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_397584704738_000 | computation | Reference Data From Materials Project: {formula:H22RuN7(ClO2)4,spaceGroup:Cm,id:mp-695295} |
| RD_398460051932_000 | computation | Reference Data From Materials Project: {formula:Sr5P3ClO12,spaceGroup:P6_3/m,id:mp-23121} |
| RD_398929357411_000 | computation | Reference Data From Materials Project: {formula:CoH18C4N8(ClO)4,spaceGroup:P2_1/c,id:mp-744629} |
| RD_399673390451_000 | computation | Reference Data From Materials Project: {formula:CdH16C4S4(N4Cl)2,spaceGroup:P4_2/n,id:mp-699261} |
| RD_399802232646_000 | computation | Reference Data From Materials Project: {formula:YClO,spaceGroup:R-3m,id:mp-552120} |
| RD_401069439807_000 | computation | Reference Data From Materials Project: {formula:Cs(BCl)6,spaceGroup:R-3,id:mp-570530} |
| RD_402372544655_000 | computation | Reference Data From Materials Project: {formula:La2ThTa(ClO2)3,spaceGroup:Pm,id:mp-706869} |
| RD_402606527982_000 | computation | Reference Data From Materials Project: {formula:TaP4(SCl)5,spaceGroup:P-1,id:mp-560192} |
| RD_402873924229_000 | computation | Reference Data From Materials Project: {formula:Sc(ClO4)3,spaceGroup:P6_3/m,id:mp-769148} |
| RD_403244376514_000 | computation | Reference Data From Materials Project: {formula:CuH6Se2NClO6,spaceGroup:Pnma,id:mp-707509} |
| RD_403745387129_000 | computation | Reference Data From Materials Project: {formula:KCd6H4C12ClO26,spaceGroup:P1,id:mp-720082} |
| RD_404086864790_000 | computation | Reference Data From Materials Project: {formula:TmBi2ClO4,spaceGroup:P4/mmm,id:mp-546082} |
| RD_404910503315_000 | computation | Reference Data From Materials Project: {formula:K2PdN2(ClO2)2,spaceGroup:P1,id:mp-613733} |
| RD_405004668498_000 | computation | Reference Data From Materials Project: {formula:RbVCl3,spaceGroup:P6_3/mmc,id:mp-23319} |
| RD_405392132234_000 | computation | Reference Data From Materials Project: {formula:V3Pb5ClO12,spaceGroup:P6_3/m,id:mp-628782} |
| RD_405525673784_000 | computation | Reference Data From Materials Project: {formula:FeCl3,spaceGroup:P312,id:mp-583463} |
| RD_405543681122_000 | computation | Reference Data From Materials Project: {formula:CaSmCuClO3,spaceGroup:P4/nmm,id:mp-620364} |
| RD_406284712134_000 | computation | Reference Data From Materials Project: {formula:TlGaCl4,spaceGroup:Pmcn,id:mp-570609} |
| RD_406361034030_000 | computation | Reference Data From Materials Project: {formula:Eu4Cl6O,spaceGroup:P6_3mc,id:mp-28546} |
| RD_406952691143_000 | computation | Reference Data From Materials Project: {formula:Sm2MnTe5Cl2O13,spaceGroup:P2_1/c,id:mp-565356} |
| RD_407352570325_000 | computation | Reference Data From Materials Project: {formula:Hg3PClO4,spaceGroup:P2_13,id:mp-558585} |
| RD_408535726758_000 | computation | Reference Data From Materials Project: {formula:Al2CoCl8,spaceGroup:C2/c,id:mp-756318} |
| RD_408602910840_000 | computation | Reference Data From Materials Project: {formula:AsC4S2Cl2O2F13,spaceGroup:P2_1/c,id:mp-560424} |
| RD_408731844461_000 | computation | Reference Data From Materials Project: {formula:H3ClO5,spaceGroup:Pnma,id:mp-625159} |
| RD_409715483540_000 | computation | Reference Data From Materials Project: {formula:Rb2PbCl6,spaceGroup:Fm-3m,id:mp-23475} |
| RD_409781751099_000 | computation | Reference Data From Materials Project: {formula:Cs5Nb2S4Cl9,spaceGroup:Immm,id:mp-621112} |
| RD_410144596610_000 | computation | Reference Data From Materials Project: {formula:Ba7(ClF6)2,spaceGroup:P-6,id:mp-23547} |
| RD_411082355072_000 | computation | Reference Data From Materials Project: {formula:GdSClO4,spaceGroup:P2_1/c,id:mp-558122} |
| RD_411223365673_000 | computation | Reference Data From Materials Project: {formula:FeH2C4N4Cl6O,spaceGroup:Pba2,id:mp-743856} |
| RD_411980090454_000 | computation | Reference Data From Materials Project: {formula:Na2BH4ClO4,spaceGroup:P4/nmm,id:mp-690684} |
| RD_412291050288_000 | computation | Reference Data From Materials Project: {formula:SbN3Cl4,spaceGroup:P2_1/c,id:mp-27351} |
| RD_412664400848_000 | computation | Reference Data From Materials Project: {formula:K2WCl6,spaceGroup:Fm-3m,id:mp-568914} |
| RD_412666878715_000 | computation | Reference Data From Materials Project: {formula:K2Cu5H8(Cl4O3)2,spaceGroup:P2_1/c,id:mp-707879} |
| RD_412797014679_000 | computation | Reference Data From Materials Project: {formula:Dy3S2Cl5,spaceGroup:Pbnm,id:mp-30157} |
| RD_412920533820_000 | computation | Reference Data From Materials Project: {formula:SbCl3F2,spaceGroup:I4,id:mp-560748} |
| RD_413587377452_000 | computation | Reference Data From Materials Project: {formula:In5S5Cl,spaceGroup:P2_1/m,id:mp-31263} |
| RD_413645722049_000 | computation | Reference Data From Materials Project: {formula:CsMn4Cl9,spaceGroup:I4_1/a,id:mp-567499} |
| RD_414149609541_000 | computation | Reference Data From Materials Project: {formula:MoPb3Cl2O5,spaceGroup:Cmcm,id:mp-566692} |
| RD_414411156907_000 | computation | Reference Data From Materials Project: {formula:NaW6NCl18,spaceGroup:P6_3/m,id:mp-569050} |
| RD_414853727450_000 | computation | Reference Data From Materials Project: {formula:WSNCl5,spaceGroup:P2_1/c,id:mp-558716} |
| RD_415201577220_000 | computation | Reference Data From Materials Project: {formula:TiCl3,spaceGroup:P-31c,id:mp-567330} |
| RD_415250706793_000 | computation | Reference Data From Materials Project: {formula:Ca2SiCl2O3,spaceGroup:I4,id:mp-556364} |
| RD_415373824126_000 | computation | Reference Data From Materials Project: {formula:TiHg6P4Cl7,spaceGroup:Pa3,id:mp-570405} |
| RD_415428428383_000 | computation | Reference Data From Materials Project: {formula:Tb(AlCl4)3,spaceGroup:P3_112,id:mp-29844} |
| RD_415900957073_000 | computation | Reference Data From Materials Project: {formula:Ba6Nb2Ir(ClO6)2,spaceGroup:P-3m1,id:mp-558113} |
| RD_416009326939_000 | computation | Reference Data From Materials Project: {formula:Cs2LiYCl6,spaceGroup:Fm-3m,id:mp-567652} |
| RD_416224122905_000 | computation | Reference Data From Materials Project: {formula:TlMo2Cl7O2,spaceGroup:Pmnm,id:mp-621182} |
| RD_416424068106_000 | computation | Reference Data From Materials Project: {formula:Cs(WCl3)3,spaceGroup:P-3,id:mp-568039} |
| RD_417377017719_000 | computation | Reference Data From Materials Project: {formula:TiCl3,spaceGroup:P-31m,id:mp-567354} |
| RD_417766873505_000 | computation | Reference Data From Materials Project: {formula:Li2CrCl4,spaceGroup:P1,id:mp-685992} |
| RD_417860941326_000 | computation | Reference Data From Materials Project: {formula:As3Pb5ClO12,spaceGroup:P2_1/c,id:mp-566301} |
| RD_418305631273_000 | computation | Reference Data From Materials Project: {formula:Cs3MnCl5,spaceGroup:I4/mcm,id:mp-504451} |
| RD_418667538184_000 | computation | Reference Data From Materials Project: {formula:SbHC3(NCl3)3,spaceGroup:P2_1/c,id:mp-705514} |
| RD_418923454860_000 | computation | Reference Data From Materials Project: {formula:FeSeCl7,spaceGroup:P1,id:mp-28189} |
| RD_419855462830_000 | computation | Reference Data From Materials Project: {formula:Ca4Si6Pb6Cl2O21,spaceGroup:P6_3/m,id:mp-558268} |
| RD_420809612196_000 | computation | Reference Data From Materials Project: {formula:Zr6CoCl15,spaceGroup:Im-3m,id:mp-28734} |
| RD_421117685711_000 | computation | Reference Data From Materials Project: {formula:RbZnSClO4,spaceGroup:P2_1/c,id:mp-559540} |
| RD_421144268368_000 | computation | Reference Data From Materials Project: {formula:CsK(ClO4)2,spaceGroup:R-3m,id:mp-554015} |
| RD_421977060844_000 | computation | Reference Data From Materials Project: {formula:SbCSCl2F9,spaceGroup:P2_1/c,id:mp-557900} |
| RD_422284085336_000 | computation | Reference Data From Materials Project: {formula:CuCl,spaceGroup:F-43m,id:mp-22914} |
| RD_422694260765_000 | computation | Reference Data From Materials Project: {formula:Cu4H24C13N7Cl,spaceGroup:Cc,id:mp-691038} |
| RD_423079366687_000 | computation | Reference Data From Materials Project: {formula:Cs7Np3(Cl2O)6,spaceGroup:I-43d,id:mp-585476} |
| RD_423087359272_000 | computation | Reference Data From Materials Project: {formula:HfMo2Se8(Cl7O)2,spaceGroup:P2_1/c,id:mp-629742} |
| RD_423252118300_000 | computation | Reference Data From Materials Project: {formula:ReNCl4O3,spaceGroup:P2_1/c,id:mp-647116} |
| RD_423404665735_000 | computation | Reference Data From Materials Project: {formula:Al2Hg3Cl8,spaceGroup:P2_1/c,id:mp-27346} |
| RD_423741691779_000 | computation | Reference Data From Materials Project: {formula:NiH12(ClO3)2,spaceGroup:C2/m,id:mp-25107} |
| RD_424032978176_000 | computation | Reference Data From Materials Project: {formula:TbCs2NaCl6,spaceGroup:Fm-3m,id:mp-568670} |
| RD_424556894472_000 | computation | Reference Data From Materials Project: {formula:K3HPtS2(ClO3)2,spaceGroup:Cmc2_1,id:mp-706983} |
| RD_424782075334_000 | computation | Reference Data From Materials Project: {formula:HgH2C6(NCl2)2,spaceGroup:P2_1/c,id:mp-698360} |
| RD_424887266771_000 | computation | Reference Data From Materials Project: {formula:Ba5Ru2Cl2O9,spaceGroup:Pmcn,id:mp-556954} |
| RD_425404343632_000 | computation | Reference Data From Materials Project: {formula:CsNa2H4Cl3O2,spaceGroup:P1,id:mp-721697} |
| RD_425822636378_000 | computation | Reference Data From Materials Project: {formula:Pr2B3Cl,spaceGroup:P6_3/mmc,id:mp-567730} |
| RD_426007325722_000 | computation | Reference Data From Materials Project: {formula:LiH2ClO,spaceGroup:Cmcm,id:mp-760502} |
| RD_426102587587_000 | computation | Reference Data From Materials Project: {formula:Hg15(As2Cl3)4,spaceGroup:Pn2_1a,id:mp-685427} |
| RD_426501915702_000 | computation | Reference Data From Materials Project: {formula:ZrCl2,spaceGroup:R3m,id:mp-23162} |
| RD_427682673149_000 | computation | ClK 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_427798521525_000 | computation | Reference Data From Materials Project: {formula:NbAsPCl13,spaceGroup:Ccm2_1,id:mp-570225} |
| RD_428682089057_000 | computation | Reference Data From Materials Project: {formula:Cs2Pd(ICl2)2,spaceGroup:I4/mmm,id:mp-607298} |
| RD_429339592565_000 | computation | Reference Data From Materials Project: {formula:Mo3H9Br3(ClO)4,spaceGroup:P2_1/c,id:mp-744213} |
| RD_430002145130_000 | computation | Reference Data From Materials Project: {formula:Ba12Cl5F19,spaceGroup:P-62m,id:mp-560641} |
| RD_430142383541_000 | computation | Reference Data From Materials Project: {formula:ReC5ClO5,spaceGroup:Pcmn,id:mp-648163} |
| RD_430856619911_000 | computation | Reference Data From Materials Project: {formula:Pd(SCl3)2,spaceGroup:P-1,id:mp-28174} |
| RD_431253889301_000 | computation | Reference Data From Materials Project: {formula:Cs2Ta6PbCl18,spaceGroup:R-3,id:mp-569879} |
| RD_431321786015_000 | computation | Reference Data From Materials Project: {formula:Bi7(S3Cl)3,spaceGroup:Pm,id:mp-676611} |
| RD_431939382741_000 | computation | ClNa in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_431963142322_000 | computation | ClK 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_432895900978_000 | computation | Reference Data From Materials Project: {formula:ZnH10C4N6(ClO2)2,spaceGroup:P2_1/c,id:mp-707071} |
| RD_432912311283_000 | computation | Reference Data From Materials Project: {formula:CsPbCl3,spaceGroup:R32,id:mp-675022} |
| RD_433675357479_000 | computation | Reference Data From Materials Project: {formula:Ba3La2Cl12,spaceGroup:P-1,id:mp-772017} |
| RD_433782293764_000 | computation | Reference Data From Materials Project: {formula:GdH12(ClO2)3,spaceGroup:P2/c,id:mp-23989} |
| RD_434451286784_000 | computation | Reference Data From Materials Project: {formula:Al2Te2Cl7,spaceGroup:P2_1/c,id:mp-540629} |
| RD_434708830771_000 | computation | Reference Data From Materials Project: {formula:Nd7(S2Cl3)3,spaceGroup:P2/c,id:mp-559337} |
| RD_435120884424_000 | computation | Reference Data From Materials Project: {formula:AuCClO,spaceGroup:Ccmm,id:mp-561703} |
| RD_435539603406_000 | computation | Reference Data From Materials Project: {formula:P4N3Cl11,spaceGroup:P2/c,id:mp-570583} |
| RD_435564743279_000 | computation | Reference Data From Materials Project: {formula:H8Pt(NCl3)2,spaceGroup:Fm-3m,id:mp-24227} |
| RD_437046686186_000 | computation | Reference Data From Materials Project: {formula:As3Pb5ClO9,spaceGroup:P6_3,id:mp-649619} |
| RD_437540251074_000 | computation | Reference Data From Materials Project: {formula:Ta(ICl)2,spaceGroup:Immm,id:mp-28683} |
| RD_437564086905_000 | computation | Reference Data From Materials Project: {formula:Cu3P8(S2Cl)3,spaceGroup:Pnam,id:mp-559558} |
| RD_437974060219_000 | computation | Reference Data From Materials Project: {formula:Na2CdCl4,spaceGroup:Pmcb,id:mp-28658} |
| RD_438461158537_000 | computation | Reference Data From Materials Project: {formula:Cu2H3ClO3,spaceGroup:P2_1/m,id:mp-559094} |
| RD_438519743625_000 | computation | Reference Data From Materials Project: {formula:La2B3Cl,spaceGroup:P-6,id:mp-569121} |
| RD_438920245296_000 | computation | Reference Data From Materials Project: {formula:RbMnH4Cl3O2,spaceGroup:P-1,id:mp-25567} |
| RD_439317998062_000 | computation | Reference Data From Materials Project: {formula:Rb3Mn2Cl7,spaceGroup:I4/mmm,id:mp-23556} |
| RD_439334838796_000 | computation | Reference Data From Materials Project: {formula:BrClO,spaceGroup:R-3,id:mp-755831} |
| RD_439448840091_000 | computation | Reference Data From Materials Project: {formula:Pr4S3NCl3,spaceGroup:P6_3mc,id:mp-558143} |
| RD_439719173164_000 | computation | Reference Data From Materials Project: {formula:Re2Te4Cl22O,spaceGroup:P2_1/c,id:mp-653823} |
| RD_439837764970_000 | computation | Reference Data From Materials Project: {formula:In7Cl9,spaceGroup:Pa3,id:mp-28730} |
| RD_440076551660_000 | computation | Reference Data From Materials Project: {formula:SnH20C6(NCl3)2,spaceGroup:Pa3,id:mp-570348} |
| RD_440424602212_000 | computation | Reference Data From Materials Project: {formula:Li2CdCl4,spaceGroup:Imma,id:mp-38008} |
| RD_440749174642_000 | computation | Reference Data From Materials Project: {formula:Ga2S5N5Cl7,spaceGroup:P2_1/c,id:mp-555282} |
| RD_440995334387_000 | computation | Reference Data From Materials Project: {formula:CeCl3,spaceGroup:P6_3/m,id:mp-582011} |
| RD_441287634413_000 | computation | Reference Data From Materials Project: {formula:Cs2IrCl6,spaceGroup:Fm-3m,id:mp-28651} |
| RD_441567990830_000 | computation | Reference Data From Materials Project: {formula:RuCl2O,spaceGroup:Immm,id:mp-29132} |
| RD_441702729534_000 | computation | Reference Data From Materials Project: {formula:Nb3TeCl7,spaceGroup:P-3m1,id:mp-28938} |
| RD_441835777113_000 | computation | Reference Data From Materials Project: {formula:TaAsPCl13,spaceGroup:Ccm2_1,id:mp-672248} |
| RD_442086367261_000 | computation | Reference Data From Materials Project: {formula:RbLiCl2,spaceGroup:Ccmm,id:mp-28243} |
| RD_442089733360_000 | computation | Reference Data From Materials Project: {formula:ZnH4(ClO3)2,spaceGroup:P2_1/c,id:mp-690650} |
| RD_442197704945_000 | computation | Reference Data From Materials Project: {formula:Ba2Cu3(ClO2)2,spaceGroup:I4/mmm,id:mp-23085} |
| RD_442279053634_000 | computation | Reference Data From Materials Project: {formula:K3H8RhC4(ClO6)2,spaceGroup:C2/m,id:mp-753955} |
| RD_442369366866_000 | computation | ClK 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_443430819872_000 | computation | Reference Data From Materials Project: {formula:BaCl2,spaceGroup:Fm-3m,id:mp-568662} |
| RD_443751774041_000 | computation | Reference Data From Materials Project: {formula:AgCl,spaceGroup:Ccmm,id:mp-570858} |
| RD_443983465997_000 | computation | Reference Data From Materials Project: {formula:BClF6,spaceGroup:P2_1/c,id:mp-23398} |
