceGroup:Pm-3m,id:mp-10684} |
| RD_783633437796_000 | computation | Reference Data From Materials Project: {formula:Ca(SiAu)2,spaceGroup:I4/mmm,id:mp-7364} |
| RD_783788887461_000 | computation | Reference Data From Materials Project: {formula:CaF2,spaceGroup:Fm-3m,id:mp-2741} |
| RD_784246133558_000 | computation | Reference Data From Materials Project: {formula:CaZn(GeO3)2,spaceGroup:C2/c,id:mp-12326} |
| RD_784313010870_000 | computation | Reference Data From Materials Project: {formula:CaGe2,spaceGroup:R-3m,id:mp-567456} |
| RD_784340463862_000 | computation | Reference Data From Materials Project: {formula:SrCaSn,spaceGroup:Pmnb,id:mp-20726} |
| RD_784837539315_000 | computation | Reference Data From Materials Project: {formula:Ca2NiOsO6,spaceGroup:P2_1/c,id:mp-510537} |
| RD_785646503747_000 | computation | Reference Data From Materials Project: {formula:Ca4As2O,spaceGroup:I4/mmm,id:mp-8789} |
| RD_786322148907_000 | computation | Reference Data From Materials Project: {formula:NaCaB5H16O17,spaceGroup:P-1,id:mp-698191} |
| RD_786322270059_000 | computation | Reference Data From Materials Project: {formula:Ca4Mg4Fe3H22,spaceGroup:P-43m,id:mp-644264} |
| RD_786728154371_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:P2/m,id:mp-753575} |
| RD_786762355458_000 | computation | Reference Data From Materials Project: {formula:RbCaCO3F,spaceGroup:P-62m,id:mp-867757} |
| RD_787185428406_000 | computation | Reference Data From Materials Project: {formula:Ca3Ga8,spaceGroup:Immm,id:mp-12611} |
| RD_787633493600_000 | computation | Reference Data From Materials Project: {formula:CaTaTc,spaceGroup:F-43m,id:mp-631395} |
| RD_787789912287_000 | computation | Reference Data From Materials Project: {formula:CaV5H19O23,spaceGroup:P-1,id:mp-775527} |
| RD_787901748238_000 | computation | Reference Data From Materials Project: {formula:CaHN,spaceGroup:I4mm,id:mp-34932} |
| RD_788440898879_000 | computation | Reference Data From Materials Project: {formula:Ca3SiH30CSO25,spaceGroup:P6_3,id:mp-541025} |
| RD_788759871748_000 | computation | Reference Data From Materials Project: {formula:Ca3N2,spaceGroup:P-3m1,id:mp-13146} |
| RD_788815362256_000 | computation | Reference Data From Materials Project: {formula:CaPt2,spaceGroup:Fd-3m,id:mp-842} |
| RD_788962539589_000 | computation | Reference Data From Materials Project: {formula:CaHg2,spaceGroup:P6/mmm,id:mp-11287} |
| RD_789427992492_000 | computation | Reference Data From Materials Project: {formula:Yb15(Ca7S12)4,spaceGroup:P1,id:mp-685526} |
| RD_789870532460_000 | computation | Reference Data From Materials Project: {formula:Na7Ca3Ta7Ti3O30,spaceGroup:P1,id:mp-695426} |
| RD_790053240428_000 | computation | Reference Data From Materials Project: {formula:CaBe3O4,spaceGroup:P-62c,id:mp-754739} |
| RD_790131098788_000 | computation | Reference Data From Materials Project: {formula:Ca(PO3)2,spaceGroup:P2_1/c,id:mp-5680} |
| RD_790191527313_000 | computation | Reference Data From Materials Project: {formula:Li2Ca3Be3Si3(O6F)2,spaceGroup:I2_13,id:mp-560036} |
| RD_790275753272_000 | computation | Reference Data From Materials Project: {formula:KCaCO3F,spaceGroup:P-6m2,id:mp-6867} |
| RD_790448815765_000 | computation | Reference Data From Materials Project: {formula:Ca5P12Rh19,spaceGroup:P-62m,id:mp-10582} |
| RD_790639379939_000 | computation | Reference Data From Materials Project: {formula:SrLi4Ca(SiO4)2,spaceGroup:Pbcm,id:mp-555089} |
| RD_790757060477_000 | computation | Reference Data From Materials Project: {formula:CaIn2Pt,spaceGroup:Cmcm,id:mp-21027} |
| RD_790904065657_000 | computation | Reference Data From Materials Project: {formula:Ca,spaceGroup:Fm-3m,id:mp-45} |
| RD_791397555337_000 | computation | Reference Data From Materials Project: {formula:Ca3SnS5,spaceGroup:Pcmn,id:mp-866863} |
| RD_792399472929_000 | computation | Reference Data From Materials Project: {formula:SrCaSi,spaceGroup:F-43m,id:mp-962057} |
| RD_793177860014_000 | computation | Reference Data From Materials Project: {formula:Ca2SnS4,spaceGroup:Pmcb,id:mp-866824} |
| RD_793372658722_000 | computation | Reference Data From Materials Project: {formula:CaTi4(FeO4)3,spaceGroup:Im3,id:mp-24950} |
| RD_793905522253_000 | computation | CaMg in AFLOW crystal prototype AB2_hP12_194_f_ah (MgZn2 Hexagonal Laves). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_794147478003_000 | computation | Reference Data From Materials Project: {formula:SrCaI4,spaceGroup:C2/m,id:mp-754730} |
