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_879741148165_000 | computation | Reference Data From Materials Project: {formula:B5H6Br,spaceGroup:P2_1/c,id:mp-30977} |
| RD_879961072513_000 | computation | Reference Data From Materials Project: {formula:Mg2B2O5,spaceGroup:P-1,id:mp-5547} |
| RD_881516376986_000 | computation | Reference Data From Materials Project: {formula:Mg10B16Ir19,spaceGroup:I-43m,id:mp-568548} |
| RD_881903758356_000 | computation | Reference Data From Materials Project: {formula:Ba3Tm(BO3)3,spaceGroup:P6_3cm,id:mp-14385} |
| RD_881989334859_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764531} |
| RD_882689765600_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764618} |
| RD_882886896387_000 | computation | Reference Data From Materials Project: {formula:SrLi(BS2)3,spaceGroup:Cc,id:mp-558219} |
| RD_883376714980_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:Cm,id:mp-850436} |
| RD_883445767698_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764621} |
| RD_883613381115_000 | computation | BZr in AFLOW crystal prototype A12B_cF52_225_h_b (UB12). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_883898475325_000 | computation | Reference Data From Materials Project: {formula:YbBPd3,spaceGroup:Pm-3m,id:mp-10135} |
| RD_884179165817_000 | computation | Reference Data From Materials Project: {formula:Cs(BBr)6,spaceGroup:R-3,id:mp-569897} |
| RD_884500929297_000 | computation | Reference Data From Materials Project: {formula:YCrB4,spaceGroup:Pmcb,id:mp-20450} |
| RD_884508390606_000 | computation | Reference Data From Materials Project: {formula:LaBO3,spaceGroup:Pmnb,id:mp-8216} |
| RD_884518774546_000 | computation | Reference Data From Materials Project: {formula:Na2BSbSO7,spaceGroup:P2_1/m,id:mp-771026} |
| RD_885410695661_000 | computation | Reference Data From Materials Project: {formula:Ni3B7IO13,spaceGroup:F-43c,id:mp-540838} |
| RD_885633746380_000 | computation | Reference Data From Materials Project: {formula:Li5BO4,spaceGroup:Pmmn,id:mp-755346} |
| RD_887088516460_000 | computation | BHf in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_887100452117_000 | computation | Reference Data From Materials Project: {formula:CaMgB2O5,spaceGroup:P2_1/c,id:mp-6585} |
| RD_887156890026_000 | computation | Reference Data From Materials Project: {formula:Ba3Ho(BO3)3,spaceGroup:P6_3cm,id:mp-14384} |
| RD_887325516968_000 | computation | Reference Data From Materials Project: {formula:LiZnBO3,spaceGroup:P1,id:mp-758855} |
| RD_887339007663_000 | computation | Reference Data From Materials Project: {formula:Li3BH6,spaceGroup:P1,id:mp-655001} |
| RD_887555846727_000 | computation | Reference Data From Materials Project: {formula:B10H13CSN,spaceGroup:P2_1/c,id:mp-720401} |
| RD_887602081083_000 | computation | Reference Data From Materials Project: {formula:K2B2S7,spaceGroup:C2/c,id:mp-4351} |
| RD_887613063128_000 | computation | Reference Data From Materials Project: {formula:Li3Mn(BO3)2,spaceGroup:P-1,id:mp-770904} |
| RD_887779666152_000 | computation | Reference Data From Materials Project: {formula:SrLiBS3,spaceGroup:Pbnm,id:mp-557962} |
| RD_888252160315_000 | computation | Reference Data From Materials Project: {formula:SiB6,spaceGroup:Pm-3m,id:mp-7700} |
| RD_888277094971_000 | computation | Reference Data From Materials Project: {formula:Hg2BCl,spaceGroup:F-43m,id:mp-631530} |
| RD_888509484268_000 | computation | Reference Data From Materials Project: {formula:CeB2Ir3,spaceGroup:P6/mmm,id:mp-11593} |