| RD_444498172294_000 | computation | Reference Data From Materials Project: {formula:Sr(AlCl4)2,spaceGroup:I4_1/acd,id:mp-569869} |
| RD_444557421117_000 | computation | Reference Data From Materials Project: {formula:RbMoPClO5,spaceGroup:P4/nmm,id:mp-566165} |
| RD_445278440825_000 | computation | Reference Data From Materials Project: {formula:ZnCrH15N5Cl4F,spaceGroup:Ccm2_1,id:mp-744625} |
| RD_445590815241_000 | computation | Reference Data From Materials Project: {formula:Eu5P3ClO12,spaceGroup:P6_3/m,id:mp-647532} |
| RD_445812995008_000 | computation | Reference Data From Materials Project: {formula:H5CSN2ClO4,spaceGroup:P-1,id:mp-707816} |
| RD_446225186413_000 | computation | Reference Data From Materials Project: {formula:KSn2Cl5,spaceGroup:I4/mcm,id:mp-23539} |
| RD_446664739884_000 | computation | Reference Data From Materials Project: {formula:ZnH14C2(N2Cl)4,spaceGroup:P2_1/c,id:mp-603910} |
| RD_446806375759_000 | computation | Reference Data From Materials Project: {formula:VSb2NCl14,spaceGroup:P2_1/c,id:mp-651728} |
| RD_447082060641_000 | computation | ClNa in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_448060781469_000 | computation | Reference Data From Materials Project: {formula:SeCl4,spaceGroup:C2/c,id:mp-540675} |
| RD_448163353718_000 | computation | Reference Data From Materials Project: {formula:CrAg3ClO4,spaceGroup:P4/nmm,id:mp-566124} |
| RD_448469397328_000 | computation | Reference Data From Materials Project: {formula:Sr2NiSe2(ClO3)2,spaceGroup:P2_1/c,id:mp-566796} |
| RD_448475514415_000 | computation | Reference Data From Materials Project: {formula:KDy2Cl7,spaceGroup:P2_1/c,id:mp-540942} |
| RD_448666788417_000 | computation | Reference Data From Materials Project: {formula:Co2TeCl2O3,spaceGroup:P2_1/m,id:mp-561643} |
| RD_449222870438_000 | computation | Reference Data From Materials Project: {formula:NiPH4ClO3,spaceGroup:Pbca,id:mp-744212} |
| RD_449255376976_000 | computation | Reference Data From Materials Project: {formula:Cu7P12S9Cl7,spaceGroup:P6_3mc,id:mp-554511} |
| RD_449342433322_000 | computation | Reference Data From Materials Project: {formula:Pb(ClO2)2,spaceGroup:Ccce,id:mp-615141} |
| RD_449363763985_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_449496864056_000 | computation | Reference Data From Materials Project: {formula:PtCl4,spaceGroup:Pa3,id:mp-680506} |
| RD_449780803667_000 | computation | Reference Data From Materials Project: {formula:CoH21C2N6Cl2O5,spaceGroup:P2_12_12_1,id:mp-603423} |
| RD_449929754422_000 | computation | Reference Data From Materials Project: {formula:LiH6ClO7,spaceGroup:P6_3mc,id:mp-23797} |
| RD_450860232192_000 | computation | Reference Data From Materials Project: {formula:TbCs2NaCl6,spaceGroup:Fm-3m,id:mp-568670} |
| RD_450904238578_000 | computation | Reference Data From Materials Project: {formula:Sr3Co2Cl2O5,spaceGroup:I4/mmm,id:mp-24846} |
| RD_450975630980_000 | computation | Reference Data From Materials Project: {formula:Cr3B7ClO13,spaceGroup:Pca2_1,id:mp-579770} |
| RD_450999527683_000 | computation | Reference Data From Materials Project: {formula:FeH12Pt(ClO)6,spaceGroup:R-3,id:mp-542912} |
| RD_451224562545_000 | computation | Reference Data From Materials Project: {formula:RbCrCl3,spaceGroup:C2/m,id:mp-568887} |
| RD_452152931512_000 | computation | Reference Data From Materials Project: {formula:Li4Ga3Si3ClO12,spaceGroup:P-43n,id:mp-554203} |
| RD_452617677542_000 | computation | Reference Data From Materials Project: {formula:Cs2NaUCl6,spaceGroup:Fm-3m,id:mp-23108} |
| RD_452649341745_000 | computation | Reference Data From Materials Project: {formula:Ga(SbCl)4,spaceGroup:Pc2_1n,id:mp-31251} |
| RD_452778095267_000 | computation | Reference Data From Materials Project: {formula:Ca3AsCl3,spaceGroup:Pm-3m,id:mp-28069} |
| RD_453185651315_000 | computation | Reference Data From Materials Project: {formula:Tl5Se2Cl,spaceGroup:P4/ncc,id:mp-28920} |
| RD_453186182292_000 | computation | ClK 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_453434722310_000 | computation | Reference Data From Materials Project: {formula:IrCl3,spaceGroup:Fddd,id:mp-568208} |
| RD_453910933654_000 | computation | Reference Data From Materials Project: {formula:NaHgCl3,spaceGroup:Pmnb,id:mp-608490} |
| RD_454131305093_000 | computation | Reference Data From Materials Project: {formula:CsLi2Cl3,spaceGroup:Immm,id:mp-569117} |
| RD_454142650260_000 | computation | Reference Data From Materials Project: {formula:SbN6Cl,spaceGroup:C2/c,id:mp-628690} |
| RD_454338844170_000 | computation | Reference Data From Materials Project: {formula:CsMgCl3,spaceGroup:P6_3/mmc,id:mp-23004} |
| RD_454365518658_000 | computation | Reference Data From Materials Project: {formula:Na3Sm7Cl24,spaceGroup:P-6,id:mp-673807} |
| RD_454375038205_000 | computation | Reference Data From Materials Project: {formula:HfNCl,spaceGroup:R-3m,id:mp-541911} |
| RD_454708760393_000 | computation | Reference Data From Materials Project: {formula:K2Ta3Cl9,spaceGroup:C2/m,id:mp-31360} |
| RD_455181363159_000 | computation | Reference Data From Materials Project: {formula:SbS5N5Cl6,spaceGroup:F2dd,id:mp-647878} |
| RD_455254205215_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_455307341317_000 | computation | Reference Data From Materials Project: {formula:RePbClO4,spaceGroup:P2_1mn,id:mp-560625} |
| RD_455354171397_000 | computation | Reference Data From Materials Project: {formula:HCl,spaceGroup:Ccm2_1,id:mp-632326} |
| RD_455963191673_000 | computation | Reference Data From Materials Project: {formula:Co2H34N12Cl3O10,spaceGroup:Pmnn,id:mp-604239} |
| RD_455998543875_000 | computation | Reference Data From Materials Project: {formula:H24RuC8(S2Cl)2,spaceGroup:Pbca,id:mp-605665} |
| RD_456200130118_000 | computation | Reference Data From Materials Project: {formula:P2SN3Cl5O,spaceGroup:P-1,id:mp-662720} |
| RD_457659717093_000 | computation | Reference Data From Materials Project: {formula:FeClO,spaceGroup:Pmmn,id:mp-552787} |
| RD_457988556095_000 | computation | ClF in AFLOW crystal prototype AB3_oP16_62_c_cd. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_458177118070_000 | computation | Reference Data From Materials Project: {formula:Sc7(CCl5)2,spaceGroup:C2/m,id:mp-29315} |
| RD_458401520854_000 | computation | Reference Data From Materials Project: {formula:Sn2ClF3,spaceGroup:P2_13,id:mp-29252} |
| RD_458472093064_000 | computation | Reference Data From Materials Project: {formula:HfHg3(SeCl3)2,spaceGroup:P2_1/c,id:mp-571445} |
| RD_458567654371_000 | computation | Reference Data From Materials Project: {formula:Lu(NbCl3)6,spaceGroup:R-3,id:mp-29339} |
| RD_458618687703_000 | computation | Reference Data From Materials Project: {formula:LaCN2Cl,spaceGroup:P2_1/m,id:mp-567373} |
| RD_458659095102_000 | computation | Reference Data From Materials Project: {formula:Cs3Cu2Cl5,spaceGroup:Pnma,id:mp-582024} |
| RD_458757658564_000 | computation | Reference Data From Materials Project: {formula:NaTaCl6,spaceGroup:P2_1/c,id:mp-28179} |
| RD_458983424011_000 | computation | Reference Data From Materials Project: {formula:Cr3B7ClO13,spaceGroup:P-42_1c,id:mp-653248} |
| RD_459685269900_000 | computation | Reference Data From Materials Project: {formula:C13Cl3,spaceGroup:P6_3/m,id:mp-646059} |
| RD_459738834870_000 | computation | Reference Data From Materials Project: {formula:CeB2ClO4,spaceGroup:P-1,id:mp-556519} |
| RD_460104186701_000 | computation | Reference Data From Materials Project: {formula:Ca2CdH24(ClO2)6,spaceGroup:P2_1/c,id:mp-720868} |
| RD_460274875461_000 | computation | Reference Data From Materials Project: {formula:NdCl2,spaceGroup:Pmnb,id:mp-28313} |
| RD_460324022049_000 | computation | Reference Data From Materials Project: {formula:CdCuH8(ClO)4,spaceGroup:P-1,id:mp-753954} |
| RD_460487448226_000 | computation | Reference Data From Materials Project: {formula:AgCl,spaceGroup:Fm-3m,id:mp-22922} |
| RD_460814402040_000 | computation | Reference Data From Materials Project: {formula:Cu9Se4(Cl3O7)2,spaceGroup:C2/m,id:mp-558647} |
| RD_461139096707_000 | computation | Reference Data From Materials Project: {formula:Mo3H9I3(ClO)4,spaceGroup:P2_1/c,id:mp-744197} |
| RD_461143151099_000 | computation | Reference Data From Materials Project: {formula:TlCl,spaceGroup:Pm-3m,id:mp-23167} |
| RD_461271347715_000 | computation | Reference Data From Materials Project: {formula:Sn(PCl6)4,spaceGroup:Pmc2_1,id:mp-685443} |
| RD_462117780462_000 | computation | Reference Data From Materials Project: {formula:AgClO4,spaceGroup:I-42m,id:mp-22993} |
| RD_462429712725_000 | computation | Reference Data From Materials Project: {formula:NaFeCl4,spaceGroup:P2_12_12_1,id:mp-27514} |
| RD_462526062792_000 | computation | Reference Data From Materials Project: {formula:H3AuC2NCl,spaceGroup:P2_1,id:mp-569084} |
| RD_462551617619_000 | computation | ClK 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_462877133390_000 | computation | Reference Data From Materials Project: {formula:BH11C4NClF4,spaceGroup:P2_1/m,id:mp-559235} |
| RD_462966948408_000 | computation | Reference Data From Materials Project: {formula:TiCl3,spaceGroup:C2/m,id:mp-571377} |
| RD_463211753703_000 | computation | ClNa in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_463244289680_000 | computation | Reference Data From Materials Project: {formula:SCl,spaceGroup:F2dd,id:mp-28096} |
| RD_463297395288_000 | computation | Reference Data From Materials Project: {formula:KICl4,spaceGroup:P2_1/c,id:mp-647366} |
| RD_463452460149_000 | computation | Reference Data From Materials Project: {formula:PH15C18INCl2,spaceGroup:P2_1cn,id:mp-601200} |
| RD_463791318999_000 | computation | Reference Data From Materials Project: {formula:TiClO,spaceGroup:Pmmn,id:mp-22992} |
| RD_464085341995_000 | computation | Reference Data From Materials Project: {formula:H3ClO5,spaceGroup:Pnma,id:mp-625164} |
| RD_464203822728_000 | computation | Reference Data From Materials Project: {formula:Na6MnCl8,spaceGroup:Fm-3m,id:mp-27125} |
| RD_464509590307_000 | computation | Reference Data From Materials Project: {formula:ZrCl3,spaceGroup:R-3,id:mp-685155} |
| RD_465196187933_000 | computation | Reference Data From Materials Project: {formula:CsTmCl3,spaceGroup:Pm-3m,id:mp-579768} |
| RD_466112590003_000 | computation | Reference Data From Materials Project: {formula:B3Pb6ClO10,spaceGroup:Pcmb,id:mp-560833} |
| RD_466558758762_000 | computation | Reference Data From Materials Project: {formula:CsPbCl3,spaceGroup:Cm2m,id:mp-675524} |
| RD_466598501131_000 | computation | Reference Data From Materials Project: {formula:Rb2MnCl6,spaceGroup:Fm-3m,id:mp-571648} |
| RD_466617768330_000 | computation | Reference Data From Materials Project: {formula:NaCl,spaceGroup:Fm-3m,id:mp-22862} |
| RD_467121091150_000 | computation | Reference Data From Materials Project: {formula:Ca9B2(CCl2)4,spaceGroup:Ccmm,id:mp-569892} |
| RD_467690553587_000 | computation | Reference Data From Materials Project: {formula:RbCl,spaceGroup:Fm-3m,id:mp-23295} |
| RD_467792546562_000 | computation | Reference Data From Materials Project: {formula:Sc4NCl6,spaceGroup:Pmcb,id:mp-23414} |
| RD_468631812772_000 | computation | Reference Data From Materials Project: {formula:V3Pb5ClO12,spaceGroup:P6_3/m,id:mp-628782} |
| RD_469106782051_000 | computation | Reference Data From Materials Project: {formula:Ta3In2Cl9,spaceGroup:C2/m,id:mp-662572} |
| RD_469209772118_000 | computation | Reference Data From Materials Project: {formula:Li4Cu4Cl10O,spaceGroup:C2/c,id:mp-769256} |
| RD_469424030192_000 | computation | Reference Data From Materials Project: {formula:K2RuCl6,spaceGroup:Fm-3m,id:mp-23471} |
| RD_469519010632_000 | computation | Reference Data From Materials Project: {formula:C6S3(N3Cl)2,spaceGroup:P2_1/c,id:mp-722472} |
| RD_469788399440_000 | computation | Reference Data From Materials Project: {formula:TbCl3,spaceGroup:P6_3/m,id:mp-568170} |
| RD_469790870408_000 | computation | Reference Data From Materials Project: {formula:H6PtN2ClO5,spaceGroup:P2_12_12_1,id:mp-706295} |
| RD_469995306529_000 | computation | Reference Data From Materials Project: {formula:FeTc2Cl,spaceGroup:Fm-3m,id:mp-631425} |
| RD_471010317153_000 | computation | Reference Data From Materials Project: {formula:Cs2SnCl6,spaceGroup:Fm-3m,id:mp-608555} |
| RD_471137361971_000 | computation | Reference Data From Materials Project: {formula:SNClO,spaceGroup:Pnam,id:mp-558844} |
| RD_472421714057_000 | computation | Reference Data From Materials Project: {formula:H18RuC6(SCl)3,spaceGroup:Pna2_1,id:mp-759409} |
| RD_472838745347_000 | computation | Reference Data From Materials Project: {formula:CaCl2,spaceGroup:Pmnb,id:mp-571627} |
| RD_473607742825_000 | computation | Reference Data From Materials Project: {formula:Na6CdCl8,spaceGroup:Fm-3m,id:mp-28022} |
| RD_473790486745_000 | computation | Reference Data From Materials Project: {formula:Nd5As2ClO10,spaceGroup:C2/m,id:mp-558340} |
| RD_474383903572_000 | computation | Reference Data From Materials Project: {formula:Sr5V3ClO12,spaceGroup:P6_3/m,id:mp-705168} |
| RD_475069640727_000 | computation | Reference Data From Materials Project: {formula:CaHClO,spaceGroup:P6_3mc,id:mp-642725} |
| RD_475403802076_000 | computation | Reference Data From Materials Project: {formula:Nb3Se5Cl7,spaceGroup:P2_1/m,id:mp-540615} |
| RD_475857632778_000 | computation | Reference Data From Materials Project: {formula:Ba2LaCl7,spaceGroup:P2_1/c,id:mp-772955} |
| RD_476573489323_000 | computation | Reference Data From Materials Project: {formula:LiFeMoClO4,spaceGroup:P2_1/m,id:mp-566471} |
| RD_476844802996_000 | computation | Reference Data From Materials Project: {formula:Rb3Hg2S3ClO12,spaceGroup:P2_1,id:mp-560324} |
| RD_476893472794_000 | computation | Reference Data From Materials Project: {formula:CuAs2Pb8Cl5O9,spaceGroup:C2/m,id:mp-653930} |
| RD_477190780314_000 | computation | Reference Data From Materials Project: {formula:Hg3(SCl)2,spaceGroup:I2_13,id:mp-23418} |
| RD_477348740406_000 | computation | Reference Data From Materials Project: {formula:H4CSN2Cl,spaceGroup:Pbca,id:mp-720300} |
| RD_477358220599_000 | computation | Reference Data From Materials Project: {formula:LiClO2,spaceGroup:P4_2/ncm,id:mp-31367} |
| RD_477755862896_000 | computation | Reference Data From Materials Project: {formula:PICl8,spaceGroup:Imma,id:mp-573373} |
| RD_477769212312_000 | computation | Reference Data From Materials Project: {formula:CSe(ClF)3,spaceGroup:Pbca,id:mp-647549} |
| RD_478018667396_000 | computation | Reference Data From Materials Project: {formula:ReP(Cl2O)3,spaceGroup:P2_1/c,id:mp-572794} |
| RD_478627178419_000 | computation | Reference Data From Materials Project: {formula:Rb3ClO,spaceGroup:Pm-3m,id:mp-754892} |
| RD_478697216454_000 | computation | Reference Data From Materials Project: {formula:CaHClO,spaceGroup:P6_3mc,id:mp-642725} |
| RD_478700971000_000 | computation | ClK 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_478874129043_000 | computation | Reference Data From Materials Project: {formula:Ce9Sb16Cl3,spaceGroup:P6_3/m,id:mp-567514} |
| RD_478900805501_000 | computation | Reference Data From Materials Project: {formula:Ba2YCl7,spaceGroup:C2/c,id:mp-755104} |
| RD_478940338479_000 | computation | Reference Data From Materials Project: {formula:WSCl4,spaceGroup:P-1,id:mp-27475} |
| RD_479181909581_000 | computation | Reference Data From Materials Project: {formula:Ba2MnSi2ClO7,spaceGroup:P4bm,id:mp-566258} |
| RD_479675201049_000 | computation | Reference Data From Materials Project: {formula:TlCl2,spaceGroup:I4_1/a,id:mp-27205} |
| RD_480156597560_000 | computation | Reference Data From Materials Project: {formula:LiH20C8ClO4,spaceGroup:C2/c,id:mp-738610} |
| RD_480396105219_000 | computation | Reference Data From Materials Project: {formula:CsCl,spaceGroup:Fm-3m,id:mp-573697} |