| RD_794255184349_000 | computation | Reference Data From Materials Project: {formula:LiCa2InGe2,spaceGroup:Pmnb,id:mp-570850} |
| RD_794724960871_000 | computation | Reference Data From Materials Project: {formula:Ca5Dy3Ti5Mn3O24,spaceGroup:P1,id:mp-743698} |
| RD_794892764919_000 | computation | Reference Data From Materials Project: {formula:Ca3Ti2O7,spaceGroup:Cmc2_1,id:mp-4163} |
| RD_795065115322_000 | computation | Reference Data From Materials Project: {formula:KCaF3,spaceGroup:Pm-3m,id:mp-4950} |
| RD_795429505886_000 | computation | CaO in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_796476815666_000 | computation | Reference Data From Materials Project: {formula:Ca5Au4,spaceGroup:P2_1/c,id:mp-571264} |
| RD_796693183092_000 | computation | Reference Data From Materials Project: {formula:Ca4Te5O14,spaceGroup:Pcab,id:mp-680711} |
| RD_797172209812_000 | computation | Reference Data From Materials Project: {formula:Ba14Na7CaN6,spaceGroup:R-3c,id:mp-570449} |
| RD_798388341818_000 | computation | Reference Data From Materials Project: {formula:CaTa4O11,spaceGroup:P6_322,id:mp-3079} |
| RD_798407247884_000 | computation | Reference Data From Materials Project: {formula:CaAu5,spaceGroup:F-43m,id:mp-568920} |
| RD_798716156521_000 | computation | Reference Data From Materials Project: {formula:Ca3(PO4)2,spaceGroup:C2,id:mp-753711} |
| RD_798904561723_000 | computation | Reference Data From Materials Project: {formula:KCaP3H4O11,spaceGroup:P2_1/c,id:mp-706367} |
| RD_799084752829_000 | computation | Reference Data From Materials Project: {formula:Eu2CaO3,spaceGroup:Ccmm,id:mp-756336} |
| RD_799089924022_000 | computation | Reference Data From Materials Project: {formula:PmCaCd2,spaceGroup:Fm-3m,id:mp-862881} |
| RD_799202253506_000 | computation | Reference Data From Materials Project: {formula:Ca3W2O9,spaceGroup:Pnam,id:mp-772583} |
| RD_799465475259_000 | computation | Reference Data From Materials Project: {formula:Ca36Sn23,spaceGroup:P4/mbm,id:mp-568774} |
| RD_799558584552_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:P4_1,id:mp-866505} |
| RD_800589863130_000 | computation | Reference Data From Materials Project: {formula:CaMgHg2,spaceGroup:Fm-3m,id:mp-867144} |
| RD_800882054137_000 | computation | Reference Data From Materials Project: {formula:Ca3Pb,spaceGroup:Pm-3m,id:mp-30479} |
| RD_800907694349_000 | computation | Reference Data From Materials Project: {formula:CaPd2,spaceGroup:Fd-3m,id:mp-833} |
| RD_801235983680_000 | computation | Reference Data From Materials Project: {formula:Ca2Ga2Si(HO4)2,spaceGroup:P1,id:mp-677422} |
| RD_801251144981_000 | computation | Reference Data From Materials Project: {formula:Ca2Al2SiO7,spaceGroup:P-42_1m,id:mp-559691} |
| RD_802040545621_000 | computation | Reference Data From Materials Project: {formula:Ca3Ag8,spaceGroup:Im-3m,id:mp-646824} |
| RD_802126868347_000 | computation | Reference Data From Materials Project: {formula:Ca2MgB2H16(CO9)2,spaceGroup:P2_1/c,id:mp-707983} |
| RD_802290243575_000 | computation | Reference Data From Materials Project: {formula:Ca2(Fe2O3)11,spaceGroup:R32,id:mp-653005} |
| RD_802801345866_000 | computation | Reference Data From Materials Project: {formula:CaS,spaceGroup:Fm-3m,id:mp-1672} |
| RD_803614602083_000 | computation | Reference Data From Materials Project: {formula:Ca(PrS2)2,spaceGroup:I-42d,id:mp-34185} |
| RD_803672284082_000 | computation | Reference Data From Materials Project: {formula:CaF2,spaceGroup:Fm-3m,id:mp-2741} |
| RD_803680099493_000 | computation | Reference Data From Materials Project: {formula:Ca8Bi12O25,spaceGroup:P1,id:mp-707409} |
| RD_804183315328_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:C2/c,id:mp-866787} |
| RD_804817203931_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:P-3m1,id:mp-569912} |
| RD_805775334730_000 | computation | Reference Data From Materials Project: {formula:Ca(CO2)2,spaceGroup:P2/m,id:mp-558543} |
| RD_805814382588_000 | computation | Reference Data From Materials Project: {formula:CaV2O4,spaceGroup:Pmnb,id:mp-540837} |
| RD_805843043526_000 | computation | Reference Data From Materials Project: {formula:BaCa4(CuN2)2,spaceGroup:P4/ncc,id:mp-569603} |
| RD_806164229289_000 | computation | Reference Data From Materials Project: {formula:Ca2As,spaceGroup:I4/mmm,id:mp-10106} |
| RD_806577021578_000 | computation | Reference Data From Materials Project: {formula:PmCaPd2,spaceGroup:Fm-3m,id:mp-862884} |