| RD_888871010246_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_889076084298_000 | computation | Reference Data From Materials Project: {formula:LiBO2,spaceGroup:P2_1/c,id:mp-3635} |
| RD_889076812355_000 | computation | Reference Data From Materials Project: {formula:UReB3,spaceGroup:P6_3/mmc,id:mp-28607} |
| RD_889408529372_000 | computation | Reference Data From Materials Project: {formula:Na(BH)5,spaceGroup:P2_1/c,id:mp-776332} |
| RD_890320991062_000 | computation | Reference Data From Materials Project: {formula:NaCaB5(H5O7)2,spaceGroup:P2_1/c,id:mp-707788} |
| RD_890496278236_000 | computation | Reference Data From Materials Project: {formula:Li3SiBiBO7,spaceGroup:P2_1/m,id:mp-771028} |
| RD_890672580200_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:Pm,id:mp-779890} |
| RD_890960707319_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:Pm,id:mp-778550} |
| RD_891056828711_000 | computation | Reference Data From Materials Project: {formula:BCl(OF2)2,spaceGroup:Cc,id:mp-557856} |
| RD_891086558473_000 | computation | Reference Data From Materials Project: {formula:Li10B14Cl2O25,spaceGroup:F23,id:mp-23122} |
| RD_891218635980_000 | computation | Reference Data From Materials Project: {formula:Ba2Mn(BO2)6,spaceGroup:R-3,id:mp-18990} |
| RD_891356784099_000 | computation | BZr in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_891834931642_000 | computation | Reference Data From Materials Project: {formula:LuB2Ru,spaceGroup:Pmnb,id:mp-29239} |
| RD_891983917162_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-764714} |
| RD_892230499783_000 | computation | Reference Data From Materials Project: {formula:ScBRh3,spaceGroup:Pm-3m,id:mp-569875} |
| RD_892794477372_000 | computation | Reference Data From Materials Project: {formula:KZn4(BO3)3,spaceGroup:P2/c,id:mp-6652} |
| RD_893055378287_000 | computation | Reference Data From Materials Project: {formula:Tm2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-21608} |
| RD_893060531284_000 | computation | Reference Data From Materials Project: {formula:BSBr,spaceGroup:P2_1/c,id:mp-27245} |
| RD_893277781211_000 | computation | Reference Data From Materials Project: {formula:Na6Cr2B4SO16,spaceGroup:Fd3,id:mp-853192} |
| RD_893439333771_000 | computation | Reference Data From Materials Project: {formula:Na2Y2B2O7,spaceGroup:P2_1/c,id:mp-6331} |
| RD_893463464575_000 | computation | B in AFLOW crystal prototype A_oP28_58_3g2h. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_893846037469_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-780135} |
| RD_894417048623_000 | computation | Reference Data From Materials Project: {formula:BaAlBO3F2,spaceGroup:P6_3/m,id:mp-10510} |
| RD_894735394873_000 | computation | Reference Data From Materials Project: {formula:Mg3B11(H3O8)3,spaceGroup:Pbcn,id:mp-733898} |
| RD_894831932382_000 | computation | Reference Data From Materials Project: {formula:SnB4O7,spaceGroup:P2_1nm,id:mp-13252} |
| RD_895917996001_000 | computation | Reference Data From Materials Project: {formula:ZnB2(CN)8,spaceGroup:P-3m1,id:mp-569303} |
| RD_895989699497_000 | computation | Reference Data From Materials Project: {formula:Co4B6O13,spaceGroup:I-43m,id:mp-19343} |
| RD_896187810339_000 | computation | Reference Data From Materials Project: {formula:Ba4Nd7Si12BN27,spaceGroup:P-6,id:mp-695553} |
| RD_896484773710_000 | computation | Reference Data From Materials Project: {formula:LiBBr2,spaceGroup:F-43m,id:mp-631545} |
| RD_896660820536_000 | computation | Reference Data From Materials Project: {formula:NaSr4(BO3)3,spaceGroup:Ia-3d,id:mp-560768} |