| RD_480630222829_000 | computation | Reference Data From Materials Project: {formula:Ca2AlH10ClO8,spaceGroup:C2/c,id:mp-695927} |
| RD_480786190832_000 | computation | Reference Data From Materials Project: {formula:GeCl4,spaceGroup:P2_1/c,id:mp-30086} |
| RD_481184065744_000 | computation | Reference Data From Materials Project: {formula:Ba4Os6ClO18,spaceGroup:I23,id:mp-561099} |
| RD_481341698835_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_481386473252_000 | computation | Reference Data From Materials Project: {formula:Ca(ClO3)2,spaceGroup:P2_1/c,id:mp-768870} |
| RD_481388485065_000 | computation | Reference Data From Materials Project: {formula:BaBrCl,spaceGroup:Pmnb,id:mp-28049} |
| RD_481400714758_000 | computation | Reference Data From Materials Project: {formula:CuH12N2(Cl2O)2,spaceGroup:P4_2/mnm,id:mp-721415} |
| RD_481480653942_000 | computation | Reference Data From Materials Project: {formula:H18RuN5(ClO)2,spaceGroup:P2_1/c,id:mp-720397} |
| RD_481534859681_000 | computation | Reference Data From Materials Project: {formula:SnP2(Cl5O)2,spaceGroup:Pmnn,id:mp-559064} |
| RD_481733171443_000 | computation | Reference Data From Materials Project: {formula:Te3WICl6,spaceGroup:P2_1/c,id:mp-617352} |
| RD_481815422504_000 | computation | Reference Data From Materials Project: {formula:H5N2Cl,spaceGroup:F2dd,id:mp-644118} |
| RD_482167336171_000 | computation | Reference Data From Materials Project: {formula:Ba9LiSi10C(ClO4)7,spaceGroup:Pnmm,id:mp-559419} |
| RD_482587227119_000 | computation | Reference Data From Materials Project: {formula:CsLu(NbCl3)6,spaceGroup:P-31c,id:mp-570921} |
| RD_482787289609_000 | computation | Reference Data From Materials Project: {formula:Cs2PtCl6,spaceGroup:Fm-3m,id:mp-23406} |
| RD_482945720710_000 | computation | Reference Data From Materials Project: {formula:Pr2B3Cl,spaceGroup:P6_3/mmc,id:mp-567730} |
| RD_483135643030_000 | computation | Reference Data From Materials Project: {formula:Cd4P2Cl3,spaceGroup:Pa3,id:mp-29746} |
| RD_483468526294_000 | computation | Reference Data From Materials Project: {formula:CsCrH18N6(ClO2)4,spaceGroup:R-3,id:mp-25511} |
| RD_483923962905_000 | computation | Reference Data From Materials Project: {formula:Li2VCl4,spaceGroup:Imma,id:mp-685606} |
| RD_484050773165_000 | computation | Reference Data From Materials Project: {formula:Ba5Ta2Cl2O9,spaceGroup:P6_3/mmc,id:mp-559378} |
| RD_484150663511_000 | computation | Reference Data From Materials Project: {formula:Ca5P3ClO12,spaceGroup:P6_3/m,id:mp-554236} |
| RD_484399193221_000 | computation | Reference Data From Materials Project: {formula:Sn2PClO4,spaceGroup:C2cm,id:mp-555836} |
| RD_484998571640_000 | computation | Reference Data From Materials Project: {formula:CoH8(ClO2)2,spaceGroup:P2_1/c,id:mp-746691} |
| RD_485041603104_000 | computation | Reference Data From Materials Project: {formula:InCl,spaceGroup:Ccmm,id:mp-571555} |
| RD_485163200398_000 | computation | Reference Data From Materials Project: {formula:BrCl,spaceGroup:P6_3mc,id:mp-864928} |
| RD_485489322085_000 | computation | Reference Data From Materials Project: {formula:NaW6CCl18,spaceGroup:P6_3/m,id:mp-567182} |
| RD_485646336173_000 | computation | Reference Data From Materials Project: {formula:CaH8(ClO2)2,spaceGroup:P-1,id:mp-721047} |
| RD_486057285302_000 | computation | Reference Data From Materials Project: {formula:CuHClO,spaceGroup:P2_1/c,id:mp-643743} |
| RD_486412261254_000 | computation | Reference Data From Materials Project: {formula:AsSe3(ClF2)3,spaceGroup:P2_1/c,id:mp-23575} |
| RD_486435889958_000 | computation | Reference Data From Materials Project: {formula:La2CCl,spaceGroup:R-3m,id:mp-29404} |
| RD_486547892509_000 | computation | Reference Data From Materials Project: {formula:BeW2Cl,spaceGroup:Fm-3m,id:mp-631535} |
| RD_486746514438_000 | computation | Reference Data From Materials Project: {formula:NaRuH6N(ClO)4,spaceGroup:P2_1/c,id:mp-699477} |
| RD_486942917266_000 | computation | Reference Data From Materials Project: {formula:Co(ClO4)2,spaceGroup:R-3,id:mp-31621} |
| RD_487108917702_000 | computation | Reference Data From Materials Project: {formula:K4Al3Si3ClO12,spaceGroup:P-43n,id:mp-23149} |
| RD_487273322603_000 | computation | Reference Data From Materials Project: {formula:H16Ru3C6(Cl3O7)2,spaceGroup:P-1,id:mp-758573} |
| RD_487608986380_000 | computation | Reference Data From Materials Project: {formula:Rb3ClO,spaceGroup:P6_3/mmc,id:mp-772199} |
| RD_487983766867_000 | computation | Reference Data From Materials Project: {formula:Na3ClO,spaceGroup:Pm-3m,id:mp-28602} |
| RD_488285600383_000 | computation | Reference Data From Materials Project: {formula:NbSNCl6,spaceGroup:P-1,id:mp-608398} |
| RD_488418790013_000 | computation | Reference Data From Materials Project: {formula:InSb2S4Cl,spaceGroup:C2/m,id:mp-556541} |
| RD_489264380510_000 | computation | Reference Data From Materials Project: {formula:K4Ru2Cl10O,spaceGroup:I4/mmm,id:mp-560515} |
| RD_489626045764_000 | computation | Reference Data From Materials Project: {formula:Cu7P12S9Cl7,spaceGroup:P6_3mc,id:mp-554511} |
| RD_490179891263_000 | computation | Reference Data From Materials Project: {formula:TeAuCl7,spaceGroup:P-1,id:mp-28330} |
| RD_490265512288_000 | computation | Reference Data From Materials Project: {formula:NbAlCl8,spaceGroup:Ccmm,id:mp-28358} |
| RD_491890717592_000 | computation | Reference Data From Materials Project: {formula:Rb4Cl2O,spaceGroup:I-42d,id:mp-38099} |
| RD_491994032033_000 | computation | Reference Data From Materials Project: {formula:SmCl2,spaceGroup:P4_2/mnm,id:mp-867134} |
| RD_492081080007_000 | computation | Reference Data From Materials Project: {formula:Mo(SeCl6)2,spaceGroup:Fd2d,id:mp-568726} |
| RD_492152628123_000 | computation | Reference Data From Materials Project: {formula:Pb2ClO2,spaceGroup:I4/mmm,id:mp-27942} |
| RD_492449582056_000 | computation | Reference Data From Materials Project: {formula:AuClO,spaceGroup:R-3,id:mp-27265} |
| RD_492524687748_000 | computation | Reference Data From Materials Project: {formula:NaU2Cl6,spaceGroup:P2_1/c,id:mp-676303} |
| RD_493570896684_000 | computation | Reference Data From Materials Project: {formula:H3ClO5,spaceGroup:Pm,id:mp-625172} |
| RD_494320264526_000 | computation | Reference Data From Materials Project: {formula:Te7WCl5O,spaceGroup:Pcaa,id:mp-697593} |
| RD_494445634157_000 | computation | Reference Data From Materials Project: {formula:AlSCl7,spaceGroup:Pc,id:mp-555805} |
| RD_494816471614_000 | computation | Reference Data From Materials Project: {formula:Rb2Bi(ClO4)5,spaceGroup:P-1,id:mp-557599} |
| RD_494829607755_000 | computation | Reference Data From Materials Project: {formula:K2Os(Cl2O)2,spaceGroup:I4/mmm,id:mp-23097} |
| RD_495199099674_000 | computation | Reference Data From Materials Project: {formula:Ti(ClO4)4,spaceGroup:C2/c,id:mp-28481} |
| RD_495466113771_000 | computation | Reference Data From Materials Project: {formula:H8CN2(ClO5)2,spaceGroup:Pcnb,id:mp-560730} |
| RD_495799064757_000 | computation | Reference Data From Materials Project: {formula:Rb2PuCl5,spaceGroup:Pcmn,id:mp-29333} |
| RD_495836796613_000 | computation | Reference Data From Materials Project: {formula:SrNd10Se12(Cl2O9)4,spaceGroup:Pc,id:mp-686599} |
| RD_496685339291_000 | computation | Reference Data From Materials Project: {formula:CsTiCl3,spaceGroup:P6_3/mmc,id:mp-28283} |
| RD_496837395336_000 | computation | Reference Data From Materials Project: {formula:Sc(ClO4)3,spaceGroup:R3c,id:mp-769152} |
| RD_497001667047_000 | computation | Reference Data From Materials Project: {formula:Sr3BCNCl2,spaceGroup:Pmcn,id:mp-616577} |
| RD_497111914060_000 | computation | Reference Data From Materials Project: {formula:CsFeCl4,spaceGroup:Pmcn,id:mp-27570} |
| RD_498415859321_000 | computation | Reference Data From Materials Project: {formula:SrLaCl5,spaceGroup:P-1,id:mp-756228} |
| RD_498717814842_000 | computation | Reference Data From Materials Project: {formula:LuH6(ClO5)3,spaceGroup:P-1,id:mp-757220} |
| RD_499171649399_000 | computation | Reference Data From Materials Project: {formula:Li2MgCl4,spaceGroup:Imcm,id:mp-38684} |
| RD_499592972094_000 | computation | Reference Data From Materials Project: {formula:HCl,spaceGroup:Fm-3m,id:mp-23722} |
| RD_500367493762_000 | computation | Reference Data From Materials Project: {formula:Pd(Se4Cl)2,spaceGroup:Pcab,id:mp-567437} |
| RD_500395332595_000 | computation | Reference Data From Materials Project: {formula:Tm(ClO4)3,spaceGroup:P6_3/m,id:mp-778001} |
| RD_500653576310_000 | computation | Reference Data From Materials Project: {formula:Y3Si2Cl5O6,spaceGroup:C2/m,id:mp-557092} |
| RD_500742000085_000 | computation | Reference Data From Materials Project: {formula:CdH9C3NCl3,spaceGroup:P6_3/m,id:mp-698392} |
| RD_501022308419_000 | computation | Reference Data From Materials Project: {formula:CuAg7As4ClO14,spaceGroup:Cc,id:mp-653450} |
| RD_501303915954_000 | computation | Reference Data From Materials Project: {formula:Cu3TeS3Cl,spaceGroup:R3m,id:mp-557510} |
| RD_501722178426_000 | computation | Reference Data From Materials Project: {formula:Yb8Cl17,spaceGroup:C2/c,id:mp-582735} |
| RD_502134057619_000 | computation | Reference Data From Materials Project: {formula:NaAuCl4,spaceGroup:P2_1/c,id:mp-570193} |
| RD_502596697584_000 | computation | Reference Data From Materials Project: {formula:Hg6BiAs4Cl7,spaceGroup:Pa3,id:mp-570652} |
| RD_502728750793_000 | computation | Reference Data From Materials Project: {formula:KCl,spaceGroup:Fm-3m,id:mp-23193} |
| RD_502767058210_000 | computation | Reference Data From Materials Project: {formula:B2PCl2,spaceGroup:Pbna,id:mp-28426} |
| RD_502891192884_000 | computation | Reference Data From Materials Project: {formula:CsNiCl3,spaceGroup:P6_3/mmc,id:mp-22950} |
| RD_502992507179_000 | computation | Reference Data From Materials Project: {formula:TeOsCl2,spaceGroup:F-43m,id:mp-631398} |
| RD_503241445971_000 | computation | Reference Data From Materials Project: {formula:Ca10P6ClO24F,spaceGroup:P3,id:mp-686571} |
| RD_503566250166_000 | computation | Reference Data From Materials Project: {formula:H3ClO5,spaceGroup:P2_1/c,id:mp-27694} |
| RD_504042780219_000 | computation | Reference Data From Materials Project: {formula:TaP4S4Cl5,spaceGroup:P-1,id:mp-555967} |
| RD_504244229540_000 | computation | Reference Data From Materials Project: {formula:TiNb3Cl7O2,spaceGroup:C2/c,id:mp-561357} |
| RD_504456691111_000 | computation | Reference Data From Materials Project: {formula:H2RhN2Cl5O,spaceGroup:Pnma,id:mp-706921} |
| RD_505465534600_000 | computation | Reference Data From Materials Project: {formula:CSCl(OF)3,spaceGroup:P2_1/c,id:mp-558648} |
| RD_506443114978_000 | computation | Reference Data From Materials Project: {formula:Li2CrCl4,spaceGroup:C2/m,id:mp-567474} |
| RD_506529681054_000 | computation | Reference Data From Materials Project: {formula:SbPCl8O,spaceGroup:Pmcn,id:mp-23574} |
| RD_506694196924_000 | computation | Reference Data From Materials Project: {formula:KClO4,spaceGroup:F-43m,id:mp-546633} |
| RD_506913684426_000 | computation | Reference Data From Materials Project: {formula:La3Si3Cl2,spaceGroup:C2/m,id:mp-29559} |
| RD_506933730061_000 | computation | Reference Data From Materials Project: {formula:Rb2ZrCl6,spaceGroup:Fm-3m,id:mp-27831} |
| RD_507308683056_000 | computation | Reference Data From Materials Project: {formula:Ti(AlCl4)2,spaceGroup:C2/c,id:mp-574112} |
| RD_507375849350_000 | computation | Reference Data From Materials Project: {formula:MoPCl5O3,spaceGroup:P2_1/c,id:mp-567661} |
| RD_507396596955_000 | computation | Reference Data From Materials Project: {formula:Na13Ca7S12Cl(O24F)2,spaceGroup:P1,id:mp-720360} |
| RD_507477005990_000 | computation | Reference Data From Materials Project: {formula:Hg2ClO,spaceGroup:P-1,id:mp-636805} |
| RD_507582574957_000 | computation | ClCs in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_508114806596_000 | computation | Reference Data From Materials Project: {formula:OsPtCl2,spaceGroup:F-43m,id:mp-631399} |
| RD_509159049510_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_509307776936_000 | computation | Reference Data From Materials Project: {formula:Co6Te3(ClO6)2,spaceGroup:P4_2/mbc,id:mp-705156} |
| RD_509368197157_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_509457270311_000 | computation | Reference Data From Materials Project: {formula:Ce(ClO4)3,spaceGroup:R3c,id:mp-768684} |
| RD_509610137989_000 | computation | Reference Data From Materials Project: {formula:Tl10Hg3Cl16,spaceGroup:I4/m,id:mp-573974} |
| RD_509791206660_000 | computation | Reference Data From Materials Project: {formula:TlCl,spaceGroup:Ccmm,id:mp-571079} |
| RD_509894637842_000 | computation | Reference Data From Materials Project: {formula:Ca(ClO3)2,spaceGroup:F2dd,id:mp-753813} |
| RD_510039112243_000 | computation | Reference Data From Materials Project: {formula:Nd6S4N3Cl,spaceGroup:Pmnb,id:mp-561469} |
| RD_510086719692_000 | computation | Reference Data From Materials Project: {formula:BrCl,spaceGroup:P6_3mc,id:mp-864928} |
| RD_510272551009_000 | computation | Reference Data From Materials Project: {formula:K6BiH3(Cl2F)4,spaceGroup:P6_3/mmc,id:mp-723540} |
| RD_510553527999_000 | computation | Reference Data From Materials Project: {formula:AuSeCl7,spaceGroup:P2_1/c,id:mp-28372} |
| RD_510800543172_000 | computation | Cl in AFLOW crystal prototype A_oC8_64_f. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_511155779143_000 | computation | Reference Data From Materials Project: {formula:Re(TeCl6)2,spaceGroup:P-1,id:mp-28633} |
| RD_511196482835_000 | computation | Reference Data From Materials Project: {formula:P3Pb5ClO12,spaceGroup:P6_3/m,id:mp-504748} |
| RD_511333399576_000 | computation | ClI in AFLOW crystal prototype AB_mP16_14_2e_2e. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_511389894027_000 | computation | Reference Data From Materials Project: {formula:NbSeCl9,spaceGroup:P2_1/c,id:mp-29968} |
| RD_511659382323_000 | computation | Reference Data From Materials Project: {formula:SrCl2,spaceGroup:Fm-3m,id:mp-23209} |
| RD_511836579960_000 | computation | Reference Data From Materials Project: {formula:Ba5Mn3ClO12,spaceGroup:P6_3/m,id:mp-650764} |
| RD_511911174677_000 | computation | Reference Data From Materials Project: {formula:Cs3Ru2Cl9,spaceGroup:P6_3/mmc,id:mp-541646} |
| RD_512275127700_000 | computation | Reference Data From Materials Project: {formula:Yb4Cl6O,spaceGroup:P6_3mc,id:mp-554831} |
| RD_512294900124_000 | computation | Reference Data From Materials Project: {formula:CsCl,spaceGroup:Pm-3m,id:mp-22865} |
| RD_512404772070_000 | computation | Reference Data From Materials Project: {formula:CrCl3,spaceGroup:C2/m,id:mp-27630} |
| RD_512987327097_000 | computation | Reference Data From Materials Project: {formula:RuH2C8S3N(ClO)3,spaceGroup:Pn2_1a,id:mp-711343} |
| RD_513547083096_000 | computation | Reference Data From Materials Project: {formula:NbRu2Cl,spaceGroup:Fm-3m,id:mp-631412} |
| RD_513713040005_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_513909432238_000 | computation | ClK 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_514086319279_000 | computation | Reference Data From Materials Project: {formula:TlAuCl4,spaceGroup:C2/c,id:mp-28368} |
| RD_514108429566_000 | computation | Reference Data From Materials Project: {formula:Nb3(Bi5Cl9)2,spaceGroup:P3,id:mp-685855} |
| RD_514264043296_000 | computation | Reference Data From Materials Project: {formula:TeH21C7(NCl2)3,spaceGroup:P2_1/c,id:mp-600198} |
| RD_514426177089_000 | computation | Reference Data From Materials Project: {formula:CaH8(ClO2)2,spaceGroup:P2_1/c,id:mp-24384} |
| RD_514474805095_000 | computation | Reference Data From Materials Project: {formula:K2TaCl6,spaceGroup:Fm-3m,id:mp-31363} |