| RD_807523434289_000 | computation | Reference Data From Materials Project: {formula:Ca4Zn2Cu3P5,spaceGroup:P6_3/mmc,id:mp-669391} |
| RD_808001247241_000 | computation | Reference Data From Materials Project: {formula:CaH2(CO2)2,spaceGroup:Pcab,id:mp-23685} |
| RD_808103694878_000 | computation | Reference Data From Materials Project: {formula:Ca3Ga3Ir2,spaceGroup:Pbnm,id:mp-31481} |
| RD_808176709510_000 | computation | Ca in AFLOW crystal prototype A_cF4_225_a (Face-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_808187461537_000 | computation | Reference Data From Materials Project: {formula:CaAgP,spaceGroup:F-43m,id:mp-961647} |
| RD_808429865103_000 | computation | Reference Data From Materials Project: {formula:Ca3(HO3)2,spaceGroup:C2/m,id:mp-675266} |
| RD_808458181403_000 | computation | Reference Data From Materials Project: {formula:CaCO3,spaceGroup:P6_522,id:mp-560265} |
| RD_808494916234_000 | computation | Reference Data From Materials Project: {formula:CaMgNiH4,spaceGroup:P2_13,id:mp-24052} |
| RD_809490559894_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:P-6m2,id:mp-567974} |
| RD_809796235259_000 | computation | Reference Data From Materials Project: {formula:CaF2,spaceGroup:Pmc2_1,id:mp-560030} |
| RD_810186934000_000 | computation | Reference Data From Materials Project: {formula:Ca3Fe2(SiO4)3,spaceGroup:Ia-3d,id:mp-19535} |
| RD_810321101131_000 | computation | Reference Data From Materials Project: {formula:CaHgPb,spaceGroup:P6_3/mmc,id:mp-20879} |
| RD_810343765494_000 | computation | Reference Data From Materials Project: {formula:Ca7NbSi2N9,spaceGroup:P2_1/m,id:mp-567722} |
| RD_810675655227_000 | computation | Reference Data From Materials Project: {formula:Ca2GaCu2,spaceGroup:Immm,id:mp-30472} |
| RD_811124741394_000 | computation | Reference Data From Materials Project: {formula:CaPbI4,spaceGroup:P2_1/c,id:mp-756136} |
| RD_811265272117_000 | computation | Reference Data From Materials Project: {formula:Ca3(GaNi)4,spaceGroup:I-43m,id:mp-11285} |
| RD_811983625005_000 | computation | Reference Data From Materials Project: {formula:Ca3(Bi2Pd)4,spaceGroup:Pmcb,id:mp-31278} |
| RD_812331295532_000 | computation | Reference Data From Materials Project: {formula:Ca3SiO5,spaceGroup:P6_3mc,id:mp-37657} |
| RD_812909110900_000 | computation | Reference Data From Materials Project: {formula:Ca14MnAs11,spaceGroup:Iba2,id:mp-532462} |
| RD_813285039512_000 | computation | Reference Data From Materials Project: {formula:CaInPd,spaceGroup:Pmnb,id:mp-620571} |
| RD_814017317664_000 | computation | Reference Data From Materials Project: {formula:Li6CaCeO6,spaceGroup:P-31c,id:mp-556301} |
| RD_814207595710_000 | computation | Reference Data From Materials Project: {formula:LiCa2Cd,spaceGroup:Fm-3m,id:mp-867803} |
| RD_814364799399_000 | computation | Reference Data From Materials Project: {formula:CaCu5,spaceGroup:P6/mmm,id:mp-1882} |
| RD_814366825509_000 | computation | Reference Data From Materials Project: {formula:CaPrAg2,spaceGroup:Fm-3m,id:mp-866060} |
| RD_814546833780_000 | computation | Reference Data From Materials Project: {formula:CaC2,spaceGroup:P-1,id:mp-642822} |
| RD_814740378272_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:R-3m,id:mp-570032} |
| RD_815142160399_000 | computation | Reference Data From Materials Project: {formula:CaGaAu3,spaceGroup:Pa3,id:mp-567485} |
| RD_815572191477_000 | computation | Ca in AFLOW crystal prototype A_hP1_191_a (Simple Hexagonal Lattice). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_815674197688_000 | computation | Reference Data From Materials Project: {formula:Ca3Ta2O8,spaceGroup:I4_1/a,id:mp-769266} |
| RD_816031607381_000 | computation | Reference Data From Materials Project: {formula:CsCa2Ta3O10,spaceGroup:P4/mmm,id:mp-10347} |
| RD_816350458333_000 | computation | Reference Data From Materials Project: {formula:Ca2HgPb,spaceGroup:Fm-3m,id:mp-866105} |
| RD_816453116276_000 | computation | Reference Data From Materials Project: {formula:CaTeO3,spaceGroup:P2_1,id:mp-17008} |
| RD_816892645033_000 | computation | Reference Data From Materials Project: {formula:CaIn4Ir,spaceGroup:Pmcm,id:mp-20838} |
| RD_817558124221_000 | computation | Reference Data From Materials Project: {formula:Ca28Ga11,spaceGroup:Im2m,id:mp-568793} |
| RD_817819742154_000 | computation | Reference Data From Materials Project: {formula:CaHoRh2,spaceGroup:Fm-3m,id:mp-866283} |
| RD_817983318955_000 | computation | Reference Data From Materials Project: {formula:Ca2In,spaceGroup:Pmnb,id:mp-20669} |