| RD_896780694136_000 | computation | Reference Data From Materials Project: {formula:Zn(BIr)2,spaceGroup:I4/mmm,id:mp-28786} |
| RD_897007274450_000 | computation | Reference Data From Materials Project: {formula:Bi5BO10,spaceGroup:P2_1/c,id:mp-769030} |
| RD_897036848986_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-780799} |
| RD_897689843987_000 | computation | Reference Data From Materials Project: {formula:Sr5B3ClO9,spaceGroup:C222_1,id:mp-555203} |
| RD_898290736251_000 | computation | Reference Data From Materials Project: {formula:Ca5BC4Cl3,spaceGroup:Cmcm,id:mp-781865} |
| RD_898357407785_000 | computation | Reference Data From Materials Project: {formula:Ca3BCNCl2,spaceGroup:Pmcn,id:mp-649453} |
| RD_898456884703_000 | computation | B in AFLOW crystal prototype A_hR12_166_2h (alpha-Boron). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_898605005495_000 | computation | Reference Data From Materials Project: {formula:Bi6B10O21,spaceGroup:P-1,id:mp-768871} |
| RD_898755002881_000 | computation | Reference Data From Materials Project: {formula:LuBO3,spaceGroup:Cmcm,id:mp-760461} |
| RD_899682091180_000 | computation | Reference Data From Materials Project: {formula:Ca2SiB5O14,spaceGroup:P2_1/c,id:mp-867937} |
| RD_899700841803_000 | computation | Reference Data From Materials Project: {formula:Mg8BRh4,spaceGroup:Fd-3m,id:mp-568621} |
| RD_899942323970_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-850980} |
| RD_900607524617_000 | computation | Reference Data From Materials Project: {formula:PrGeBO5,spaceGroup:P3_1,id:mp-10080} |
| RD_900803670950_000 | computation | Reference Data From Materials Project: {formula:KB6P(H2O7)2,spaceGroup:P4/ncc,id:mp-758840} |
| RD_901231261975_000 | computation | Reference Data From Materials Project: {formula:Ba2GdB2ClO6,spaceGroup:P2_1/m,id:mp-866304} |
| RD_901254211759_000 | computation | Reference Data From Materials Project: {formula:Al4(B2O5)3,spaceGroup:R3,id:mp-31408} |
| RD_901304531561_000 | computation | Reference Data From Materials Project: {formula:Ca(BIr)2,spaceGroup:Fddd,id:mp-14445} |
| RD_902108316824_000 | computation | Reference Data From Materials Project: {formula:BaCoBP2HO9,spaceGroup:P-1,id:mp-25676} |
| RD_902278011943_000 | computation | Reference Data From Materials Project: {formula:K3Ta3(BO6)2,spaceGroup:P-62m,id:mp-9870} |
| RD_902433950307_000 | computation | Reference Data From Materials Project: {formula:LiBH,spaceGroup:Pmnb,id:mp-23694} |
| RD_902548002581_000 | computation | Reference Data From Materials Project: {formula:B3Ru2,spaceGroup:P6_3/mmc,id:mp-13854} |
| RD_902677624831_000 | computation | BN in AFLOW crystal prototype AB_hP4_194_c_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_902862453658_000 | computation | Reference Data From Materials Project: {formula:Li3Ti(BO3)2,spaceGroup:P-1,id:mp-770209} |
| RD_903340070639_000 | computation | Reference Data From Materials Project: {formula:BPS4,spaceGroup:I222,id:mp-27724} |
| RD_903413964323_000 | computation | Reference Data From Materials Project: {formula:La26B8O51,spaceGroup:P1,id:mp-759763} |
| RD_903666175234_000 | computation | Reference Data From Materials Project: {formula:B3H5,spaceGroup:Ccm2_1,id:mp-29721} |
| RD_903715149440_000 | computation | Reference Data From Materials Project: {formula:AlB2,spaceGroup:P6/mmm,id:mp-944} |
| RD_903840576628_000 | computation | Reference Data From Materials Project: {formula:Sm3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-16086} |
| RD_904436549631_000 | computation | Reference Data From Materials Project: {formula:RbBSe3,spaceGroup:P2_1/c,id:mp-10552} |