| RD_514796662412_000 | computation | Reference Data From Materials Project: {formula:Fe3H6C6(N3Cl4)2,spaceGroup:P-3,id:mp-634187} |
| RD_515301633799_000 | computation | Reference Data From Materials Project: {formula:Eu3LiSiCl3O4,spaceGroup:Pnmb,id:mp-679929} |
| RD_515712956881_000 | computation | Reference Data From Materials Project: {formula:CuClF10,spaceGroup:P2_1/c,id:mp-29279} |
| RD_516046701146_000 | computation | Reference Data From Materials Project: {formula:CoRuH16N10ClO10,spaceGroup:P2_1/c,id:mp-744774} |
| RD_516578116590_000 | computation | Reference Data From Materials Project: {formula:La3U(ClO2)3,spaceGroup:P6_3/m,id:mp-554303} |
| RD_516686733618_000 | computation | Reference Data From Materials Project: {formula:Ba3Cu2(ClO2)2,spaceGroup:Pmmb,id:mp-559757} |
| RD_516724138695_000 | computation | Reference Data From Materials Project: {formula:SbAs2Cl13,spaceGroup:Ccm2_1,id:mp-27786} |
| RD_516738580498_000 | computation | ClCs in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_516887393519_000 | computation | Reference Data From Materials Project: {formula:Rb2Hg2PdCl8,spaceGroup:C2/m,id:mp-568252} |
| RD_516961943271_000 | computation | ClK 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_517395353713_000 | computation | Reference Data From Materials Project: {formula:Cs2AgAuCl6,spaceGroup:I4/mmm,id:mp-567776} |
| RD_518026965773_000 | computation | Reference Data From Materials Project: {formula:Na3Ce5Cl18,spaceGroup:P-6,id:mp-675238} |
| RD_518095565759_000 | computation | Reference Data From Materials Project: {formula:Rb2PuCl6,spaceGroup:P6_3mc,id:mp-29336} |
| RD_518250388406_000 | computation | Reference Data From Materials Project: {formula:Cs2TeCl6,spaceGroup:Fm-3m,id:mp-23465} |
| RD_518602229700_000 | computation | Reference Data From Materials Project: {formula:H5CSN2Cl,spaceGroup:P4_12_12,id:mp-560045} |
| RD_519348382414_000 | computation | Reference Data From Materials Project: {formula:CaH12(ClO3)2,spaceGroup:P321,id:mp-23914} |
| RD_519418505477_000 | computation | Reference Data From Materials Project: {formula:H4WNCl6,spaceGroup:C2/c,id:mp-780738} |
| RD_519712020161_000 | computation | Reference Data From Materials Project: {formula:TaP4(SCl)5,spaceGroup:P2_1/c,id:mp-572763} |
| RD_519788632023_000 | computation | Reference Data From Materials Project: {formula:GdSeClO3,spaceGroup:Pmnb,id:mp-556551} |
| RD_520113161853_000 | computation | Reference Data From Materials Project: {formula:SnH8(NCl3)2,spaceGroup:Fm-3m,id:mp-23763} |
| RD_520188143223_000 | computation | Reference Data From Materials Project: {formula:CsPbCl3,spaceGroup:Pm-3m,id:mp-23037} |
| RD_521115353841_000 | computation | Reference Data From Materials Project: {formula:Na3YCl6,spaceGroup:P2_1/c,id:mp-31362} |
| RD_521869082344_000 | computation | Reference Data From Materials Project: {formula:Zr(TeCl)6,spaceGroup:Pcam,id:mp-31304} |
| RD_521918690821_000 | computation | Reference Data From Materials Project: {formula:AlH3NCl3,spaceGroup:Pbca,id:mp-759356} |
| RD_521981406799_000 | computation | Reference Data From Materials Project: {formula:Cs2SbCl6,spaceGroup:I4_1/amd,id:mp-615833} |
| RD_523127489799_000 | computation | Reference Data From Materials Project: {formula:CaH2CClO3,spaceGroup:C2/m,id:mp-644418} |
| RD_523162200058_000 | computation | Reference Data From Materials Project: {formula:KCl,spaceGroup:Fm-3m,id:mp-23193} |
| RD_523490270362_000 | computation | Reference Data From Materials Project: {formula:CsCdCl3,spaceGroup:P6_3/mmc,id:mp-619015} |
| RD_523564049556_000 | computation | Reference Data From Materials Project: {formula:Ba7(ClF6)2,spaceGroup:P-6,id:mp-23547} |
| RD_524014964409_000 | computation | Reference Data From Materials Project: {formula:La2TaCl3O4,spaceGroup:Pmmn,id:mp-559822} |
| RD_524200749717_000 | computation | Reference Data From Materials Project: {formula:CaClF,spaceGroup:P4/nmm,id:mp-27546} |
| RD_524217549533_000 | computation | Reference Data From Materials Project: {formula:SbCl5,spaceGroup:P6_3/mmc,id:mp-23176} |
| RD_524231204042_000 | computation | Reference Data From Materials Project: {formula:BeClO,spaceGroup:R-3m,id:mp-754163} |
| RD_525567775140_000 | computation | Reference Data From Materials Project: {formula:Rb3ClO,spaceGroup:Pnma,id:mp-755428} |
| RD_526331026917_000 | computation | Reference Data From Materials Project: {formula:Rb2PdN2(ClO2)2,spaceGroup:Cmce,id:mp-554602} |
| RD_526919944724_000 | computation | Reference Data From Materials Project: {formula:KRb3CdCl6,spaceGroup:R-3c,id:mp-570158} |
| RD_527145781928_000 | computation | Reference Data From Materials Project: {formula:HgCl,spaceGroup:I4/mmm,id:mp-22897} |
| RD_527362507325_000 | computation | Reference Data From Materials Project: {formula:KCu2H20N3(Cl2O)4,spaceGroup:P-4,id:mp-42805} |
| RD_527909602393_000 | computation | Reference Data From Materials Project: {formula:Rb2PdCl6,spaceGroup:Fm-3m,id:mp-28145} |
| RD_528095811659_000 | computation | Reference Data From Materials Project: {formula:Na7Al12Si12H6ClO48,spaceGroup:P1,id:mp-695601} |
| RD_528176897356_000 | computation | Reference Data From Materials Project: {formula:WCl5,spaceGroup:C2/m,id:mp-27160} |
| RD_528232670390_000 | computation | Reference Data From Materials Project: {formula:CaS2(ClO3)2,spaceGroup:Pcab,id:mp-556040} |
| RD_529665155028_000 | computation | Reference Data From Materials Project: {formula:ZrMo2Se8(Cl7O)2,spaceGroup:P2_1/c,id:mp-565934} |
| RD_529848190207_000 | computation | Reference Data From Materials Project: {formula:Nb3ClO7,spaceGroup:Pcmn,id:mp-29698} |
| RD_530259368019_000 | computation | Reference Data From Materials Project: {formula:Te3MoCl16,spaceGroup:Cmc2_1,id:mp-541868} |
| RD_530736988500_000 | computation | Reference Data From Materials Project: {formula:BiClO,spaceGroup:P4/nmm,id:mp-22939} |
| RD_530754774253_000 | computation | Reference Data From Materials Project: {formula:K2H2IrCl5O,spaceGroup:Pcmn,id:mp-23801} |
| RD_530839502679_000 | computation | Reference Data From Materials Project: {formula:SbAsPCl13,spaceGroup:Ccm2_1,id:mp-569209} |
| RD_530854063602_000 | computation | Reference Data From Materials Project: {formula:Ag2Pb8Cl4O7,spaceGroup:P2_1/c,id:mp-667327} |
| RD_531323613113_000 | computation | Reference Data From Materials Project: {formula:P5H5N6(Cl4O)2,spaceGroup:P-1,id:mp-707469} |
| RD_531939204530_000 | computation | Reference Data From Materials Project: {formula:Na2MgCl4,spaceGroup:Pmcb,id:mp-28657} |
| RD_532395725621_000 | computation | Reference Data From Materials Project: {formula:Gd2NCl3,spaceGroup:Pnab,id:mp-28279} |
| RD_532472408157_000 | computation | Reference Data From Materials Project: {formula:SnPCl9,spaceGroup:P-1,id:mp-28293} |
| RD_532968123219_000 | computation | Reference Data From Materials Project: {formula:Mo3H8C4SN2Cl6O7,spaceGroup:P2_1/c,id:mp-744073} |
| RD_533440815500_000 | computation | Reference Data From Materials Project: {formula:Ba3La2Cl12,spaceGroup:P4/mbm,id:mp-771914} |
| RD_533545784044_000 | computation | Reference Data From Materials Project: {formula:Cs3In2Cl9,spaceGroup:R-3c,id:mp-27172} |
| RD_534013352886_000 | computation | Reference Data From Materials Project: {formula:AgBi2Se3Cl,spaceGroup:P2_1/m,id:mp-569939} |
| RD_534127600156_000 | computation | Reference Data From Materials Project: {formula:ZnH8C4(N4Cl)2,spaceGroup:P2_1/c,id:mp-600171} |
| RD_534246640037_000 | computation | Reference Data From Materials Project: {formula:Sr3Bi(ClO)3,spaceGroup:Pnma,id:mp-558642} |
| RD_534636362326_000 | computation | ClK 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_534807195046_000 | computation | Reference Data From Materials Project: {formula:TaBi4ClO8,spaceGroup:P4/mmm,id:mp-558314} |
| RD_534832387718_000 | computation | Reference Data From Materials Project: {formula:NaCl,spaceGroup:Pm-3m,id:mp-22851} |
| RD_535334186130_000 | computation | Reference Data From Materials Project: {formula:K2HgH2Cl4O,spaceGroup:Pcma,id:mp-23926} |
| RD_535762279446_000 | computation | Reference Data From Materials Project: {formula:Cu2AsClO4,spaceGroup:P2_1/m,id:mp-617283} |
| RD_535908203419_000 | computation | Reference Data From Materials Project: {formula:Cu9Se4(Cl3O7)2,spaceGroup:P2_1/c,id:mp-680211} |
| RD_536397849979_000 | computation | Reference Data From Materials Project: {formula:K2CuS(ClO2)2,spaceGroup:Pmnb,id:mp-560601} |
| RD_536838569362_000 | computation | Reference Data From Materials Project: {formula:Cs2LiYCl6,spaceGroup:Fm-3m,id:mp-567652} |
| RD_536910150322_000 | computation | Reference Data From Materials Project: {formula:CsVCl3,spaceGroup:P6_3/mmc,id:mp-22977} |
| RD_537168600537_000 | computation | Reference Data From Materials Project: {formula:Rb2PbCl6,spaceGroup:Fm-3m,id:mp-23475} |
| RD_537336789679_000 | computation | Reference Data From Materials Project: {formula:AlC3(NCl2)3,spaceGroup:P-1,id:mp-607454} |
| RD_537404446578_000 | computation | Reference Data From Materials Project: {formula:CsVCl3,spaceGroup:P6_3/mmc,id:mp-22977} |
| RD_537999711515_000 | computation | Reference Data From Materials Project: {formula:LiTm2Cl5,spaceGroup:C2/c,id:mp-570542} |
| RD_538290454831_000 | computation | Reference Data From Materials Project: {formula:Nd3U(ClO2)3,spaceGroup:P6_3/m,id:mp-558533} |
| RD_538622035639_000 | computation | Reference Data From Materials Project: {formula:Pr3Si2ClO8,spaceGroup:C2/c,id:mp-554826} |
| RD_538884392740_000 | computation | Reference Data From Materials Project: {formula:Cs2GeCl6,spaceGroup:Fm-3m,id:mp-27882} |
| RD_539069483545_000 | computation | Reference Data From Materials Project: {formula:Li2UCl6,spaceGroup:P-31m,id:mp-676749} |
| RD_539150317977_000 | computation | Reference Data From Materials Project: {formula:WSeS2Cl5,spaceGroup:C2/c,id:mp-573078} |
| RD_540427340767_000 | computation | Reference Data From Materials Project: {formula:Ba2P7Cl,spaceGroup:P2_1/m,id:mp-569613} |
| RD_540476138922_000 | computation | Reference Data From Materials Project: {formula:K2RuCl6,spaceGroup:Fm-3m,id:mp-23471} |
| RD_540720538076_000 | computation | Reference Data From Materials Project: {formula:Sc2CCl2,spaceGroup:P-3m1,id:mp-28479} |
| RD_541150762784_000 | computation | Reference Data From Materials Project: {formula:Ba3Y2Cl12,spaceGroup:P2_1/c,id:mp-768957} |
| RD_541509610891_000 | computation | Reference Data From Materials Project: {formula:Re3Te4Cl5,spaceGroup:P2_1cn,id:mp-29114} |
| RD_541569894329_000 | computation | Reference Data From Materials Project: {formula:TlPbCl3,spaceGroup:Fm2m,id:mp-676598} |
| RD_542247287638_000 | computation | Reference Data From Materials Project: {formula:Ca2VClO4,spaceGroup:Pbcm,id:mp-566768} |
| RD_542343328474_000 | computation | Reference Data From Materials Project: {formula:LiGaCl4,spaceGroup:P2_1/c,id:mp-28341} |
| RD_542672924271_000 | computation | Reference Data From Materials Project: {formula:Cu3NiH6(ClO3)2,spaceGroup:R-3m,id:mp-566425} |
| RD_543030067287_000 | computation | Reference Data From Materials Project: {formula:NaMnCl3,spaceGroup:R-3,id:mp-27176} |
| RD_543637408277_000 | computation | Reference Data From Materials Project: {formula:BiPbClO2,spaceGroup:Cmcm,id:mp-23084} |
| RD_543660400510_000 | computation | Reference Data From Materials Project: {formula:Sr2Co(ClO)2,spaceGroup:I4/mmm,id:mp-24840} |
| RD_543768757912_000 | computation | Reference Data From Materials Project: {formula:SNClO,spaceGroup:P2_1/c,id:mp-667281} |
| RD_544089468080_000 | computation | Reference Data From Materials Project: {formula:Na3HoCl6,spaceGroup:P2_1/c,id:mp-29836} |
| RD_544147722281_000 | computation | Reference Data From Materials Project: {formula:Pb(ClO3)2,spaceGroup:F2dd,id:mp-28513} |
| RD_544529526917_000 | computation | Reference Data From Materials Project: {formula:MnH12C2NCl3O2,spaceGroup:Cmce,id:mp-744831} |
| RD_545097609354_000 | computation | Reference Data From Materials Project: {formula:Rb2CoCl4,spaceGroup:Pmnb,id:mp-23076} |
| RD_545645341674_000 | computation | Reference Data From Materials Project: {formula:ZrS4(N2Cl3)2,spaceGroup:P-1,id:mp-559350} |
| RD_545894976393_000 | computation | Reference Data From Materials Project: {formula:NaGdCl4,spaceGroup:P-1,id:mp-28156} |
| RD_545980119986_000 | computation | Reference Data From Materials Project: {formula:SrBiClO2,spaceGroup:Cmcm,id:mp-547244} |
| RD_546044186770_000 | computation | Reference Data From Materials Project: {formula:CsReBrCl3,spaceGroup:Cc2m,id:mp-568854} |
| RD_546128129103_000 | computation | Reference Data From Materials Project: {formula:La2B3Cl,spaceGroup:P-6,id:mp-569121} |
| RD_546546594630_000 | computation | Reference Data From Materials Project: {formula:Hg3Cl4O,spaceGroup:P2_13,id:mp-23333} |
| RD_546871036088_000 | computation | Reference Data From Materials Project: {formula:Cd5P3ClO12,spaceGroup:P6_3/m,id:mp-23643} |
| RD_547218087395_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_547836570376_000 | computation | Reference Data From Materials Project: {formula:SiAg5ClO4,spaceGroup:P2_1/c,id:mp-647305} |
| RD_547865128011_000 | computation | Reference Data From Materials Project: {formula:W(ClO)2,spaceGroup:Pcm2_1,id:mp-32539} |
| RD_548106947819_000 | computation | Reference Data From Materials Project: {formula:CsAgCl3,spaceGroup:I4/mmm,id:mp-28610} |
| RD_548335700795_000 | computation | ClRb in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_548496277671_000 | computation | Reference Data From Materials Project: {formula:TaP2NCl12,spaceGroup:C2/c,id:mp-669508} |
| RD_548837921842_000 | computation | Reference Data From Materials Project: {formula:Mg(AlCl4)2,spaceGroup:C2/c,id:mp-542463} |
| RD_548935749893_000 | computation | Reference Data From Materials Project: {formula:AlPH8(CCl2)2,spaceGroup:P2_1/c,id:mp-569751} |
| RD_549545533687_000 | computation | Reference Data From Materials Project: {formula:Gd2CCl2,spaceGroup:P-3m1,id:mp-29394} |
| RD_549606743719_000 | computation | Reference Data From Materials Project: {formula:TiAuCl,spaceGroup:F-43m,id:mp-962077} |
| RD_549859630013_000 | computation | Reference Data From Materials Project: {formula:TiHg6As4Cl7,spaceGroup:Pa3,id:mp-570995} |
| RD_550791695935_000 | computation | Reference Data From Materials Project: {formula:TbCs2KCl6,spaceGroup:Fm-3m,id:mp-580631} |
| RD_550853165673_000 | computation | Reference Data From Materials Project: {formula:PuCl2,spaceGroup:P4_2/mnm,id:mp-867358} |
| RD_550882224805_000 | computation | Reference Data From Materials Project: {formula:As3Pb5ClO9,spaceGroup:P6_3/m,id:mp-510724} |
| RD_551325895187_000 | computation | Reference Data From Materials Project: {formula:Na4Ga3Si3ClO12,spaceGroup:P-43n,id:mp-23656} |
| RD_551443882592_000 | computation | Reference Data From Materials Project: {formula:BaGdCl5,spaceGroup:C2/c,id:mp-29538} |
| RD_551811597870_000 | computation | Reference Data From Materials Project: {formula:KNa22C2S9ClO42,spaceGroup:P6_3/m,id:mp-23660} |
| RD_552146257165_000 | computation | Reference Data From Materials Project: {formula:Re2CuCl,spaceGroup:Fm-3m,id:mp-631418} |
| RD_552194018960_000 | computation | Reference Data From Materials Project: {formula:H4NClO4,spaceGroup:Pna2_1,id:mp-698084} |
| RD_552346486095_000 | computation | Reference Data From Materials Project: {formula:H16RhN5(Cl2O)3,spaceGroup:R32,id:mp-866658} |
| RD_552553595734_000 | computation | Reference Data From Materials Project: {formula:AgClO4,spaceGroup:F-43m,id:mp-551758} |
| RD_552704090819_000 | computation | Reference Data From Materials Project: {formula:Cs4BiSbCl12,spaceGroup:I4_1/amd,id:mp-23583} |
| RD_553371210351_000 | computation | Reference Data From Materials Project: {formula:P6N7Cl9,spaceGroup:C2/c,id:mp-650015} |