| RD_818172492687_000 | computation | Reference Data From Materials Project: {formula:CaPbO3,spaceGroup:Pbnm,id:mp-20079} |
| RD_818389861268_000 | computation | Reference Data From Materials Project: {formula:Ca(GeAu)2,spaceGroup:I4/mmm,id:mp-7883} |
| RD_818572576444_000 | computation | Reference Data From Materials Project: {formula:SrCa2I6,spaceGroup:P4_2/mnm,id:mp-755684} |
| RD_819394301345_000 | computation | Reference Data From Materials Project: {formula:Ca4Al6SO16,spaceGroup:I-43m,id:mp-14150} |
| RD_820600176646_000 | computation | Reference Data From Materials Project: {formula:Ca2PdAu,spaceGroup:Fm-3m,id:mp-863744} |
| RD_820813798179_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:Pbcn,id:mp-766317} |
| RD_820888775776_000 | computation | Reference Data From Materials Project: {formula:Ca10P6SeO24,spaceGroup:P-3,id:mp-17516} |
| RD_821191514296_000 | computation | Reference Data From Materials Project: {formula:Sr2CaMoO6,spaceGroup:Fm-3m,id:mp-18962} |
| RD_821214923838_000 | computation | Reference Data From Materials Project: {formula:CaAg,spaceGroup:Ccmm,id:mp-538} |
| RD_821299807256_000 | computation | Reference Data From Materials Project: {formula:Li2CaSi,spaceGroup:Fm-3m,id:mp-865965} |
| RD_821313504036_000 | computation | Reference Data From Materials Project: {formula:Ca19In8N7,spaceGroup:Fm-3m,id:mp-642331} |
| RD_821432399107_000 | computation | Reference Data From Materials Project: {formula:Ca(FeO2)2,spaceGroup:Pmnb,id:mp-645127} |
| RD_821533353451_000 | computation | Reference Data From Materials Project: {formula:Ca5(InSb3)2,spaceGroup:Pmcb,id:mp-649479} |
| RD_821680696439_000 | computation | Reference Data From Materials Project: {formula:Ca,spaceGroup:P6_3/mmc,id:mp-132} |
| RD_821887852411_000 | computation | Reference Data From Materials Project: {formula:Ca3Zn3(TeO6)2,spaceGroup:I4_132,id:mp-555961} |
| RD_822039310992_000 | computation | Reference Data From Materials Project: {formula:CaMg2N2,spaceGroup:P-3m1,id:mp-5795} |
| RD_822481227123_000 | computation | CaSi in AFLOW crystal prototype AB_oC8_63_c_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_822553994562_000 | computation | Reference Data From Materials Project: {formula:CaZr4(PO4)6,spaceGroup:R-3,id:mp-556440} |
| RD_822894303908_000 | computation | Reference Data From Materials Project: {formula:CaBi3,spaceGroup:Pm-3m,id:mp-866006} |
| RD_822968087865_000 | computation | Reference Data From Materials Project: {formula:Ca5As4(HO2)10,spaceGroup:C2/c,id:mp-24436} |
| RD_823666139574_000 | computation | Reference Data From Materials Project: {formula:CaDyRh2,spaceGroup:Fm-3m,id:mp-866216} |
| RD_824439681368_000 | computation | CaSi in AFLOW crystal prototype AB2_hP3_191_a_d (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_824445916981_000 | computation | Reference Data From Materials Project: {formula:CaCeAg2,spaceGroup:Fm-3m,id:mp-865460} |
| RD_824493064712_000 | computation | Reference Data From Materials Project: {formula:Ca2La2MgTi3O12,spaceGroup:P2_1/c,id:mp-676461} |
| RD_824525219071_000 | computation | Reference Data From Materials Project: {formula:Ca7Cu(PtO6)2,spaceGroup:C2,id:mp-560453} |
| RD_824927606467_000 | computation | Reference Data From Materials Project: {formula:CaLaMnMoO6,spaceGroup:Pc,id:mp-705412} |
| RD_824976504077_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:Ic2m,id:mp-866845} |
| RD_825290523430_000 | computation | Reference Data From Materials Project: {formula:CaSi2,spaceGroup:P6/mmm,id:mp-12892} |
| RD_825906347438_000 | computation | Reference Data From Materials Project: {formula:K2CaH2S2O9,spaceGroup:P2_1/m,id:mp-23723} |
| RD_826141067449_000 | computation | Reference Data From Materials Project: {formula:Ca3CuIrO6,spaceGroup:C2/c,id:mp-505151} |
| RD_826261251563_000 | computation | Reference Data From Materials Project: {formula:CaVNiP2O9,spaceGroup:Pmcn,id:mp-25785} |
| RD_826303271449_000 | computation | CaZn in AFLOW crystal prototype A5B3_tI32_140_cl_ah (Cr5B3). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_826334933375_000 | computation | Reference Data From Materials Project: {formula:CaO,spaceGroup:Fm-3m,id:mp-2605} |
| RD_826815102338_000 | computation | Reference Data From Materials Project: {formula:CaGeO3,spaceGroup:I4_1/a,id:mp-554549} |
| RD_826819453670_000 | computation | Reference Data From Materials Project: {formula:CaCdSn,spaceGroup:P-62m,id:mp-568695} |