| RD_904470889313_000 | computation | Reference Data From Materials Project: {formula:LiCuBO3,spaceGroup:P1,id:mp-776378} |
| RD_904711572048_000 | computation | Reference Data From Materials Project: {formula:Mn5B2P,spaceGroup:I4/mcm,id:mp-12633} |
| RD_905400417200_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_905688746366_000 | computation | Reference Data From Materials Project: {formula:BaAl2B2O7,spaceGroup:R32,id:mp-9844} |
| RD_906728578392_000 | computation | Reference Data From Materials Project: {formula:Na2B2S5,spaceGroup:Pmcn,id:mp-29411} |
| RD_906774301312_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P-1,id:mp-780499} |
| RD_906797688594_000 | computation | Reference Data From Materials Project: {formula:Zn8B4H3O15F,spaceGroup:P2_1,id:mp-676956} |
| RD_907115501141_000 | computation | Reference Data From Materials Project: {formula:Nd(CoB)4,spaceGroup:P4_2/n,id:mp-581471} |
| RD_907383643566_000 | computation | Reference Data From Materials Project: {formula:BiBPbO4,spaceGroup:P2_1/c,id:mp-556601} |
| RD_907849041889_000 | computation | Reference Data From Materials Project: {formula:Li6Fe(BO3)3,spaceGroup:P2_1/c,id:mp-772525} |
| RD_907856847282_000 | computation | Reference Data From Materials Project: {formula:BH2CO,spaceGroup:C2/c,id:mp-696298} |
| RD_908090388893_000 | computation | Reference Data From Materials Project: {formula:SmBRh3,spaceGroup:Pm-3m,id:mp-4982} |
| RD_908668231295_000 | computation | Reference Data From Materials Project: {formula:GdBRh3,spaceGroup:Pm-3m,id:mp-19840} |
| RD_909482974330_000 | computation | Reference Data From Materials Project: {formula:Cr3B7BrO13,spaceGroup:F-43c,id:mp-25743} |
| RD_910026405697_000 | computation | Reference Data From Materials Project: {formula:Li5Mn8(BO3)8,spaceGroup:P1,id:mp-777661} |
| RD_910221120186_000 | computation | Reference Data From Materials Project: {formula:LiVBO3,spaceGroup:P-1,id:mp-778756} |
| RD_910538714004_000 | computation | Reference Data From Materials Project: {formula:Rb(BH)6,spaceGroup:Fm3,id:mp-24123} |
| RD_910601411582_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764862} |
| RD_910871803736_000 | computation | Reference Data From Materials Project: {formula:HoBO3,spaceGroup:Ccmm,id:mp-752713} |
| RD_911138952109_000 | computation | Reference Data From Materials Project: {formula:Na2Er2B2O7,spaceGroup:P2_1/c,id:mp-555104} |
| RD_911537320100_000 | computation | Reference Data From Materials Project: {formula:TbFe3(BO3)4,spaceGroup:P3_121,id:mp-18979} |
| RD_911701612066_000 | computation | Reference Data From Materials Project: {formula:LuBPd3,spaceGroup:Pm-3m,id:mp-3105} |
| RD_911856640269_000 | computation | Reference Data From Materials Project: {formula:Ni21(SnB3)2,spaceGroup:Fm-3m,id:mp-21573} |
| RD_911944345005_000 | computation | Reference Data From Materials Project: {formula:ThB2Ir3,spaceGroup:P6/mmm,id:mp-10115} |
| RD_911983372645_000 | computation | Reference Data From Materials Project: {formula:PrB2Ir3,spaceGroup:P6/mmm,id:mp-11594} |
| RD_912697681788_000 | computation | Reference Data From Materials Project: {formula:Bi4(BO4)3,spaceGroup:I-43d,id:mp-769052} |
| RD_913165063518_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-779173} |
| RD_913302572341_000 | computation | Reference Data From Materials Project: {formula:Ti9Fe2(B4Ru9)2,spaceGroup:P4/mbm,id:mp-684003} |
| RD_913390609866_000 | computation | Reference Data From Materials Project: {formula:U(BH4)4,spaceGroup:P4_32_12,id:mp-27350} |