| RD_553416448674_000 | computation | Reference Data From Materials Project: {formula:Ba5As3ClO12,spaceGroup:P6_3/m,id:mp-556761} |
| RD_553519162556_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_553961015925_000 | computation | Reference Data From Materials Project: {formula:SCl2O,spaceGroup:P2_1/c,id:mp-28406} |
| RD_554329219495_000 | computation | Reference Data From Materials Project: {formula:H8Pt(NCl3)2,spaceGroup:Fm-3m,id:mp-24227} |
| RD_554439679055_000 | computation | Reference Data From Materials Project: {formula:CdSbS2Cl,spaceGroup:Pmnb,id:mp-557049} |
| RD_554456037071_000 | computation | Reference Data From Materials Project: {formula:CuH8C2NCl3,spaceGroup:P-1,id:mp-698414} |
| RD_554486353954_000 | computation | Reference Data From Materials Project: {formula:La2C2Cl,spaceGroup:C2/c,id:mp-567694} |
| RD_554837091242_000 | computation | Reference Data From Materials Project: {formula:K2OsCl6,spaceGroup:Fm-3m,id:mp-23533} |
| RD_555254122325_000 | computation | Reference Data From Materials Project: {formula:Ba3Si3N5ClO,spaceGroup:Cc,id:mp-677613} |
| RD_555406903951_000 | computation | Reference Data From Materials Project: {formula:Fe2P3C8N3(ClO2)4,spaceGroup:P2_1,id:mp-705041} |
| RD_555662966548_000 | computation | Reference Data From Materials Project: {formula:Cs3Np(Cl2O)2,spaceGroup:C2/c,id:mp-23636} |
| RD_555767659664_000 | computation | Reference Data From Materials Project: {formula:MoSeCl7O,spaceGroup:P-1,id:mp-573045} |
| RD_555854232457_000 | computation | Reference Data From Materials Project: {formula:CsMn2V2ClO7,spaceGroup:P2cm,id:mp-566592} |
| RD_556866168973_000 | computation | Reference Data From Materials Project: {formula:Na8BeAl4Si7(ClO12)2,spaceGroup:P-4,id:mp-42583} |
| RD_556869268559_000 | computation | Reference Data From Materials Project: {formula:CaFeClO2,spaceGroup:P1,id:mp-611630} |
| RD_557292068615_000 | computation | Reference Data From Materials Project: {formula:Ti7Cl16,spaceGroup:Pmnn,id:mp-540671} |
| RD_557606801071_000 | computation | Reference Data From Materials Project: {formula:CsHgCl3,spaceGroup:P3_2,id:mp-29845} |
| RD_557677465861_000 | computation | Reference Data From Materials Project: {formula:Ba2Ni2ClF7,spaceGroup:P2_1/m,id:mp-565891} |
| RD_558185736098_000 | computation | Reference Data From Materials Project: {formula:AuSCl5,spaceGroup:P2_1/c,id:mp-28192} |
| RD_558288941414_000 | computation | Reference Data From Materials Project: {formula:H3ClO5,spaceGroup:Pn2_1a,id:mp-625175} |
| RD_558328834023_000 | computation | Reference Data From Materials Project: {formula:SbP(Cl2F3)2,spaceGroup:P4/n,id:mp-559301} |
| RD_559089980480_000 | computation | Reference Data From Materials Project: {formula:CsLaZr6FeCl18,spaceGroup:P-31c,id:mp-569543} |
| RD_559176068653_000 | computation | Reference Data From Materials Project: {formula:Rb3Mo2Cl9,spaceGroup:P6_3/mmc,id:mp-29458} |
| RD_559653886473_000 | computation | Reference Data From Materials Project: {formula:Ca2BN2Cl,spaceGroup:Pmcn,id:mp-23632} |
| RD_559659321617_000 | computation | Reference Data From Materials Project: {formula:NaScCl4,spaceGroup:Pcnb,id:mp-29432} |
| RD_559687577093_000 | computation | Reference Data From Materials Project: {formula:Ba5Al2In2IrClO13,spaceGroup:P6_3/mmc,id:mp-559534} |
| RD_559752545072_000 | computation | Reference Data From Materials Project: {formula:AlSeS2N2Cl5,spaceGroup:P2_1/c,id:mp-556831} |
| RD_560421125480_000 | computation | Reference Data From Materials Project: {formula:Ba6Ru2Pt(ClO6)2,spaceGroup:P-3m1,id:mp-554949} |
| RD_560485119893_000 | computation | Reference Data From Materials Project: {formula:SiH8C2NClO,spaceGroup:P-1,id:mp-560249} |
| RD_560653881510_000 | computation | Reference Data From Materials Project: {formula:Ca5P3ClO12,spaceGroup:P6_3/m,id:mp-554236} |
| RD_561880313690_000 | computation | Reference Data From Materials Project: {formula:Nd3SiS6Cl,spaceGroup:Pmnb,id:mp-559779} |
| RD_562006672168_000 | computation | Reference Data From Materials Project: {formula:SrNi2Te3(ClO4)2,spaceGroup:P2_1/c,id:mp-646605} |
| RD_562205452198_000 | computation | Reference Data From Materials Project: {formula:CuMo3Cl7,spaceGroup:Pn3,id:mp-568397} |
| RD_562772701657_000 | computation | Reference Data From Materials Project: {formula:Re(TeCl6)2,spaceGroup:R-3,id:mp-581449} |
| RD_563709567656_000 | computation | Reference Data From Materials Project: {formula:SnH20C6(NCl3)2,spaceGroup:Pa3,id:mp-570348} |
| RD_563755922948_000 | computation | Reference Data From Materials Project: {formula:HCl,spaceGroup:Imm2,id:mp-684609} |
| RD_564166262316_000 | computation | Reference Data From Materials Project: {formula:HgH16C6(N2Cl)2,spaceGroup:C2/c,id:mp-736272} |
| RD_564222828043_000 | computation | Reference Data From Materials Project: {formula:H8C2NCl,spaceGroup:Ibam,id:mp-697721} |
| RD_564544527020_000 | computation | Reference Data From Materials Project: {formula:K2UCl5,spaceGroup:Pcmn,id:mp-28496} |
| RD_564571757983_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_565064068270_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_565223856243_000 | computation | Reference Data From Materials Project: {formula:CsTa6PbCl18,spaceGroup:P-31c,id:mp-680159} |
| RD_565252134651_000 | computation | Reference Data From Materials Project: {formula:Cs3Sc2Cl9,spaceGroup:R-3c,id:mp-637194} |
| RD_565256412957_000 | computation | Reference Data From Materials Project: {formula:CdCoH18N6Cl5,spaceGroup:Fd-3c,id:mp-24430} |
| RD_565504005462_000 | computation | Reference Data From Materials Project: {formula:K3TiCl6,spaceGroup:P2_1/c,id:mp-657234} |
| RD_565576655191_000 | computation | Reference Data From Materials Project: {formula:RuCl3,spaceGroup:P3_112,id:mp-570997} |
| RD_566109811782_000 | computation | Reference Data From Materials Project: {formula:Cd3(ClO)2,spaceGroup:P2_1/c,id:mp-29297} |
| RD_566240313556_000 | computation | Reference Data From Materials Project: {formula:GaCl3,spaceGroup:C2/m,id:mp-30952} |
| RD_566376003175_000 | computation | Reference Data From Materials Project: {formula:CuCl4,spaceGroup:I-42m,id:mp-32829} |
| RD_566716790718_000 | computation | Reference Data From Materials Project: {formula:Li2MnCl4,spaceGroup:Ibmm,id:mp-675083} |
| RD_567116283153_000 | computation | ClRb in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_568039669348_000 | computation | Reference Data From Materials Project: {formula:CsCu2Cl3,spaceGroup:Ccmm,id:mp-23065} |
| RD_568243249092_000 | computation | Reference Data From Materials Project: {formula:OsCl4,spaceGroup:Cmmm,id:mp-571035} |
| RD_568629061401_000 | computation | Reference Data From Materials Project: {formula:ErSCl,spaceGroup:Pmmn,id:mp-27616} |
| RD_568769783211_000 | computation | Reference Data From Materials Project: {formula:Hg2PCl2,spaceGroup:C2/m,id:mp-29679} |
| RD_569901514715_000 | computation | Reference Data From Materials Project: {formula:Rb4Zr6CCl18,spaceGroup:C2/m,id:mp-862605} |
| RD_569914021189_000 | computation | Reference Data From Materials Project: {formula:NaZn4H18SClO16,spaceGroup:P-3,id:mp-849796} |
| RD_570640234691_000 | computation | Reference Data From Materials Project: {formula:Cs2SeCl6,spaceGroup:Fm-3m,id:mp-27830} |
| RD_570732511572_000 | computation | Reference Data From Materials Project: {formula:Na2CrCl4,spaceGroup:P2_1/c,id:mp-28716} |
| RD_571012315262_000 | computation | ClRb in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_572014739607_000 | computation | Reference Data From Materials Project: {formula:P2IrClF6,spaceGroup:P2_1/c,id:mp-559182} |
| RD_572113630407_000 | computation | Reference Data From Materials Project: {formula:Hf3(Bi5Cl9)2,spaceGroup:P6_3,id:mp-530409} |
| RD_572337564792_000 | computation | Reference Data From Materials Project: {formula:Rb2MnV2(ClO3)2,spaceGroup:P1,id:mp-699008} |
| RD_573205607375_000 | computation | Reference Data From Materials Project: {formula:Cs3Sb2Cl9,spaceGroup:P321,id:mp-567196} |
| RD_573413369767_000 | computation | Reference Data From Materials Project: {formula:K6LiFe24S26Cl,spaceGroup:Pm-3m,id:mp-532767} |
| RD_573714426331_000 | computation | Reference Data From Materials Project: {formula:Na6S2ClO8F,spaceGroup:Fm-3m,id:mp-23657} |
| RD_574266650935_000 | computation | Reference Data From Materials Project: {formula:LiNb6Cl19,spaceGroup:Pcmm,id:mp-29985} |
| RD_574330553785_000 | computation | Reference Data From Materials Project: {formula:La5Ti6S3(ClO5)3,spaceGroup:C2/m,id:mp-690978} |
| RD_574572681812_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_574710608163_000 | computation | Reference Data From Materials Project: {formula:Ba2YCl7,spaceGroup:P2_1/c,id:mp-768973} |
| RD_575042743216_000 | computation | Reference Data From Materials Project: {formula:H8PtN2(ClO)2,spaceGroup:P2_1/c,id:mp-23858} |
| RD_575441290378_000 | computation | Reference Data From Materials Project: {formula:Tl3Hg2S3ClO12,spaceGroup:P2_1,id:mp-554279} |
| RD_575704832576_000 | computation | Reference Data From Materials Project: {formula:Li4Be3P3ClO12,spaceGroup:P-43n,id:mp-560894} |
| RD_575971205165_000 | computation | Reference Data From Materials Project: {formula:PbClF,spaceGroup:P4/nmm,id:mp-22964} |
| RD_576139019434_000 | computation | Reference Data From Materials Project: {formula:VH11N3Cl5,spaceGroup:Pnma,id:mp-720859} |
| RD_576340306835_000 | computation | Reference Data From Materials Project: {formula:NaSn2Cl5,spaceGroup:Pnmn,id:mp-28947} |
| RD_576900933501_000 | computation | Reference Data From Materials Project: {formula:SiH9C3Cl,spaceGroup:P2_1/m,id:mp-867818} |
| RD_577455355783_000 | computation | Reference Data From Materials Project: {formula:VINCl3,spaceGroup:P-1,id:mp-570829} |
| RD_577517988732_000 | computation | Reference Data From Materials Project: {formula:Sb4Cl2O5,spaceGroup:P2_1/c,id:mp-23419} |
| RD_577661198628_000 | computation | Reference Data From Materials Project: {formula:PSeCl9,spaceGroup:I2cm,id:mp-662547} |
| RD_577790038709_000 | computation | Reference Data From Materials Project: {formula:Ti(AlCl4)2,spaceGroup:P2_1/c,id:mp-570951} |
| RD_577834115802_000 | computation | Reference Data From Materials Project: {formula:TmCl2,spaceGroup:Pcab,id:mp-27302} |
| RD_578112965954_000 | computation | Reference Data From Materials Project: {formula:SbCl5,spaceGroup:P2_1/c,id:mp-570796} |
| RD_578480680031_000 | computation | Reference Data From Materials Project: {formula:TiCl2,spaceGroup:P-3m1,id:mp-28116} |
| RD_578689236741_000 | computation | Reference Data From Materials Project: {formula:YbCs2NaCl6,spaceGroup:Fm-3m,id:mp-567172} |
| RD_578938029262_000 | computation | Reference Data From Materials Project: {formula:ReCl3,spaceGroup:R-3m,id:mp-23174} |
| RD_579921336925_000 | computation | Reference Data From Materials Project: {formula:UCl3,spaceGroup:P6_3/m,id:mp-23208} |
| RD_580477518902_000 | computation | Reference Data From Materials Project: {formula:Hg2AsCl2,spaceGroup:C2/m,id:mp-28224} |
| RD_580645438759_000 | computation | Reference Data From Materials Project: {formula:Pr4C2Cl5,spaceGroup:Immm,id:mp-570498} |
| RD_581191368469_000 | computation | Reference Data From Materials Project: {formula:KMnCl3,spaceGroup:Pbnm,id:mp-23049} |
| RD_581210789287_000 | computation | Reference Data From Materials Project: {formula:NaCl,spaceGroup:Fm-3m,id:mp-22862} |
| RD_581428534835_000 | computation | Reference Data From Materials Project: {formula:HPb3ClO3,spaceGroup:Pmc2_1,id:mp-699229} |
| RD_581921106678_000 | computation | Reference Data From Materials Project: {formula:ScH3NCl3,spaceGroup:P-1,id:mp-24741} |
| RD_582067215108_000 | computation | Reference Data From Materials Project: {formula:Cs3BiCl6,spaceGroup:C2/c,id:mp-570123} |
| RD_582199237660_000 | computation | ClK 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_582369646777_000 | computation | Reference Data From Materials Project: {formula:SnH22(Cl3O5)2,spaceGroup:P2_1/c,id:mp-554808} |
| RD_582500362879_000 | computation | Reference Data From Materials Project: {formula:Dy(ClO4)3,spaceGroup:P6_3/m,id:mp-768147} |
| RD_582713480938_000 | computation | Reference Data From Materials Project: {formula:FeH8(ClO2)2,spaceGroup:P2_1/c,id:mp-744948} |
| RD_582813629459_000 | computation | Reference Data From Materials Project: {formula:CsAgCl2,spaceGroup:P4/nmm,id:mp-567558} |
| RD_583277502703_000 | computation | Reference Data From Materials Project: {formula:Sc(ClO4)3,spaceGroup:P6_3/m,id:mp-769148} |
| RD_583772980757_000 | computation | Reference Data From Materials Project: {formula:Bi2Se2Cl7,spaceGroup:P4/n,id:mp-29843} |
| RD_583879894991_000 | computation | Reference Data From Materials Project: {formula:ClO2,spaceGroup:Pcab,id:mp-23207} |
| RD_583946656973_000 | computation | Reference Data From Materials Project: {formula:TlBCl2,spaceGroup:F-43m,id:mp-631519} |
| RD_584773126070_000 | computation | Reference Data From Materials Project: {formula:YCl3,spaceGroup:C2/m,id:mp-27455} |
| RD_585283496228_000 | computation | Reference Data From Materials Project: {formula:ZrCl4,spaceGroup:P2/c,id:mp-569175} |
| RD_585633711926_000 | computation | Reference Data From Materials Project: {formula:Ho11Te16ClO48,spaceGroup:P-1,id:mp-557285} |
| RD_586525339976_000 | computation | Reference Data From Materials Project: {formula:AlTeCl7,spaceGroup:P-1,id:mp-571179} |
| RD_586552627392_000 | computation | Reference Data From Materials Project: {formula:NiH16(ClO8)2,spaceGroup:P2_1/c,id:mp-868356} |
| RD_586796958735_000 | computation | Reference Data From Materials Project: {formula:AsCl3O,spaceGroup:P2_1/c,id:mp-29863} |
| RD_586797047883_000 | computation | Reference Data From Materials Project: {formula:Cs2Nb6PbCl18,spaceGroup:R-3,id:mp-569465} |
| RD_587665953062_000 | computation | ClK 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_589413112089_000 | computation | Reference Data From Materials Project: {formula:Cs2KScCl6,spaceGroup:Fm-3m,id:mp-571124} |
| RD_589503873940_000 | computation | Reference Data From Materials Project: {formula:H4NClO,spaceGroup:P2_1/c,id:mp-24019} |
| RD_589791730283_000 | computation | Reference Data From Materials Project: {formula:Rb4CdCl6,spaceGroup:C2/c,id:mp-644445} |
| RD_589820296227_000 | computation | Reference Data From Materials Project: {formula:Ce5C2Cl9,spaceGroup:P-1,id:mp-627409} |
| RD_589823152096_000 | computation | Reference Data From Materials Project: {formula:CsCrCl3,spaceGroup:P6_3mc,id:mp-610955} |
| RD_589990511956_000 | computation | Reference Data From Materials Project: {formula:NbCl3O,spaceGroup:P-42_1m,id:mp-556422} |
| RD_590150173266_000 | computation | Reference Data From Materials Project: {formula:TbCl2F,spaceGroup:C2/c,id:mp-560119} |
| RD_590291867013_000 | computation | Reference Data From Materials Project: {formula:HPbClO,spaceGroup:C2/m,id:mp-643364} |
| RD_590391697787_000 | computation | Reference Data From Materials Project: {formula:Ca3WCl2O5,spaceGroup:Pmcn,id:mp-565908} |
| RD_590657236737_000 | computation | Reference Data From Materials Project: {formula:Na2AlH4ClO4,spaceGroup:P4/nmm,id:mp-643248} |
| RD_590789856317_000 | computation | Reference Data From Materials Project: {formula:MoCl4,spaceGroup:P-31m,id:mp-569005} |
| RD_590872148082_000 | computation | Reference Data From Materials Project: {formula:B2IrCl,spaceGroup:Fm-3m,id:mp-631586} |
| RD_591068797173_000 | computation | Reference Data From Materials Project: {formula:NbCl3O,spaceGroup:P4_2/mnm,id:mp-27815} |
| RD_591076761391_000 | computation | Reference Data From Materials Project: {formula:Ca11AlSi3ClO18,spaceGroup:Fmm2,id:mp-677078} |
| RD_591169688477_000 | computation | Reference Data From Materials Project: {formula:Ba7Ru4Cl2O15,spaceGroup:R-3m,id:mp-554143} |
| RD_591191309161_000 | computation | Reference Data From Materials Project: {formula:Sr2Co(ClO)2,spaceGroup:Immm,id:mp-560610} |