| RD_827081937058_000 | computation | Reference Data From Materials Project: {formula:Ca2Mn3P3H6O17,spaceGroup:P2_1/c,id:mp-735626} |
| RD_827840895890_000 | computation | Reference Data From Materials Project: {formula:CaAgAs,spaceGroup:P-62m,id:mp-5615} |
| RD_827896306079_000 | computation | Reference Data From Materials Project: {formula:Ca2Si,spaceGroup:Pmnb,id:mp-2517} |
| RD_828407293964_000 | computation | Reference Data From Materials Project: {formula:CaBi2O5,spaceGroup:C2/c,id:mp-772874} |
| RD_829104088370_000 | computation | Reference Data From Materials Project: {formula:CaPd,spaceGroup:Pm-3m,id:mp-213} |
| RD_829764630613_000 | computation | Reference Data From Materials Project: {formula:Ca16MgAl14Si9O56,spaceGroup:P1,id:mp-686347} |
| RD_829914671894_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:P4_2/mnm,id:mp-756131} |
| RD_830169130779_000 | computation | Reference Data From Materials Project: {formula:Ca3(SiIr)4,spaceGroup:I-43m,id:mp-11176} |
| RD_830254627503_000 | computation | Reference Data From Materials Project: {formula:NaCa3Fe4(SiO3)8,spaceGroup:C2,id:mp-705483} |
| RD_830860620995_000 | computation | Reference Data From Materials Project: {formula:BaCaCO3,spaceGroup:P6_3mc,id:mp-696695} |
| RD_830932982725_000 | computation | Reference Data From Materials Project: {formula:Ca8V7ZnBiO28,spaceGroup:Cc,id:mp-743771} |
| RD_832162799544_000 | computation | Reference Data From Materials Project: {formula:CaAgP,spaceGroup:P-62m,id:mp-12277} |
| RD_832317696480_000 | computation | Reference Data From Materials Project: {formula:PmCaZn2,spaceGroup:Fm-3m,id:mp-862888} |
| RD_832609565668_000 | computation | Reference Data From Materials Project: {formula:CaPdPb,spaceGroup:P-62m,id:mp-672254} |
| RD_833007006413_000 | computation | Reference Data From Materials Project: {formula:Ca7GeN6,spaceGroup:Pcan,id:mp-570555} |
| RD_833450465206_000 | computation | Reference Data From Materials Project: {formula:Ca2MgWO6,spaceGroup:P2_1/c,id:mp-19324} |
| RD_833506302582_000 | computation | Reference Data From Materials Project: {formula:CaNiTe,spaceGroup:F-43m,id:mp-961667} |
| RD_833938210918_000 | computation | Reference Data From Materials Project: {formula:CaLaMnFeO6,spaceGroup:Pc,id:mp-40066} |
| RD_834016364964_000 | computation | Reference Data From Materials Project: {formula:Ca(ZnSb)2,spaceGroup:P-3m1,id:mp-7429} |
| RD_834391492527_000 | computation | Reference Data From Materials Project: {formula:CaAg2Sn,spaceGroup:Fm-3m,id:mp-865729} |
| RD_834392893824_000 | computation | Reference Data From Materials Project: {formula:CaSn2Ir,spaceGroup:Cmcm,id:mp-11957} |
| RD_834639020511_000 | computation | Reference Data From Materials Project: {formula:Ca3Sn2S7,spaceGroup:Ccmm,id:mp-866827} |
| RD_834854713529_000 | computation | Reference Data From Materials Project: {formula:Na3CaFe4(SiO3)8,spaceGroup:C2,id:mp-698686} |
| RD_834903466435_000 | computation | Reference Data From Materials Project: {formula:CaGa4,spaceGroup:C2/m,id:mp-2461} |
| RD_835457962787_000 | computation | Reference Data From Materials Project: {formula:CaIn2,spaceGroup:P6_3/mmc,id:mp-21068} |
| RD_835545916969_000 | computation | Reference Data From Materials Project: {formula:CaTa2Bi2O9,spaceGroup:I4/mmm,id:mp-556848} |
| RD_835547449558_000 | computation | Reference Data From Materials Project: {formula:CaGd2Zr(GaO3)4,spaceGroup:P-1,id:mp-686296} |
| RD_835739954121_000 | computation | Reference Data From Materials Project: {formula:KCa9Mn(PO4)7,spaceGroup:R3c,id:mp-566697} |
| RD_836636236513_000 | computation | Reference Data From Materials Project: {formula:Ca3TlN,spaceGroup:Pm-3m,id:mp-10554} |
| RD_837086309806_000 | computation | Reference Data From Materials Project: {formula:Ca3InAu3,spaceGroup:Pmcn,id:mp-606503} |
| RD_837604421531_000 | computation | Reference Data From Materials Project: {formula:CaAl2Si2(H2O5)2,spaceGroup:Cmcm,id:mp-699257} |
| RD_838393485434_000 | computation | Reference Data From Materials Project: {formula:NaCaAu2,spaceGroup:Fm-3m,id:mp-865082} |
| RD_838418715960_000 | computation | Reference Data From Materials Project: {formula:CaH8(NO5)2,spaceGroup:P2_1/c,id:mp-559136} |
| RD_838616839722_000 | computation | Reference Data From Materials Project: {formula:Ca2Zn2CuP3,spaceGroup:P6_3/mmc,id:mp-571306} |
| RD_838624270747_000 | computation | Reference Data From Materials Project: {formula:NaCaScZn(SiO3)4,spaceGroup:P2/c,id:mp-684991} |
| RD_838961942622_000 | computation | Reference Data From Materials Project: {formula:CaSbAu,spaceGroup:P6_3/mmc,id:mp-16245} |