| RD_913589225471_000 | computation | Reference Data From Materials Project: {formula:Li6Cu(B2O5)2,spaceGroup:P1,id:mp-556002} |
| RD_913629282296_000 | computation | Reference Data From Materials Project: {formula:UB2Os3,spaceGroup:P6/mmm,id:mp-10132} |
| RD_913632528176_000 | computation | Reference Data From Materials Project: {formula:EuB2Rh3,spaceGroup:P6/mmm,id:mp-21127} |
| RD_913639182469_000 | computation | Reference Data From Materials Project: {formula:TbB2Ru3,spaceGroup:P6/mmm,id:mp-3186} |
| RD_913725924177_000 | computation | Reference Data From Materials Project: {formula:Mn2B,spaceGroup:I4/mcm,id:mp-20318} |
| RD_913730059707_000 | computation | Reference Data From Materials Project: {formula:K3Y3(BO3)4,spaceGroup:P2_1/c,id:mp-642313} |
| RD_913774552514_000 | computation | Reference Data From Materials Project: {formula:KScBP2HO9,spaceGroup:P-1,id:mp-23808} |
| RD_913930692371_000 | computation | Reference Data From Materials Project: {formula:Na2B4H8O11,spaceGroup:P2_1/c,id:mp-706659} |
| RD_913973510670_000 | computation | Reference Data From Materials Project: {formula:GdB2,spaceGroup:P6/mmm,id:mp-425} |
| RD_914084775181_000 | computation | Reference Data From Materials Project: {formula:CaSn(BO3)2,spaceGroup:R-3,id:mp-14398} |
| RD_914558670748_000 | computation | Reference Data From Materials Project: {formula:NdB2Ru3,spaceGroup:P6/mmm,id:mp-7099} |
| RD_914805492239_000 | computation | Reference Data From Materials Project: {formula:NaAlB14,spaceGroup:Imcm,id:mp-34763} |
| RD_914822394994_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-779403} |
| RD_914909113340_000 | computation | Reference Data From Materials Project: {formula:LuBO3,spaceGroup:R-3c,id:mp-7560} |
| RD_915553937566_000 | computation | Reference Data From Materials Project: {formula:BaAlBO3F2,spaceGroup:P-62c,id:mp-558491} |
| RD_915667893168_000 | computation | Reference Data From Materials Project: {formula:YB12,spaceGroup:Fm-3m,id:mp-7817} |
| RD_916297701647_000 | computation | BN in AFLOW crystal prototype AB_oF32_70_e_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_916615680774_000 | computation | Reference Data From Materials Project: {formula:Ca3YAl3B4O15,spaceGroup:Pm,id:mp-694012} |
| RD_916657793875_000 | computation | Reference Data From Materials Project: {formula:La2B3Br,spaceGroup:P-6m2,id:mp-568985} |
| RD_916734521140_000 | computation | Reference Data From Materials Project: {formula:Na2B3HO6,spaceGroup:P2_1/c,id:mp-706631} |
| RD_917185522407_000 | computation | Reference Data From Materials Project: {formula:BN3Cl2,spaceGroup:P2_1/c,id:mp-27486} |
| RD_917604767559_000 | computation | Reference Data From Materials Project: {formula:MnFeBO4,spaceGroup:Pm,id:mp-771061} |
| RD_917689706199_000 | computation | Reference Data From Materials Project: {formula:B(HO)3,spaceGroup:P-1,id:mp-23791} |
| RD_918527497801_000 | computation | Reference Data From Materials Project: {formula:Mn3B7BrO13,spaceGroup:F-43c,id:mp-567153} |
| RD_918728233155_000 | computation | Reference Data From Materials Project: {formula:Lu5Si3B,spaceGroup:P6_3/mcm,id:mp-13234} |
| RD_918760688044_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_919272775738_000 | computation | Reference Data From Materials Project: {formula:NaB3H4O7,spaceGroup:C2/c,id:mp-720642} |
| RD_919608796618_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P2_1/c,id:mp-569655} |
| RD_920239192052_000 | computation | Reference Data From Materials Project: {formula:K3B6BrO10,spaceGroup:R3m,id:mp-23612} |
| RD_920244564948_000 | computation | Reference Data From Materials Project: {formula:CsBC3NO2F9,spaceGroup:P-1,id:mp-559063} |