| RD_591320726064_000 | computation | Reference Data From Materials Project: {formula:NaPr2Cl6,spaceGroup:P2_1/c,id:mp-677308} |
| RD_591599619539_000 | computation | Reference Data From Materials Project: {formula:Cs3Ru2Cl9,spaceGroup:P6_3/mmc,id:mp-541646} |
| RD_591733252822_000 | computation | Reference Data From Materials Project: {formula:CrH12(ClO2)3,spaceGroup:R-3c,id:mp-745175} |
| RD_592357427283_000 | computation | Reference Data From Materials Project: {formula:U2Cl5O2,spaceGroup:Cmmm,id:mp-27661} |
| RD_592866000600_000 | computation | Reference Data From Materials Project: {formula:BaZnCl4,spaceGroup:Pnan,id:mp-23373} |
| RD_592948081609_000 | computation | Reference Data From Materials Project: {formula:CuH8CN5Cl3,spaceGroup:P2_1/c,id:mp-707852} |
| RD_593341356065_000 | computation | Reference Data From Materials Project: {formula:Nb3Cl7,spaceGroup:Cmce,id:mp-27880} |
| RD_593550329620_000 | computation | Reference Data From Materials Project: {formula:Hg12SbBr(ClO3)2,spaceGroup:P3,id:mp-642625} |
| RD_593606726548_000 | computation | Reference Data From Materials Project: {formula:Ba6YCl15,spaceGroup:C2/c,id:mp-777883} |
| RD_594178822957_000 | computation | Reference Data From Materials Project: {formula:GaCoPH18C9NCl2O3,spaceGroup:P2_1/m,id:mp-605176} |
| RD_594200079393_000 | computation | Reference Data From Materials Project: {formula:SbI3(BrCl3)2,spaceGroup:P-1,id:mp-570962} |
| RD_594475736865_000 | computation | Reference Data From Materials Project: {formula:Hg2C(NCl)2,spaceGroup:P2_1/c,id:mp-568433} |
| RD_595245099857_000 | computation | Reference Data From Materials Project: {formula:Na3W3Cl13,spaceGroup:P2_1/c,id:mp-583762} |
| RD_595471857924_000 | computation | Reference Data From Materials Project: {formula:As2Pb4S6ICl,spaceGroup:Pm2_1n,id:mp-561299} |
| RD_596088916777_000 | computation | Reference Data From Materials Project: {formula:Tb3Si2Cl5O6,spaceGroup:C2/m,id:mp-555097} |
| RD_596597092382_000 | computation | Reference Data From Materials Project: {formula:KLa5(CCl5)2,spaceGroup:P2_1/c,id:mp-571240} |
| RD_596803083874_000 | computation | Reference Data From Materials Project: {formula:NaNbCl6,spaceGroup:P2_1/c,id:mp-28178} |
| RD_596951647829_000 | computation | Reference Data From Materials Project: {formula:Tl4V5CdClO15,spaceGroup:P4,id:mp-565410} |
| RD_597779907216_000 | computation | Reference Data From Materials Project: {formula:As3Pb5ClO12,spaceGroup:P6_3/m,id:mp-645291} |
| RD_597785129811_000 | computation | Reference Data From Materials Project: {formula:K2CoCl4,spaceGroup:P2_1/c,id:mp-571314} |
| RD_598029931911_000 | computation | Reference Data From Materials Project: {formula:MoSCl7O,spaceGroup:P2_1/c,id:mp-699535} |
| RD_598034860233_000 | computation | Reference Data From Materials Project: {formula:MgH24C6N12(ClO6)2,spaceGroup:P2_1/c,id:mp-707907} |
| RD_598038472755_000 | computation | Reference Data From Materials Project: {formula:B4CCl6O,spaceGroup:R3m,id:mp-545479} |
| RD_598108620532_000 | computation | Reference Data From Materials Project: {formula:CsCuCl3,spaceGroup:P6_3/mmc,id:mp-675287} |
| RD_598133217621_000 | computation | Reference Data From Materials Project: {formula:Sr2MnClO3,spaceGroup:P4/nmm,id:mp-561903} |
| RD_598277916076_000 | computation | Reference Data From Materials Project: {formula:KHg2S(ClO)3,spaceGroup:Ccm2_1,id:mp-559765} |
| RD_598376069684_000 | computation | Reference Data From Materials Project: {formula:LaSClO4,spaceGroup:P2_1/c,id:mp-559820} |
| RD_598581225583_000 | computation | Reference Data From Materials Project: {formula:AlSCl3O2,spaceGroup:P-1,id:mp-556418} |
| RD_598659501255_000 | computation | Reference Data From Materials Project: {formula:CuH8C2NCl3,spaceGroup:C2/c,id:mp-698413} |
| RD_598880693315_000 | computation | Reference Data From Materials Project: {formula:TiNCl,spaceGroup:Pmmn,id:mp-27850} |
| RD_599052074666_000 | computation | Reference Data From Materials Project: {formula:Cu3Se2(ClO3)2,spaceGroup:C2/m,id:mp-557136} |
| RD_599449924691_000 | computation | Reference Data From Materials Project: {formula:Ba6Ru2Pt(ClO6)2,spaceGroup:P-3m1,id:mp-554949} |
| RD_599734639141_000 | computation | Reference Data From Materials Project: {formula:CaEr15Si8Se11ClO28,spaceGroup:Cm,id:mp-720985} |
| RD_599819155764_000 | computation | Reference Data From Materials Project: {formula:Zr(TeCl6)2,spaceGroup:R-3c,id:mp-569684} |
| RD_599942823462_000 | computation | Reference Data From Materials Project: {formula:BaLaCl5,spaceGroup:P2_1/c,id:mp-772063} |
| RD_600050789564_000 | computation | Reference Data From Materials Project: {formula:Na3ErCl6,spaceGroup:P2_1/c,id:mp-28542} |
| RD_600284304366_000 | computation | Reference Data From Materials Project: {formula:Rb2TiCl6,spaceGroup:Fm-3m,id:mp-27827} |
| RD_600650168285_000 | computation | Reference Data From Materials Project: {formula:IrCl3,spaceGroup:P6_3/mmc,id:mp-865956} |
| RD_601293238897_000 | computation | ClNa in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_601320071993_000 | computation | Reference Data From Materials Project: {formula:CsWCl6,spaceGroup:C2/c,id:mp-30974} |
| RD_601394360016_000 | computation | Reference Data From Materials Project: {formula:YCl,spaceGroup:R-3m,id:mp-540884} |
| RD_601459850121_000 | computation | Reference Data From Materials Project: {formula:Nb3TlVCl11,spaceGroup:Pmnb,id:mp-680696} |
| RD_601563863888_000 | computation | Reference Data From Materials Project: {formula:H7C3N6Cl,spaceGroup:C2/m,id:mp-761870} |
| RD_602349462880_000 | computation | Reference Data From Materials Project: {formula:MgCl2O,spaceGroup:P2_1/c,id:mp-754645} |
| RD_602446592148_000 | computation | Reference Data From Materials Project: {formula:Te6H6S(Cl13O2)2,spaceGroup:Cm,id:mp-676473} |
| RD_602520186179_000 | computation | Reference Data From Materials Project: {formula:SeS4N3Cl5,spaceGroup:P2_12_12_1,id:mp-572707} |
| RD_603291955707_000 | computation | Reference Data From Materials Project: {formula:Cs2SeCl6,spaceGroup:Fm-3m,id:mp-27830} |
| RD_603515412823_000 | computation | Reference Data From Materials Project: {formula:RbVCl3,spaceGroup:P6_3/mmc,id:mp-23319} |
| RD_603635681271_000 | computation | Reference Data From Materials Project: {formula:SrCo2Te3(ClO4)2,spaceGroup:P2_1/c,id:mp-646431} |
| RD_603908999313_000 | computation | Reference Data From Materials Project: {formula:Cs2ReCl6,spaceGroup:Fm-3m,id:mp-567942} |
| RD_604061297221_000 | computation | Reference Data From Materials Project: {formula:Ba6Ru3(ClO6)2,spaceGroup:P-3m1,id:mp-558595} |
| RD_604109831778_000 | computation | ClNa in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_604409577287_000 | computation | Reference Data From Materials Project: {formula:Eu2C(NCl)2,spaceGroup:C2/m,id:mp-582618} |
| RD_604734312884_000 | computation | Reference Data From Materials Project: {formula:La(ClO4)3,spaceGroup:R3c,id:mp-780362} |
| RD_604855321791_000 | computation | Reference Data From Materials Project: {formula:FeS3(NCl2)2,spaceGroup:P2_1/c,id:mp-556297} |
| RD_605336811228_000 | computation | Reference Data From Materials Project: {formula:AuC5(SCl)4,spaceGroup:C2/m,id:mp-652180} |
| RD_605537383255_000 | computation | Reference Data From Materials Project: {formula:PS2N3Cl2(OF)2,spaceGroup:P2_1/c,id:mp-558888} |
| RD_605973683428_000 | computation | Reference Data From Materials Project: {formula:Ca2B5H2ClO10,spaceGroup:P1,id:mp-721300} |
| RD_605974975558_000 | computation | Reference Data From Materials Project: {formula:Os(SeCl6)2,spaceGroup:Fd2d,id:mp-582444} |
| RD_606423251245_000 | computation | ClRb in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_606687201686_000 | computation | Reference Data From Materials Project: {formula:CuAs2Pb6Cl7O6,spaceGroup:R3,id:mp-677164} |
| RD_606922788498_000 | computation | Reference Data From Materials Project: {formula:Cs2ThCl6,spaceGroup:P-3m1,id:mp-27501} |
| RD_606952359739_000 | computation | Reference Data From Materials Project: {formula:ZnH12N4Cl4O3,spaceGroup:Pnma,id:mp-762311} |
| RD_607283695164_000 | computation | Reference Data From Materials Project: {formula:MoCl3,spaceGroup:P-31c,id:mp-684640} |
| RD_607344258884_000 | computation | Reference Data From Materials Project: {formula:Dy(ClO4)3,spaceGroup:R3c,id:mp-768166} |
| RD_607501560866_000 | computation | Reference Data From Materials Project: {formula:CoH16C4(NCl2)2,spaceGroup:P2_1/c,id:mp-600196} |
| RD_607551862624_000 | computation | Reference Data From Materials Project: {formula:Cs3ZnCl5,spaceGroup:I4/mcm,id:mp-570262} |
| RD_607803011911_000 | computation | Reference Data From Materials Project: {formula:LiCuH4Cl3O2,spaceGroup:P2_1/c,id:mp-722280} |
| RD_608360592903_000 | computation | Reference Data From Materials Project: {formula:SnH16C4(NCl3)2,spaceGroup:Pmnn,id:mp-570712} |
| RD_608893717743_000 | computation | Reference Data From Materials Project: {formula:GaCuCl4,spaceGroup:P-42c,id:mp-29362} |
| RD_609100860356_000 | computation | Reference Data From Materials Project: {formula:TeMoCl7O,spaceGroup:P2_1/c,id:mp-617022} |
| RD_609285879455_000 | computation | Reference Data From Materials Project: {formula:Sr2LaCl7,spaceGroup:Pnma,id:mp-771833} |
| RD_609529796810_000 | computation | Reference Data From Materials Project: {formula:CaHCl,spaceGroup:P4/nmm,id:mp-23859} |
| RD_609566342752_000 | computation | Reference Data From Materials Project: {formula:PaCl4,spaceGroup:I4_1/amd,id:mp-27291} |
| RD_609678131143_000 | computation | Reference Data From Materials Project: {formula:Hg(ClO3)2,spaceGroup:P2_1,id:mp-761037} |
| RD_610309506099_000 | computation | Reference Data From Materials Project: {formula:Cs3Mg2Cl7,spaceGroup:I4/mmm,id:mp-568137} |
| RD_610969117908_000 | computation | Reference Data From Materials Project: {formula:Ca3Al4Si8(ClO12)2,spaceGroup:P1,id:mp-677067} |
| RD_611122977075_000 | computation | Reference Data From Materials Project: {formula:TiCl3,spaceGroup:P312,id:mp-568230} |
| RD_611471530739_000 | computation | Reference Data From Materials Project: {formula:NaClO2,spaceGroup:C2/c,id:mp-30965} |
| RD_611521183396_000 | computation | Reference Data From Materials Project: {formula:As3H9RhC3(ClO)3,spaceGroup:P2_1/c,id:mp-573080} |
| RD_612396628149_000 | computation | Reference Data From Materials Project: {formula:Sb2ClO2F11,spaceGroup:P2_1/c,id:mp-558692} |
| RD_612470341804_000 | computation | Reference Data From Materials Project: {formula:LiAlCl4,spaceGroup:P2_1/c,id:mp-22983} |
| RD_613083406130_000 | computation | Reference Data From Materials Project: {formula:K2OsNCl5,spaceGroup:Pcmn,id:mp-640057} |
| RD_613268400377_000 | computation | Reference Data From Materials Project: {formula:LiAl2H6ClO6,spaceGroup:P6_3/mcm,id:mp-643655} |
| RD_613443049876_000 | computation | Reference Data From Materials Project: {formula:NaErCl4,spaceGroup:P2/c,id:mp-29083} |
| RD_613808513717_000 | computation | Reference Data From Materials Project: {formula:OsCl2O,spaceGroup:Immm,id:mp-29133} |
| RD_613913227406_000 | computation | Reference Data From Materials Project: {formula:Rb2ZnCl4,spaceGroup:P2_1cn,id:mp-568350} |
| RD_614158270701_000 | computation | Reference Data From Materials Project: {formula:SnCl2,spaceGroup:Pmnb,id:mp-569152} |
| RD_614270738680_000 | computation | Reference Data From Materials Project: {formula:Ir(Cl2F3)2,spaceGroup:P2_1/c,id:mp-29870} |
| RD_614303392022_000 | computation | Reference Data From Materials Project: {formula:InH9(NCl)3,spaceGroup:P-1,id:mp-849391} |
| RD_614510141572_000 | computation | Reference Data From Materials Project: {formula:Cs3LaCl6,spaceGroup:C2/c,id:mp-582080} |
| RD_614553475179_000 | computation | Reference Data From Materials Project: {formula:W2NCl8,spaceGroup:P-1,id:mp-570568} |
| RD_615027311764_000 | computation | Reference Data From Materials Project: {formula:Cs6Cl4O,spaceGroup:R-3c,id:mp-29983} |
| RD_615383978684_000 | computation | Reference Data From Materials Project: {formula:SnH3S4N4Cl5O,spaceGroup:P2_1/c,id:mp-722501} |
| RD_615460899201_000 | computation | Reference Data From Materials Project: {formula:Li6VCl8,spaceGroup:Fm-3m,id:mp-29250} |
| RD_615685369623_000 | computation | Reference Data From Materials Project: {formula:Re3Te8Cl3,spaceGroup:P2_122_1,id:mp-29499} |
| RD_616074152799_000 | computation | Reference Data From Materials Project: {formula:LuCl3,spaceGroup:P6_3/mmc,id:mp-865324} |
| RD_616419488776_000 | computation | Reference Data From Materials Project: {formula:FeH10N2Cl5O,spaceGroup:Pnma,id:mp-849987} |
| RD_616963347951_000 | computation | Reference Data From Materials Project: {formula:NdH2ClO2,spaceGroup:P2_1/m,id:mp-24124} |
| RD_617132533535_000 | computation | Reference Data From Materials Project: {formula:CsMgCl3,spaceGroup:P6_3/mmc,id:mp-23004} |
| RD_617228929540_000 | computation | Reference Data From Materials Project: {formula:KTlCl4,spaceGroup:I4_1/a,id:mp-27385} |
| RD_617321545553_000 | computation | Reference Data From Materials Project: {formula:Eu2SiCl2O3,spaceGroup:I4/m,id:mp-555322} |
| RD_617437593068_000 | computation | Reference Data From Materials Project: {formula:S5N5Cl,spaceGroup:C2/c,id:mp-28374} |
| RD_617733137410_000 | computation | Reference Data From Materials Project: {formula:UCl3,spaceGroup:P6_3/m,id:mp-23208} |
| RD_617862241717_000 | computation | Reference Data From Materials Project: {formula:Dy(ClO4)3,spaceGroup:P6_3/m,id:mp-768147} |
| RD_617871755788_000 | computation | Reference Data From Materials Project: {formula:BiTeCl,spaceGroup:P6_3mc,id:mp-28944} |
| RD_617988433292_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_618132151666_000 | computation | Reference Data From Materials Project: {formula:NaLuCl4,spaceGroup:Pcnb,id:mp-29001} |
| RD_618408883369_000 | computation | Reference Data From Materials Project: {formula:K6BiH3(Cl2F)4,spaceGroup:P6_3mc,id:mp-696998} |
| RD_618539748812_000 | computation | Reference Data From Materials Project: {formula:ZrNCl,spaceGroup:P-3m1,id:mp-632657} |
| RD_618694677476_000 | computation | Reference Data From Materials Project: {formula:CoH20S2N6ClO4,spaceGroup:P2_1/c,id:mp-735513} |
| RD_618725466974_000 | computation | Reference Data From Materials Project: {formula:Eu5Si(Cl3O2)2,spaceGroup:C2/c,id:mp-669318} |
| RD_618980878689_000 | computation | Reference Data From Materials Project: {formula:PCl5,spaceGroup:P4/n,id:mp-23228} |
| RD_620386874895_000 | computation | Reference Data From Materials Project: {formula:Hg3(TeCl)2,spaceGroup:I2_13,id:mp-27852} |
| RD_620417083588_000 | computation | Reference Data From Materials Project: {formula:Mn7FeCl3O10,spaceGroup:Fm-3m,id:mp-653429} |
| RD_620579635854_000 | computation | ClCs in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_621294065782_000 | computation | Reference Data From Materials Project: {formula:RbCl,spaceGroup:Pm-3m,id:mp-23299} |
| RD_621331840335_000 | computation | Reference Data From Materials Project: {formula:La4S3NCl3,spaceGroup:P6_3mc,id:mp-559256} |
| RD_621586048155_000 | computation | Reference Data From Materials Project: {formula:BeCl2,spaceGroup:I-43m,id:mp-570227} |
| RD_621606877888_000 | computation | Reference Data From Materials Project: {formula:Mg2BN2Cl,spaceGroup:Pbca,id:mp-581639} |
| RD_622078342366_000 | computation | Reference Data From Materials Project: {formula:Tb5Se2Cl3O10,spaceGroup:C2/m,id:mp-555909} |
| RD_622307714233_000 | computation | Reference Data From Materials Project: {formula:GdWClO4,spaceGroup:C2/m,id:mp-568740} |
| RD_622533889555_000 | computation | Reference Data From Materials Project: {formula:Ba3LaCl9,spaceGroup:Pc,id:mp-771948} |
| RD_622554925160_000 | computation | Reference Data From Materials Project: {formula:BiBCl,spaceGroup:F-43m,id:mp-631539} |