| RD_839276609023_000 | computation | Reference Data From Materials Project: {formula:CaPHO4,spaceGroup:P1,id:mp-24390} |
| RD_839456060580_000 | computation | Reference Data From Materials Project: {formula:CaAl2O4,spaceGroup:P2_1/c,id:mp-2963} |
| RD_840193533851_000 | computation | Reference Data From Materials Project: {formula:Ca4Bi6O13,spaceGroup:P1,id:mp-674646} |
| RD_840354681622_000 | computation | Reference Data From Materials Project: {formula:CaH8(BrO6)2,spaceGroup:P-1,id:mp-745067} |
| RD_840885443674_000 | computation | Reference Data From Materials Project: {formula:Ca3(AlSi)2,spaceGroup:Immm,id:mp-9577} |
| RD_841337491651_000 | computation | Reference Data From Materials Project: {formula:CaP4(HO6)2,spaceGroup:P2_1/c,id:mp-697657} |
| RD_842203728718_000 | computation | Reference Data From Materials Project: {formula:Rb2Ca2(SO4)3,spaceGroup:P2_13,id:mp-558752} |
| RD_842504745547_000 | computation | Reference Data From Materials Project: {formula:Ca2FeP2(H2O3)4,spaceGroup:P-1,id:mp-780935} |
| RD_842543683101_000 | computation | Reference Data From Materials Project: {formula:CaTeO3,spaceGroup:P-1,id:mp-2981} |
| RD_842570728678_000 | computation | Reference Data From Materials Project: {formula:LiCaCoF6,spaceGroup:P-31c,id:mp-555529} |
| RD_842643291962_000 | computation | Reference Data From Materials Project: {formula:Na3CaPCO7,spaceGroup:P2_1,id:mp-771324} |
| RD_843045415681_000 | computation | Reference Data From Materials Project: {formula:Ca2AuN,spaceGroup:Ccmm,id:mp-29175} |
| RD_843330737890_000 | computation | Reference Data From Materials Project: {formula:CaBe13,spaceGroup:Fm-3c,id:mp-1845} |
| RD_843500740530_000 | computation | Reference Data From Materials Project: {formula:CaV2O6,spaceGroup:C2/m,id:mp-32526} |
| RD_843666342541_000 | computation | Reference Data From Materials Project: {formula:CaZnSi,spaceGroup:P6_3/mmc,id:mp-16266} |
| RD_845110099107_000 | computation | Ca in AFLOW crystal prototype A_cI2_229_a (Body-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_845654179177_000 | computation | Reference Data From Materials Project: {formula:Ca3AsN,spaceGroup:Pnam,id:mp-4192} |
| RD_846240538280_000 | computation | Reference Data From Materials Project: {formula:CaSnS3,spaceGroup:P6_3/mmc,id:mp-866833} |
| RD_846267062735_000 | computation | Reference Data From Materials Project: {formula:CaAlSi,spaceGroup:P6_3/mmc,id:mp-570150} |
| RD_846320053310_000 | computation | Reference Data From Materials Project: {formula:Ca2TiSiO6,spaceGroup:Fm-3m,id:mp-9413} |
| RD_846434594344_000 | computation | Reference Data From Materials Project: {formula:Ca3CrN3,spaceGroup:Ccmm,id:mp-8670} |
| RD_846596118143_000 | computation | Reference Data From Materials Project: {formula:Ca(CdSb)2,spaceGroup:P-3m1,id:mp-7430} |
| RD_846882519832_000 | computation | Reference Data From Materials Project: {formula:Na3CaAl3Si3CO15,spaceGroup:P6_3,id:mp-705635} |
| RD_847257922808_000 | computation | Reference Data From Materials Project: {formula:Sr2CaI6,spaceGroup:P2_1/c,id:mp-768734} |
| RD_847313453458_000 | computation | CaSi in AFLOW crystal prototype AB_oC8_63_c_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_847589321459_000 | computation | Reference Data From Materials Project: {formula:EuCaIn2,spaceGroup:Fm-3m,id:mp-865553} |
| RD_847667777958_000 | computation | Reference Data From Materials Project: {formula:Ca3Al2(HO)12,spaceGroup:Ia-3d,id:mp-23882} |
| RD_847758858486_000 | computation | Reference Data From Materials Project: {formula:Ca10Ta3Ti4Al3(SiO5)10,spaceGroup:P-1,id:mp-534838} |
| RD_847837926003_000 | computation | Reference Data From Materials Project: {formula:Yb3Ca5Ti5Mn3O24,spaceGroup:P1,id:mp-698722} |
| RD_848136430523_000 | computation | Reference Data From Materials Project: {formula:CaPrO3,spaceGroup:Pbnm,id:mp-756708} |
| RD_849527881875_000 | computation | Reference Data From Materials Project: {formula:CaBi2B2O7,spaceGroup:Pbnm,id:mp-557371} |
| RD_850030189575_000 | computation | Reference Data From Materials Project: {formula:CaCd2,spaceGroup:P6_3/mmc,id:mp-1078} |
| RD_850377220718_000 | computation | Reference Data From Materials Project: {formula:Ca2Nb2O7,spaceGroup:P2_1,id:mp-13979} |
| RD_851106735695_000 | computation | Reference Data From Materials Project: {formula:CaCr2Cu3(SbO6)2,spaceGroup:Pn3,id:mp-510534} |
| RD_851309555958_000 | computation | Reference Data From Materials Project: {formula:Ca2As3,spaceGroup:P2/c,id:mp-31010} |