| RD_920249559268_000 | computation | Reference Data From Materials Project: {formula:LuB2Os3,spaceGroup:P6/mmm,id:mp-2880} |
| RD_920268062838_000 | computation | Reference Data From Materials Project: {formula:Cu3B7BrO13,spaceGroup:F-43c,id:mp-554590} |
| RD_920532186956_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:Cc,id:mp-774078} |
| RD_920616419057_000 | computation | Reference Data From Materials Project: {formula:B5PH4Cl,spaceGroup:Pbca,id:mp-758806} |
| RD_920722348955_000 | computation | Reference Data From Materials Project: {formula:AlB2Pb,spaceGroup:F-43m,id:mp-631514} |
| RD_920847587712_000 | computation | Reference Data From Materials Project: {formula:LiFeBO3,spaceGroup:P2_1/c,id:mp-769690} |
| RD_921232648958_000 | computation | Reference Data From Materials Project: {formula:BaBi2(B2O5)2,spaceGroup:P2_1/c,id:mp-560550} |
| RD_921458165414_000 | computation | Reference Data From Materials Project: {formula:Zr2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-5172} |
| RD_921645141332_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3/mmc,id:mp-629015} |
| RD_921827155701_000 | computation | Reference Data From Materials Project: {formula:Al3(Co10B3)2,spaceGroup:Fm-3m,id:mp-505537} |
| RD_922064058855_000 | computation | Reference Data From Materials Project: {formula:Li2VBPO7,spaceGroup:P2_1/m,id:mp-772254} |
| RD_922394172318_000 | computation | Reference Data From Materials Project: {formula:Eu(BIr)4,spaceGroup:P4_2/n,id:mp-20578} |
| RD_922481245519_000 | computation | Reference Data From Materials Project: {formula:Li6MnFe5(BO3)6,spaceGroup:Pm,id:mp-774324} |
| RD_922521376889_000 | computation | Reference Data From Materials Project: {formula:TbCu(BO2)5,spaceGroup:Icma,id:mp-17323} |
| RD_922605422954_000 | computation | Reference Data From Materials Project: {formula:Mg3(Ni10B3)2,spaceGroup:Fm-3m,id:mp-10117} |
| RD_923355895740_000 | computation | Reference Data From Materials Project: {formula:Dy2B4C,spaceGroup:Immm,id:mp-568541} |
| RD_923516029817_000 | computation | Reference Data From Materials Project: {formula:Mg3Mn3(BO5)2,spaceGroup:P2_1/m,id:mp-706550} |
| RD_923893815828_000 | computation | Reference Data From Materials Project: {formula:Sc2CrB2Rh5,spaceGroup:P4/mbm,id:mp-542021} |
| RD_923972431163_000 | computation | Reference Data From Materials Project: {formula:Na6Sn2B4SO16,spaceGroup:Fd3,id:mp-780239} |
| RD_924411972431_000 | computation | Reference Data From Materials Project: {formula:Ni21(B3Sb)2,spaceGroup:Fm-3m,id:mp-10123} |
| RD_924718071070_000 | computation | Reference Data From Materials Project: {formula:BBr,spaceGroup:P1,id:mp-685043} |
| RD_925117517097_000 | computation | Reference Data From Materials Project: {formula:SiB11H10C4F11,spaceGroup:P2_1/c,id:mp-559162} |
| RD_925194469185_000 | computation | Reference Data From Materials Project: {formula:K3Sm(BO3)2,spaceGroup:Pmnb,id:mp-559574} |
| RD_925386551535_000 | computation | Reference Data From Materials Project: {formula:Li2NiBO4,spaceGroup:P2_1/c,id:mp-771404} |
| RD_925768152822_000 | computation | Reference Data From Materials Project: {formula:PrB2Ru3,spaceGroup:P6/mmm,id:mp-5939} |
| RD_925978517065_000 | computation | BN in AFLOW crystal prototype AB_cF8_216_a_c (ZnS). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_926409328549_000 | computation | Reference Data From Materials Project: {formula:BW,spaceGroup:I4_1/amd,id:mp-7832} |
| RD_926544081137_000 | computation | Reference Data From Materials Project: {formula:GdB2Ru3,spaceGroup:P6/mmm,id:mp-22335} |