| RD_622802901031_000 | computation | Reference Data From Materials Project: {formula:SnSb2H24C8(SCl)2,spaceGroup:P2_1/c,id:mp-773893} |
| RD_623357367881_000 | computation | Reference Data From Materials Project: {formula:Ca4Si6Pb6Cl2O21,spaceGroup:P6_3/m,id:mp-558268} |
| RD_623823172566_000 | computation | Reference Data From Materials Project: {formula:CsHgCl3,spaceGroup:Pm-3m,id:mp-570591} |
| RD_624249049134_000 | computation | Reference Data From Materials Project: {formula:PtCl2,spaceGroup:Pmnn,id:mp-567484} |
| RD_624690415579_000 | computation | Reference Data From Materials Project: {formula:Ba9Cu7Cl2O15,spaceGroup:P6/mmm,id:mp-559813} |
| RD_625848234604_000 | computation | Reference Data From Materials Project: {formula:Gd2Cl3,spaceGroup:Cm,id:mp-656152} |
| RD_625938761706_000 | computation | Reference Data From Materials Project: {formula:BaVClO3,spaceGroup:Pmcn,id:mp-566321} |
| RD_626355400410_000 | computation | Reference Data From Materials Project: {formula:Be2ReCl,spaceGroup:F-43m,id:mp-631496} |
| RD_626389183976_000 | computation | Reference Data From Materials Project: {formula:Ga3Bi5Cl12,spaceGroup:R-3c,id:mp-29075} |
| RD_627389824498_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_627455740780_000 | computation | Reference Data From Materials Project: {formula:SICl7,spaceGroup:P2_1/c,id:mp-29264} |
| RD_627587117339_000 | computation | Reference Data From Materials Project: {formula:TaCl5,spaceGroup:C2/m,id:mp-29831} |
| RD_627670515764_000 | computation | Reference Data From Materials Project: {formula:Ba6Zn(InCl10)2,spaceGroup:P2_1/c,id:mp-569635} |
| RD_627672183967_000 | computation | Reference Data From Materials Project: {formula:PAuCl8,spaceGroup:Imma,id:mp-28387} |
| RD_627723668172_000 | computation | Reference Data From Materials Project: {formula:ClO3,spaceGroup:Cc,id:mp-22869} |
| RD_629030136253_000 | computation | Reference Data From Materials Project: {formula:K2CuCl3,spaceGroup:Pmnb,id:mp-569952} |
| RD_629112283306_000 | computation | Reference Data From Materials Project: {formula:Cs4TlSbCl12,spaceGroup:I4_1/amd,id:mp-650007} |
| RD_629181184429_000 | computation | Reference Data From Materials Project: {formula:HgS4(NCl)3,spaceGroup:P2_1/c,id:mp-669471} |
| RD_629342565947_000 | computation | Reference Data From Materials Project: {formula:SbH3CSCl6O,spaceGroup:P2_1/c,id:mp-561214} |
| RD_630273547294_000 | computation | Reference Data From Materials Project: {formula:H9C3SeSN2Cl,spaceGroup:P-1,id:mp-558541} |
| RD_630533681433_000 | computation | Reference Data From Materials Project: {formula:Se2S(NCl)2,spaceGroup:Pcab,id:mp-559231} |
| RD_630536634950_000 | computation | Reference Data From Materials Project: {formula:Hf(Te4Cl3)2,spaceGroup:P-1,id:mp-29708} |
| RD_630719353266_000 | computation | Reference Data From Materials Project: {formula:Tl2TeCl6,spaceGroup:Fm-3m,id:mp-27833} |
| RD_630821294344_000 | computation | Reference Data From Materials Project: {formula:CsGaCl4,spaceGroup:Pmcn,id:mp-608516} |
| RD_630954384177_000 | computation | Reference Data From Materials Project: {formula:RbCrCl3,spaceGroup:C2,id:mp-568864} |
| RD_631161226332_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_631236040929_000 | computation | Reference Data From Materials Project: {formula:RbCl,spaceGroup:Fm-3m,id:mp-23295} |
| RD_631646115312_000 | computation | Reference Data From Materials Project: {formula:CeH14Cl3O7,spaceGroup:P-1,id:mp-505786} |
| RD_631742923461_000 | computation | Reference Data From Materials Project: {formula:CrCl3,spaceGroup:P3_212,id:mp-569890} |
| RD_631873243196_000 | computation | Reference Data From Materials Project: {formula:GaHg2SbCl4,spaceGroup:Pc2_1n,id:mp-568031} |
| RD_632033709980_000 | computation | Reference Data From Materials Project: {formula:Al2RhC4Cl7O4,spaceGroup:P-1,id:mp-680477} |
| RD_632357755746_000 | computation | Reference Data From Materials Project: {formula:KH18OsN6(ClO2)4,spaceGroup:P1,id:mp-695694} |
| RD_632821661855_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Cl10,spaceGroup:Cm,id:mp-531376} |
| RD_633018422393_000 | computation | Reference Data From Materials Project: {formula:Rb2WCl6,spaceGroup:Fm-3m,id:mp-30227} |
| RD_633110132856_000 | computation | Reference Data From Materials Project: {formula:TbCl3,spaceGroup:P4_2/mnm,id:mp-570232} |
| RD_633545666011_000 | computation | Reference Data From Materials Project: {formula:CuClF10,spaceGroup:P2_1/c,id:mp-557055} |
| RD_633631785750_000 | computation | Reference Data From Materials Project: {formula:K6LiFe24S26Cl,spaceGroup:Pm-3m,id:mp-532767} |
| RD_633768468245_000 | computation | Reference Data From Materials Project: {formula:H3ClO5,spaceGroup:Pnma,id:mp-706642} |
| RD_634310109456_000 | computation | Reference Data From Materials Project: {formula:TlCoCl3,spaceGroup:P6_3/mmc,id:mp-569753} |
| RD_634495083461_000 | computation | Reference Data From Materials Project: {formula:Cs2PdCl4,spaceGroup:Cmcm,id:mp-30314} |
| RD_634519120010_000 | computation | Reference Data From Materials Project: {formula:Sc4BCl6,spaceGroup:Pmcb,id:mp-29452} |
| RD_635935453495_000 | computation | Reference Data From Materials Project: {formula:BP2N2Cl7,spaceGroup:P2_1/c,id:mp-569608} |
| RD_636653372516_000 | computation | Reference Data From Materials Project: {formula:BaY2Cl8,spaceGroup:C2/c,id:mp-769044} |
| RD_636749497196_000 | computation | Reference Data From Materials Project: {formula:CsTa6PbCl18,spaceGroup:P-31c,id:mp-680159} |
| RD_636884895085_000 | computation | Reference Data From Materials Project: {formula:SbPC3S3N3Cl3O,spaceGroup:I-43m,id:mp-572601} |
| RD_636896461564_000 | computation | Reference Data From Materials Project: {formula:AlAs3S5Cl4,spaceGroup:P2_1/m,id:mp-558360} |
| RD_636944864979_000 | computation | Reference Data From Materials Project: {formula:AcClO,spaceGroup:P4/nmm,id:mp-30273} |
| RD_637031000432_000 | computation | Reference Data From Materials Project: {formula:AgClO2,spaceGroup:P1,id:mp-675942} |
| RD_637199501393_000 | computation | Reference Data From Materials Project: {formula:SmSeClO3,spaceGroup:Pmnb,id:mp-554063} |
| RD_637252460048_000 | computation | Reference Data From Materials Project: {formula:MgP4(Cl5O3)2,spaceGroup:P-1,id:mp-554819} |
| RD_637337903395_000 | computation | Reference Data From Materials Project: {formula:Pr16Si16N27Cl3O14,spaceGroup:P1,id:mp-686466} |
| RD_638478366670_000 | computation | Reference Data From Materials Project: {formula:MoS3(NCl4)2,spaceGroup:P2_1/c,id:mp-559303} |
| RD_638581654619_000 | computation | Reference Data From Materials Project: {formula:CuH12N2(Cl2O)2,spaceGroup:P1,id:mp-677406} |
| RD_638995265965_000 | computation | Reference Data From Materials Project: {formula:In7Cl9,spaceGroup:Pa3,id:mp-28730} |
| RD_639161201771_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_639298372808_000 | computation | Reference Data From Materials Project: {formula:CrH14N4Cl3O,spaceGroup:Pnma,id:mp-743528} |
| RD_640052314122_000 | computation | Reference Data From Materials Project: {formula:MgH12(ClO3)2,spaceGroup:C2/m,id:mp-696845} |
| RD_640462631438_000 | computation | Reference Data From Materials Project: {formula:Ba2Cu4Te4Cl4O11,spaceGroup:P-1,id:mp-561174} |
| RD_641326310111_000 | computation | Reference Data From Materials Project: {formula:MnBiS2Cl,spaceGroup:Pmnb,id:mp-558130} |
| RD_641595182631_000 | computation | Reference Data From Materials Project: {formula:Ce3Si2S8Cl,spaceGroup:C2/c,id:mp-542133} |
| RD_641753761750_000 | computation | Reference Data From Materials Project: {formula:Rb3B12H12Cl,spaceGroup:R-3m,id:mp-24798} |
| RD_642341605480_000 | computation | Reference Data From Materials Project: {formula:La3TiCl5O4,spaceGroup:Pmcn,id:mp-556659} |
| RD_642385001924_000 | computation | Reference Data From Materials Project: {formula:RbClO2,spaceGroup:Ccmm,id:mp-549590} |
| RD_642599387593_000 | computation | Reference Data From Materials Project: {formula:LaPb6ClO7,spaceGroup:C2/m,id:mp-556523} |
| RD_642955700390_000 | computation | Reference Data From Materials Project: {formula:Sr2LaCl7,spaceGroup:P2_1,id:mp-771879} |
| RD_643106450479_000 | computation | Reference Data From Materials Project: {formula:BaH2Cl2O,spaceGroup:Pnma,id:mp-642661} |
| RD_643603831461_000 | computation | Reference Data From Materials Project: {formula:Co3C10ClO9,spaceGroup:P-1,id:mp-623047} |
| RD_644107988941_000 | computation | Reference Data From Materials Project: {formula:Rb2UCl5,spaceGroup:Pcmn,id:mp-28881} |
| RD_644221586212_000 | computation | Reference Data From Materials Project: {formula:UCl6,spaceGroup:P-3m1,id:mp-23250} |
| RD_644509397572_000 | computation | Reference Data From Materials Project: {formula:FeCoH18(NCl)6,spaceGroup:Pa3,id:mp-24447} |
| RD_644699148752_000 | computation | Reference Data From Materials Project: {formula:LiW6CCl18,spaceGroup:P6_3/m,id:mp-571612} |
| RD_644799053735_000 | computation | Reference Data From Materials Project: {formula:La3Si2Cl3O7,spaceGroup:P2_1,id:mp-555191} |
| RD_644917011238_000 | computation | Reference Data From Materials Project: {formula:DyMoClO4,spaceGroup:C2/m,id:mp-565666} |
| RD_645176923567_000 | computation | Reference Data From Materials Project: {formula:Dy(AlCl4)3,spaceGroup:P3_112,id:mp-28714} |
| RD_645265158017_000 | computation | Reference Data From Materials Project: {formula:ReH12C2S2N4Cl5O3,spaceGroup:P2_1/c,id:mp-720928} |
| RD_645712025186_000 | computation | Reference Data From Materials Project: {formula:Be2ReCl,spaceGroup:F-43m,id:mp-631496} |
| RD_645758634506_000 | computation | Reference Data From Materials Project: {formula:CsICl2,spaceGroup:R-3m,id:mp-22990} |
| RD_646317788560_000 | computation | Reference Data From Materials Project: {formula:C2S7Cl6,spaceGroup:P-1,id:mp-29477} |
| RD_646460389809_000 | computation | Reference Data From Materials Project: {formula:Na3YCl6,spaceGroup:R-3,id:mp-675104} |
| RD_646477637593_000 | computation | Reference Data From Materials Project: {formula:ZnCoH18N6Cl5,spaceGroup:Pnma,id:mp-706995} |
| RD_646861742019_000 | computation | Reference Data From Materials Project: {formula:CaMg2H24(ClO2)6,spaceGroup:R-3,id:mp-696387} |
| RD_647295589998_000 | computation | Reference Data From Materials Project: {formula:K2RuNCl5O,spaceGroup:P2_12_12_1,id:mp-560966} |
| RD_647788447515_000 | computation | Reference Data From Materials Project: {formula:SbS2NCl8,spaceGroup:P2_1/c,id:mp-554625} |
| RD_647839821006_000 | computation | Reference Data From Materials Project: {formula:BaH2CSNClO,spaceGroup:Pnma,id:mp-643643} |
| RD_648067371613_000 | computation | Reference Data From Materials Project: {formula:Ca19Si6S6(ClO24)2,spaceGroup:Pm,id:mp-695095} |
| RD_648390544693_000 | computation | Reference Data From Materials Project: {formula:K3Hg3S2Cl5O6,spaceGroup:Pmcn,id:mp-560777} |
| RD_649051389053_000 | computation | Reference Data From Materials Project: {formula:K2H2OsCCl5O2,spaceGroup:P2_1/c,id:mp-774223} |
| RD_649860283773_000 | computation | Reference Data From Materials Project: {formula:KClO3,spaceGroup:R3m,id:mp-550506} |
| RD_650347156599_000 | computation | ClF in AFLOW crystal prototype AB_mP8_14_e_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_650389564685_000 | computation | Reference Data From Materials Project: {formula:Ba5Cu4ClF17,spaceGroup:P-62m,id:mp-559141} |
| RD_650530394447_000 | computation | Reference Data From Materials Project: {formula:B2H10C2NClO3,spaceGroup:P-1,id:mp-554977} |
| RD_650709433724_000 | computation | Reference Data From Materials Project: {formula:RbCl,spaceGroup:Fm-3m,id:mp-23295} |
| RD_651389440092_000 | computation | Reference Data From Materials Project: {formula:BiBCl,spaceGroup:F-43m,id:mp-631539} |
| RD_651523957180_000 | computation | Reference Data From Materials Project: {formula:NaClO3,spaceGroup:P2_13,id:mp-608156} |
| RD_651589029498_000 | computation | Reference Data From Materials Project: {formula:K6InTe4Cl,spaceGroup:P6_3mc,id:mp-568916} |
| RD_652025764107_000 | computation | Reference Data From Materials Project: {formula:Cs2NaSmCl6,spaceGroup:Fm-3m,id:mp-580541} |
| RD_652050241207_000 | computation | Reference Data From Materials Project: {formula:Rb5Te3H4NCl18,spaceGroup:P3m1,id:mp-677467} |
| RD_652384704887_000 | computation | Reference Data From Materials Project: {formula:Na3MgC2ClO6,spaceGroup:Fd-3m,id:mp-566231} |
| RD_652435232911_000 | computation | Reference Data From Materials Project: {formula:Sr(AlCl4)2,spaceGroup:P2/c,id:mp-628726} |
| RD_652811731790_000 | computation | Reference Data From Materials Project: {formula:EuCs2KCl6,spaceGroup:Fm-3m,id:mp-579605} |
| RD_653090667809_000 | computation | Reference Data From Materials Project: {formula:Ba5Al2In2IrClO13,spaceGroup:P6_3/mmc,id:mp-559534} |
| RD_653315086740_000 | computation | Reference Data From Materials Project: {formula:Cs3LiCl4,spaceGroup:Cm2m,id:mp-606711} |
| RD_653690473065_000 | computation | Reference Data From Materials Project: {formula:Li4V5CuClO15,spaceGroup:P4,id:mp-769746} |
| RD_653917641798_000 | computation | Reference Data From Materials Project: {formula:H4NCl,spaceGroup:P-43m,id:mp-34337} |
| RD_654172004642_000 | computation | Reference Data From Materials Project: {formula:Mo6PbCl14,spaceGroup:Pn3,id:mp-583553} |
| RD_654202398039_000 | computation | Reference Data From Materials Project: {formula:CrHgH18N6Cl5,spaceGroup:Fd-3c,id:mp-24198} |
| RD_654575856373_000 | computation | Reference Data From Materials Project: {formula:Na2Ti3Cl8,spaceGroup:R3m,id:mp-569978} |
| RD_655160947631_000 | computation | Reference Data From Materials Project: {formula:La(ClO4)3,spaceGroup:P6_3/m,id:mp-768419} |
| RD_655200349916_000 | computation | Reference Data From Materials Project: {formula:FeH8(ClO2)2,spaceGroup:P2_1/c,id:mp-743178} |
| RD_656073970900_000 | computation | Reference Data From Materials Project: {formula:SrHg2(ClO)2,spaceGroup:P2_1/c,id:mp-554351} |
| RD_656638117051_000 | computation | Reference Data From Materials Project: {formula:FeTeS2N2Cl5,spaceGroup:P2_1/c,id:mp-638705} |
| RD_656754927131_000 | computation | Reference Data From Materials Project: {formula:MnP2H36C12N6(ClO)2,spaceGroup:C2/c,id:mp-743961} |
| RD_657102428151_000 | computation | Reference Data From Materials Project: {formula:Sr3Al2Cl2O5,spaceGroup:P2_12_12_1,id:mp-559224} |
| RD_657312615379_000 | computation | Reference Data From Materials Project: {formula:UHg3(TeCl3)2,spaceGroup:P2_1/c,id:mp-567543} |
| RD_657352273419_000 | computation | Reference Data From Materials Project: {formula:RbRuH18N6(ClO2)4,spaceGroup:R-3,id:mp-24680} |
| RD_657485288204_000 | computation | Reference Data From Materials Project: {formula:Cd7(P2Cl3)2,spaceGroup:Pa3,id:mp-23476} |
| RD_659088096638_000 | computation | Reference Data From Materials Project: {formula:SbCl3F2,spaceGroup:I-4,id:mp-29391} |
| RD_659153142661_000 | computation | Reference Data From Materials Project: {formula:BeCl2,spaceGroup:I4_1/acd,id:mp-570974} |
| RD_659168089550_000 | computation | Reference Data From Materials Project: {formula:Cs2UCl6,spaceGroup:P-3m1,id:mp-23077} |
| RD_659432244105_000 | computation | Reference Data From Materials Project: {formula:Rb2SnCl6,spaceGroup:Fm-3m,id:mp-23059} |
| RD_659619630985_000 | computation | Reference Data From Materials Project: {formula:Ag2H12C6N3Cl,spaceGroup:Pna2_1,id:mp-567645} |
| RD_659796704424_000 | computation | Reference Data From Materials Project: {formula:H24PdC8(NCl2)2,spaceGroup:P4_2/mnm,id:mp-707284} |
| RD_659863867269_000 | computation | Reference Data From Materials Project: {formula:NbCl5,spaceGroup:P2_1/c,id:mp-568483} |
| RD_659917589528_000 | computation | Reference Data From Materials Project: {formula:Nb2Se17Cl12,spaceGroup:P-1,id:mp-573340} |