| RD_852368715966_000 | computation | Reference Data From Materials Project: {formula:Ca3Mg(SiO4)2,spaceGroup:P2_1/c,id:mp-558209} |
| RD_852907664323_000 | computation | Reference Data From Materials Project: {formula:NaCaAl3(SiO4)3,spaceGroup:P1,id:mp-677223} |
| RD_853519824990_000 | computation | Reference Data From Materials Project: {formula:Ca(AlCl4)2,spaceGroup:I4_1/acd,id:mp-570703} |
| RD_854325167661_000 | computation | Reference Data From Materials Project: {formula:Ca5Hg3,spaceGroup:I4/mcm,id:mp-31154} |
| RD_854593098654_000 | computation | Reference Data From Materials Project: {formula:CaFeSn(PO4)3,spaceGroup:R3c,id:mp-743601} |
| RD_854638987585_000 | computation | Reference Data From Materials Project: {formula:CaCdAu2,spaceGroup:Fm-3m,id:mp-866010} |
| RD_854749784041_000 | computation | Reference Data From Materials Project: {formula:CaPAu,spaceGroup:P6_3/mmc,id:mp-10677} |
| RD_855409771814_000 | computation | Reference Data From Materials Project: {formula:Ca14MnBi11,spaceGroup:I4_1/acd,id:mp-570149} |
| RD_855846614925_000 | computation | Reference Data From Materials Project: {formula:CaSi2,spaceGroup:P-3m1,id:mp-8372} |
| RD_856014858105_000 | computation | Reference Data From Materials Project: {formula:CaZn5,spaceGroup:P6/mmm,id:mp-1734} |
| RD_856102617830_000 | computation | Reference Data From Materials Project: {formula:SrCa2I6,spaceGroup:Pbcn,id:mp-780396} |
| RD_856273235110_000 | computation | Reference Data From Materials Project: {formula:NaCa2Al4H8C4ClO20,spaceGroup:P4/nmm,id:mp-698491} |
| RD_856510754237_000 | computation | Reference Data From Materials Project: {formula:Ca2P2H4O9,spaceGroup:P-1,id:mp-706426} |
| RD_856660968071_000 | computation | Reference Data From Materials Project: {formula:Ca3(BO3)2,spaceGroup:R-3c,id:mp-3575} |
| RD_856662067928_000 | computation | Reference Data From Materials Project: {formula:LiCa2Tl,spaceGroup:Fm-3m,id:mp-867167} |
| RD_857268359139_000 | computation | Reference Data From Materials Project: {formula:Ca4Mn3B3CO15,spaceGroup:P6_3,id:mp-566589} |
| RD_857877840960_000 | computation | Reference Data From Materials Project: {formula:Ca3MnN3,spaceGroup:Ccmm,id:mp-14763} |
| RD_858588140697_000 | computation | Reference Data From Materials Project: {formula:Yb2CaS4,spaceGroup:I-42d,id:mp-675650} |
| RD_858690585958_000 | computation | Reference Data From Materials Project: {formula:Ca10(Al2Ge3)3,spaceGroup:R-3m,id:mp-570487} |
| RD_859067944077_000 | computation | Reference Data From Materials Project: {formula:Ca4LaB3O10,spaceGroup:Cm,id:mp-6076} |
| RD_859884882616_000 | computation | CaCd in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 2} |
| RD_860570488488_000 | computation | Reference Data From Materials Project: {formula:CaCdGe,spaceGroup:P-62m,id:mp-16258} |
| RD_860726516698_000 | computation | Reference Data From Materials Project: {formula:CaPt5,spaceGroup:P6/mmm,id:mp-30481} |
| RD_860733496915_000 | computation | Reference Data From Materials Project: {formula:Ca3Ta4(O6F)2,spaceGroup:P4_332,id:mp-560378} |
| RD_861013946728_000 | computation | Reference Data From Materials Project: {formula:Sr2CaWO6,spaceGroup:Pmnm,id:mp-18742} |
| RD_861083995850_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca7I18,spaceGroup:P-1,id:mp-766303} |
| RD_861599298410_000 | computation | Reference Data From Materials Project: {formula:Ca6HfO8,spaceGroup:Fm-3m,id:mp-755421} |
| RD_861743891383_000 | computation | Reference Data From Materials Project: {formula:Ca11Cr7O28,spaceGroup:R3c,id:mp-694886} |
| RD_862724834448_000 | computation | Reference Data From Materials Project: {formula:KCaF3,spaceGroup:Pm-3m,id:mp-4950} |
| RD_862992665618_000 | computation | Reference Data From Materials Project: {formula:Ca(PIr)2,spaceGroup:P3_221,id:mp-11168} |
| RD_863173776951_000 | computation | Reference Data From Materials Project: {formula:CaMgB6H12O17,spaceGroup:P2/c,id:mp-781555} |
| RD_863322902310_000 | computation | Reference Data From Materials Project: {formula:PmCaPd2,spaceGroup:Fm-3m,id:mp-862884} |
| RD_863445798956_000 | computation | Reference Data From Materials Project: {formula:Ca2MgSi2O7,spaceGroup:P2_1/c,id:mp-559083} |
| RD_863506837995_000 | computation | Reference Data From Materials Project: {formula:Ca3SiBr2,spaceGroup:R3m,id:mp-570142} |
| RD_863663406622_000 | computation | Reference Data From Materials Project: {formula:Ca5DyTi5Fe(SiO5)6,spaceGroup:P1,id:mp-743624} |
| RD_863793912434_000 | computation | Reference Data From Materials Project: {formula:Ba2CaOsO6,spaceGroup:Fm-3m,id:mp-6739} |
| RD_864123038611_000 | computation | Reference Data From Materials Project: {formula:Ca4I6O,spaceGroup:P6_3mc,id:mp-755949} |
| RD_865714344920_000 | computation | Reference Data From Materials Project: {formula:CaCr2Cu3(SbO6)2,spaceGroup:Pn3,id:mp-510534} |
| RD_866180233614_000 | computation | Reference Data From Materials Project: {formula:CaSiO3,spaceGroup:P2_1/c,id:mp-649676} |
| RD_866256598290_000 | computation | Reference Data From Materials Project: {formula:Sr2CaIrO6,spaceGroup:P2_1/c,id:mp-15002} |
| RD_867685081541_000 | computation | Reference Data From Materials Project: {formula:Ca11Sb10,spaceGroup:I4/mmm,id:mp-12241} |
| RD_868725739276_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_870271304392_000 | computation | Reference Data From Materials Project: {formula:Ca5P8,spaceGroup:C2/m,id:mp-28879} |
| RD_870458556503_000 | computation | Reference Data From Materials Project: {formula:Ca5CuPb3,spaceGroup:P6_3/mcm,id:mp-680754} |
| RD_870804907561_000 | computation | Reference Data From Materials Project: {formula:Ca(Ni2Sn)2,spaceGroup:I4/mcm,id:mp-510484} |
| RD_870933815858_000 | computation | Reference Data From Materials Project: {formula:Ca3Sc2(GeO4)3,spaceGroup:Ia-3d,id:mp-21989} |
| RD_871643037880_000 | computation | Reference Data From Materials Project: {formula:Na4CaFe4(PO4)6,spaceGroup:C2,id:mp-694917} |
| RD_871671199316_000 | computation | Reference Data From Materials Project: {formula:CaGd2O4,spaceGroup:Pnam,id:mp-776418} |
| RD_871742396498_000 | computation | Ca in AFLOW crystal prototype A_hP2_194_c (Hexagonal Close Packed). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_872513006838_000 | computation | Reference Data From Materials Project: {formula:Ca2P6O17,spaceGroup:P2_1,id:mp-758337} |
| RD_872817228120_000 | computation | CaSi in AFLOW crystal prototype AB_oC8_63_c_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_872835880406_000 | computation | Reference Data From Materials Project: {formula:CaMg2,spaceGroup:P6_3/mmc,id:mp-2432} |
| RD_873072291572_000 | computation | Reference Data From Materials Project: {formula:Ca19(Mg4H27)2,spaceGroup:Im3,id:mp-734733} |
| RD_873280258043_000 | computation | Reference Data From Materials Project: {formula:Ca(HO)2,spaceGroup:P-3m1,id:mp-23879} |
| RD_873784868555_000 | computation | Reference Data From Materials Project: {formula:Rb2CaH4,spaceGroup:I4/mmm,id:mp-24517} |
| RD_874497241380_000 | computation | Reference Data From Materials Project: {formula:Ca6Ga6Si3(HO12)2,spaceGroup:P1,id:mp-686681} |
| RD_875024456648_000 | computation | Reference Data From Materials Project: {formula:Ca3BiN,spaceGroup:Pm-3m,id:mp-31149} |
| RD_875172140612_000 | computation | Reference Data From Materials Project: {formula:Ca3MnZnO6,spaceGroup:R-3c,id:mp-19224} |
| RD_875895016673_000 | computation | Reference Data From Materials Project: {formula:K2Ca(CO3)2,spaceGroup:R-3m,id:mp-6494} |
| RD_876485325322_000 | computation | Reference Data From Materials Project: {formula:CaAl2O4,spaceGroup:P6_3,id:mp-559390} |
| RD_876500405568_000 | computation | Reference Data From Materials Project: {formula:Ca4Mn3B3CO15,spaceGroup:P6_3,id:mp-566589} |
| RD_876747328377_000 | computation | Reference Data From Materials Project: {formula:Ca10La6Mg3Ti13O48,spaceGroup:P1,id:mp-695254} |
| RD_876758830208_000 | computation | Reference Data From Materials Project: {formula:KCa4B22H18ClO46,spaceGroup:P1,id:mp-722344} |
| RD_877065782674_000 | computation | Reference Data From Materials Project: {formula:Ca2Mn3O8,spaceGroup:C2/m,id:mp-18893} |
| RD_877328608301_000 | computation | Reference Data From Materials Project: {formula:CaC2S2(OF)6,spaceGroup:R-3,id:mp-39536} |
| RD_877648579920_000 | computation | Reference Data From Materials Project: {formula:Ca(Cu2P)2,spaceGroup:P4_2/mnm,id:mp-22295} |
| RD_877729168337_000 | computation | Reference Data From Materials Project: {formula:Ca9Zn4Sb9,spaceGroup:Pmcb,id:mp-21594} |
| RD_878251597662_000 | computation | CaSi in AFLOW crystal prototype AB2_hR6_166_c_2c (CaSi2). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_878594977392_000 | computation | Reference Data From Materials Project: {formula:LiCaBO3,spaceGroup:Pcab,id:mp-561237} |
| RD_879385984130_000 | computation | Reference Data From Materials Project: {formula:CaNdMn2O6,spaceGroup:Pm,id:mp-743266} |