| RD_660320113123_000 | computation | Reference Data From Materials Project: {formula:TiS4(NCl)4,spaceGroup:P2_1/c,id:mp-560840} |
| RD_660333702761_000 | computation | Reference Data From Materials Project: {formula:Ba2Zn2ClF7,spaceGroup:P2_1/m,id:mp-555271} |
| RD_660383639313_000 | computation | Reference Data From Materials Project: {formula:CrCl3,spaceGroup:P3_212,id:mp-569890} |
| RD_660427364000_000 | computation | Reference Data From Materials Project: {formula:ZrFeCl6,spaceGroup:P-31c,id:mp-28208} |
| RD_660611976797_000 | computation | Reference Data From Materials Project: {formula:NClO3,spaceGroup:P2_12_12_1,id:mp-754712} |
| RD_660753342154_000 | computation | Reference Data From Materials Project: {formula:ClOF3,spaceGroup:P-1,id:mp-753945} |
| RD_661078231343_000 | computation | ClRb in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_661544726079_000 | computation | Reference Data From Materials Project: {formula:Se2NCl3,spaceGroup:Pcab,id:mp-28791} |
| RD_661670822787_000 | computation | Reference Data From Materials Project: {formula:CsClO4,spaceGroup:F-43m,id:mp-546711} |
| RD_661712037123_000 | computation | Reference Data From Materials Project: {formula:RePCl9,spaceGroup:P-1,id:mp-29592} |
| RD_662046450598_000 | computation | Reference Data From Materials Project: {formula:La3As2ClO7,spaceGroup:P4_2/mnm,id:mp-555073} |
| RD_662733358079_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_662806648893_000 | computation | Reference Data From Materials Project: {formula:LuMoClO4,spaceGroup:P-1,id:mp-567057} |
| RD_663154087809_000 | computation | Reference Data From Materials Project: {formula:K2NClO3,spaceGroup:Pmnb,id:mp-559513} |
| RD_663320952821_000 | computation | Reference Data From Materials Project: {formula:LaP5Cl18O17,spaceGroup:P2_1,id:mp-565354} |
| RD_663980893481_000 | computation | Reference Data From Materials Project: {formula:NaSm2Cl6,spaceGroup:P3,id:mp-676129} |
| RD_664796357591_000 | computation | Reference Data From Materials Project: {formula:AlH36C12S6(ClO2)3,spaceGroup:R-3,id:mp-24764} |
| RD_664846159398_000 | computation | Reference Data From Materials Project: {formula:IClO,spaceGroup:R-3,id:mp-752422} |
| RD_665068250119_000 | computation | Reference Data From Materials Project: {formula:Re3(SeCl)7,spaceGroup:Pmca,id:mp-679999} |
| RD_665746362353_000 | computation | Reference Data From Materials Project: {formula:RbMgCl3,spaceGroup:P6_3/mmc,id:mp-662499} |
| RD_666220469124_000 | computation | Reference Data From Materials Project: {formula:Sr2BN2Cl,spaceGroup:Pmcn,id:mp-23131} |
| RD_666272179151_000 | computation | Reference Data From Materials Project: {formula:H7ClO7,spaceGroup:Pcab,id:mp-558867} |
| RD_666411647279_000 | computation | Reference Data From Materials Project: {formula:WSCl4,spaceGroup:P-1,id:mp-756473} |
| RD_666509281967_000 | computation | Reference Data From Materials Project: {formula:Gd2CCl2,spaceGroup:P-3m1,id:mp-29394} |
| RD_666637271666_000 | computation | Reference Data From Materials Project: {formula:Te3W2Se4(Cl4O)2,spaceGroup:Cc,id:mp-566902} |
| RD_666747431447_000 | computation | Reference Data From Materials Project: {formula:La4S3NCl3,spaceGroup:P6_3mc,id:mp-559256} |
| RD_667261632119_000 | computation | Reference Data From Materials Project: {formula:CsAlCl4,spaceGroup:Pmcn,id:mp-27260} |
| RD_667342971170_000 | computation | Reference Data From Materials Project: {formula:AgPb4ClO4,spaceGroup:P4/n,id:mp-560923} |
| RD_667393618670_000 | computation | Reference Data From Materials Project: {formula:SnHg6(P2Cl3)2,spaceGroup:P2_13,id:mp-568612} |
| RD_667398397721_000 | computation | Reference Data From Materials Project: {formula:WCl6,spaceGroup:P-3m1,id:mp-23178} |
| RD_667595587848_000 | computation | Reference Data From Materials Project: {formula:YbLi3Cl6,spaceGroup:Pc2_1n,id:mp-673763} |
| RD_667863717011_000 | computation | Reference Data From Materials Project: {formula:RuCl3,spaceGroup:P6_3/mcm,id:mp-22850} |
| RD_668001725011_000 | computation | Reference Data From Materials Project: {formula:Cs2WCl6,spaceGroup:Fm-3m,id:mp-30234} |
| RD_668119489904_000 | computation | Reference Data From Materials Project: {formula:Pd(PbCl3)2,spaceGroup:P2_1/c,id:mp-28982} |
| RD_668245208251_000 | computation | Reference Data From Materials Project: {formula:Cs2NaHoCl6,spaceGroup:Fm-3m,id:mp-542951} |
| RD_668520210822_000 | computation | Reference Data From Materials Project: {formula:KNbCl6,spaceGroup:P2_1/c,id:mp-671855} |
| RD_668711157743_000 | computation | Reference Data From Materials Project: {formula:Cs3Sb2Cl9,spaceGroup:Pmcn,id:mp-669473} |
| RD_668761274070_000 | computation | Reference Data From Materials Project: {formula:NCl3,spaceGroup:Pnma,id:mp-540572} |
| RD_669683686491_000 | computation | Reference Data From Materials Project: {formula:ZrSCl6O,spaceGroup:P2_1/c,id:mp-554265} |
| RD_669841622195_000 | computation | Reference Data From Materials Project: {formula:Cl2O7,spaceGroup:C2/c,id:mp-31050} |
| RD_669906978874_000 | computation | Reference Data From Materials Project: {formula:HoClO,spaceGroup:P4/nmm,id:mp-29731} |
| RD_670508103709_000 | computation | ClNa in AFLOW crystal prototype AB_cF8_225_a_b (Rock Salt). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_670898007382_000 | computation | Reference Data From Materials Project: {formula:Sr5Re3ClO15,spaceGroup:Pnam,id:mp-667283} |
| RD_670912164086_000 | computation | Reference Data From Materials Project: {formula:TlCoCl3,spaceGroup:P6_3cm,id:mp-567430} |
| RD_671177227005_000 | computation | Reference Data From Materials Project: {formula:Rb2CuCl4,spaceGroup:Ccme,id:mp-23508} |
| RD_671398376018_000 | computation | Reference Data From Materials Project: {formula:AlH20Ru(Cl3O5)2,spaceGroup:P2_1/c,id:mp-603609} |
| RD_671713925339_000 | computation | Reference Data From Materials Project: {formula:NbCl4,spaceGroup:C2/m,id:mp-31040} |
| RD_671723344308_000 | computation | Reference Data From Materials Project: {formula:CsSmCl3,spaceGroup:Pm-3m,id:mp-567939} |
| RD_672484559005_000 | computation | Reference Data From Materials Project: {formula:Ca8MgSi4(ClO8)2,spaceGroup:P1,id:mp-686598} |
| RD_672734652590_000 | computation | Reference Data From Materials Project: {formula:AlS5N5Cl4,spaceGroup:Pnma,id:mp-558270} |
| RD_672831874349_000 | computation | Reference Data From Materials Project: {formula:K5NaS4(ClO6)2,spaceGroup:P4/mnc,id:mp-557645} |
| RD_672935170282_000 | computation | Reference Data From Materials Project: {formula:BiTeCl,spaceGroup:P6_3mc,id:mp-28944} |
| RD_673116199479_000 | computation | Reference Data From Materials Project: {formula:RbCuCl3,spaceGroup:Pnca,id:mp-23055} |
| RD_673410458282_000 | computation | Reference Data From Materials Project: {formula:GaH12C4NCl3,spaceGroup:Pa3,id:mp-600257} |
| RD_673848676973_000 | computation | Reference Data From Materials Project: {formula:Al2AgCl5O,spaceGroup:Pbca,id:mp-572634} |
| RD_674162753083_000 | computation | Reference Data From Materials Project: {formula:PNCl2,spaceGroup:P4_2/n,id:mp-672260} |
| RD_674569502901_000 | computation | Reference Data From Materials Project: {formula:EuBi2ClO4,spaceGroup:P4/mmm,id:mp-550566} |
| RD_674744821007_000 | computation | Reference Data From Materials Project: {formula:Ba2LaCl7,spaceGroup:C2/c,id:mp-756251} |
| RD_675374938946_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_675669411230_000 | computation | Reference Data From Materials Project: {formula:CoCuH18N6Cl5,spaceGroup:Fd-3c,id:mp-23857} |
| RD_675922702122_000 | computation | Reference Data From Materials Project: {formula:LiBi3(ClO2)2,spaceGroup:Cmcm,id:mp-754206} |
| RD_676866168496_000 | computation | Reference Data From Materials Project: {formula:Li4Al3Si3ClO12,spaceGroup:P-43n,id:mp-23648} |
| RD_677230377186_000 | computation | Reference Data From Materials Project: {formula:Y(AlCl4)3,spaceGroup:P3_112,id:mp-570857} |
| RD_677281348122_000 | computation | Reference Data From Materials Project: {formula:Sr10Al2ClF25,spaceGroup:Fd-3m,id:mp-555507} |
| RD_677361501474_000 | computation | Reference Data From Materials Project: {formula:Nb3Cl8,spaceGroup:P-3m1,id:mp-29950} |
| RD_677389331605_000 | computation | Reference Data From Materials Project: {formula:PH9C3S2NClO4,spaceGroup:P2_1/c,id:mp-559704} |
| RD_677585678265_000 | computation | Reference Data From Materials Project: {formula:Te2PdCl10,spaceGroup:P2_1/c,id:mp-28176} |
| RD_677783244169_000 | computation | Reference Data From Materials Project: {formula:Bi(W2Cl5)3,spaceGroup:C2/c,id:mp-569822} |
| RD_677801552628_000 | computation | Reference Data From Materials Project: {formula:IrCl3,spaceGroup:C2/m,id:mp-27666} |
| RD_678259417594_000 | computation | Reference Data From Materials Project: {formula:Sr2NCl,spaceGroup:R-3m,id:mp-23033} |
| RD_678742509068_000 | computation | Reference Data From Materials Project: {formula:NbP4(S2Cl)5,spaceGroup:P-1,id:mp-561160} |
| RD_678853696540_000 | computation | Reference Data From Materials Project: {formula:Na4Al3Ge3ClO12,spaceGroup:P-43n,id:mp-559286} |
| RD_679294152044_000 | computation | Reference Data From Materials Project: {formula:Rb2CuH4(Cl2O)2,spaceGroup:P4_2/mnm,id:mp-24559} |
| RD_679873465547_000 | computation | Reference Data From Materials Project: {formula:K3IrCl6,spaceGroup:P2_1/c,id:mp-541141} |
| RD_680038449065_000 | computation | Reference Data From Materials Project: {formula:MoCl3O,spaceGroup:P2_1/c,id:mp-25062} |
| RD_680313846200_000 | computation | Reference Data From Materials Project: {formula:Rb2NbCl6,spaceGroup:I4/mmm,id:mp-570558} |
| RD_680463302303_000 | computation | Reference Data From Materials Project: {formula:SbCl(OF3)2,spaceGroup:Pnmm,id:mp-560354} |
| RD_680472568089_000 | computation | Reference Data From Materials Project: {formula:Hg2P3Cl,spaceGroup:C2/c,id:mp-28875} |
| RD_680484876458_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_680639473530_000 | computation | Reference Data From Materials Project: {formula:CuH4C2NCl3O,spaceGroup:P-1,id:mp-698396} |
| RD_680753089803_000 | computation | Reference Data From Materials Project: {formula:Eu(AlCl4)2,spaceGroup:P2/c,id:mp-30022} |
| RD_680864012550_000 | computation | Reference Data From Materials Project: {formula:SeCl,spaceGroup:P2_1/c,id:mp-504825} |
| RD_680903545206_000 | computation | Reference Data From Materials Project: {formula:VPCl9,spaceGroup:Cmme,id:mp-27523} |
| RD_681933996839_000 | computation | Reference Data From Materials Project: {formula:CrHgH18N6Cl5,spaceGroup:Fd-3c,id:mp-24198} |
| RD_681970373330_000 | computation | Reference Data From Materials Project: {formula:Se2NCl3,spaceGroup:P2_1/c,id:mp-571134} |
| RD_682147954066_000 | computation | Reference Data From Materials Project: {formula:CsAuCl3,spaceGroup:I4/mmm,id:mp-23484} |
| RD_682697376376_000 | computation | Reference Data From Materials Project: {formula:Re3(SCl)7,spaceGroup:P31c,id:mp-680059} |
| RD_683361902319_000 | computation | Reference Data From Materials Project: {formula:FeTc2Cl,spaceGroup:Fm-3m,id:mp-631425} |
| RD_683383888352_000 | computation | Reference Data From Materials Project: {formula:Bi6PtCl10,spaceGroup:Pbnm,id:mp-570417} |
| RD_684286381730_000 | computation | Reference Data From Materials Project: {formula:Ca4Cl6O,spaceGroup:P6_3mc,id:mp-23326} |
| RD_684465583913_000 | computation | Reference Data From Materials Project: {formula:Pr3U(ClO2)3,spaceGroup:P6_3/m,id:mp-556183} |
| RD_684791695842_000 | computation | Reference Data From Materials Project: {formula:KGaCoC4Cl3O4,spaceGroup:P2_1/c,id:mp-627383} |
| RD_684897986334_000 | computation | Reference Data From Materials Project: {formula:H8C2SeS2(N2Cl)2,spaceGroup:P2_1/c,id:mp-707208} |
| RD_684943600204_000 | computation | Reference Data From Materials Project: {formula:TbCs2KCl6,spaceGroup:Fm-3m,id:mp-580631} |
| RD_685654958784_000 | computation | Reference Data From Materials Project: {formula:CoH12(ClO3)2,spaceGroup:C2/m,id:mp-743756} |
| RD_686017825960_000 | computation | Reference Data From Materials Project: {formula:TlW2(Cl3O)2,spaceGroup:C2/m,id:mp-866385} |
| RD_686352341283_000 | computation | Reference Data From Materials Project: {formula:Hg2ClO,spaceGroup:C2/c,id:mp-23395} |
| RD_686462933393_000 | computation | Reference Data From Materials Project: {formula:NdCl3,spaceGroup:P6_3/m,id:mp-23183} |
| RD_686682807543_000 | computation | Reference Data From Materials Project: {formula:TeWNCl4F5,spaceGroup:P-1,id:mp-565402} |
| RD_687070071301_000 | computation | Reference Data From Materials Project: {formula:LuSeClO3,spaceGroup:Pmnb,id:mp-23096} |
| RD_687093268827_000 | computation | Reference Data From Materials Project: {formula:BaCl2,spaceGroup:Fm-3m,id:mp-568662} |
| RD_687327244502_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_687598369751_000 | computation | Reference Data From Materials Project: {formula:Ba5Os3ClO15,spaceGroup:P6_3cm,id:mp-554501} |
| RD_687649100521_000 | computation | ClK in AFLOW crystal prototype AB_cP2_221_a_b (CsCl). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_687786330505_000 | computation | Reference Data From Materials Project: {formula:ZrNCl,spaceGroup:R-3m,id:mp-542791} |
| RD_689092809894_000 | computation | Reference Data From Materials Project: {formula:Tb3Se2ClO8,spaceGroup:Pnam,id:mp-558490} |
| RD_689351406541_000 | computation | Reference Data From Materials Project: {formula:Hf(Te2Cl3)2,spaceGroup:P-1,id:mp-29419} |
| RD_690020788386_000 | computation | Reference Data From Materials Project: {formula:Cs2NaSmCl6,spaceGroup:Fm-3m,id:mp-580541} |
| RD_690031576675_000 | computation | Reference Data From Materials Project: {formula:ThCl4,spaceGroup:I4_1/amd,id:mp-23215} |
| RD_690205421317_000 | computation | Reference Data From Materials Project: {formula:Rb2TiCl6,spaceGroup:Fm-3m,id:mp-27827} |
| RD_691966718503_000 | computation | Reference Data From Materials Project: {formula:CsTi(NbCl3)6,spaceGroup:P-31c,id:mp-778180} |
| RD_692259011117_000 | computation | Reference Data From Materials Project: {formula:PrCl3,spaceGroup:P6_3/m,id:mp-23211} |
| RD_692703443725_000 | computation | Reference Data From Materials Project: {formula:Sb8Cl27F13,spaceGroup:P1,id:mp-675493} |
| RD_692761779133_000 | computation | Reference Data From Materials Project: {formula:H8Pd(NCl3)2,spaceGroup:Fm-3m,id:mp-643397} |
| RD_693478980445_000 | computation | Reference Data From Materials Project: {formula:NaSm2Cl6,spaceGroup:P3,id:mp-676129} |
| RD_693788875963_000 | computation | Reference Data From Materials Project: {formula:InCl3,spaceGroup:P6_3/mmc,id:mp-862983} |
| RD_693813921208_000 | computation | Reference Data From Materials Project: {formula:NaClO4,spaceGroup:Pmcn,id:mp-561368} |
| RD_693856028213_000 | computation | Reference Data From Materials Project: {formula:P3CN4Cl7,spaceGroup:P2_1/c,id:mp-638206} |
| RD_694029805233_000 | computation | Reference Data From Materials Project: {formula:Ba9Sm6Cl34,spaceGroup:I4/m,id:mp-567646} |
| RD_694059853354_000 | computation | Reference Data From Materials Project: {formula:NbPCl10,spaceGroup:P-1,id:mp-27787} |
| RD_694167209226_000 | computation | Reference Data From Materials Project: {formula:HoBi2ClO4,spaceGroup:P4/mmm,id:mp-549127} |
| RD_694346915932_000 | computation | Reference Data From Materials Project: {formula:BaClF,spaceGroup:P4/nmm,id:mp-23432} |
| RD_694419734146_000 | computation | Reference Data From Materials Project: {formula:Zn2TeCl2O3,spaceGroup:Pnaa,id:mp-557130} |
| RD_694722451210_000 | computation | Reference Data From Materials Project: {formula:Cs2ZrCl6,spaceGroup:Fm-3m,id:mp-638729} |
| RD_694956789605_000 | computation | Reference Data From Materials Project: {formula:FeSCl7,spaceGroup:P2_1/c,id:mp-649334} |
| RD_694977891071_000 | computation | Reference Data From Materials Project: {formula:Na4Al3Si3ClO16,spaceGroup:P2,id:mp-720111} |