| RD_926563618653_000 | computation | Reference Data From Materials Project: {formula:TmBO3,spaceGroup:P6_3/mcm,id:mp-17620} |
| RD_926901138360_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-775322} |
| RD_927537592689_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764482} |
| RD_927649294604_000 | computation | Reference Data From Materials Project: {formula:In2GeB,spaceGroup:Fm-3m,id:mp-631527} |
| RD_927670902075_000 | computation | Reference Data From Materials Project: {formula:Li3MnFe2(BO3)3,spaceGroup:Pm,id:mp-850366} |
| RD_928035486154_000 | computation | BN in AFLOW crystal prototype AB_hP4_194_c_d. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_928151058418_000 | computation | Reference Data From Materials Project: {formula:SrLiBO3,spaceGroup:P2_1/c,id:mp-10814} |
| RD_928183032775_000 | computation | BHf 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_928258901557_000 | computation | Reference Data From Materials Project: {formula:B13C2,spaceGroup:R-3m,id:mp-576} |
| RD_928327762680_000 | computation | Reference Data From Materials Project: {formula:Be4B,spaceGroup:P4/nmm,id:mp-27757} |
| RD_928410276893_000 | computation | Reference Data From Materials Project: {formula:Tb(BC)2,spaceGroup:P4/mbm,id:mp-10854} |
| RD_928518302495_000 | computation | Reference Data From Materials Project: {formula:TmB2,spaceGroup:P6/mmm,id:mp-800} |
| RD_928560264980_000 | computation | Reference Data From Materials Project: {formula:RbB10H9,spaceGroup:Pbn2_1,id:mp-27650} |
| RD_928647158139_000 | computation | Reference Data From Materials Project: {formula:TbCo3B2,spaceGroup:P6/mmm,id:mp-3040} |
| RD_928652152177_000 | computation | Reference Data From Materials Project: {formula:Bi24B2O39,spaceGroup:P1,id:mp-775842} |
| RD_928763603730_000 | computation | Reference Data From Materials Project: {formula:Eu2B5ClO9,spaceGroup:P2nn,id:mp-553918} |
| RD_928932977424_000 | computation | Reference Data From Materials Project: {formula:HfB2O5,spaceGroup:P2_1/c,id:mp-559617} |
| RD_930734180447_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764678} |
| RD_931154997466_000 | computation | Reference Data From Materials Project: {formula:EuBPd3,spaceGroup:Pm-3m,id:mp-20040} |
| RD_931245532861_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764587} |
| RD_931926210748_000 | computation | Reference Data From Materials Project: {formula:Na2FeBPO7,spaceGroup:P2_1/m,id:mp-771801} |
| RD_932196347941_000 | computation | BZr 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_932233428120_000 | computation | Reference Data From Materials Project: {formula:RbBe4(BO3)3,spaceGroup:Pbnm,id:mp-556393} |
| RD_932268631510_000 | computation | Reference Data From Materials Project: {formula:Ce2Co5B2,spaceGroup:P6_3/mmc,id:mp-574273} |
| RD_932536801804_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:Cm,id:mp-779390} |
| RD_932673367131_000 | computation | Reference Data From Materials Project: {formula:LiCoBO3,spaceGroup:P1,id:mp-770270} |
| RD_933063037065_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-778832} |
| RD_933877998204_000 | computation | Reference Data From Materials Project: {formula:LaBRh3,spaceGroup:Pm-3m,id:mp-3088} |
| RD_933883754630_000 | computation | Reference Data From Materials Project: {formula:In2ReB,spaceGroup:Fm-3m,id:mp-631547} |
| RD_933943494154_000 | computation | Reference Data From Materials Project: {formula:Tl3BS3,spaceGroup:P2_1/m,id:mp-29337} |
| RD_934084726831_000 | computation | Reference Data From Materials Project: {formula:NaBPt3,spaceGroup:P6/mmm,id:mp-28614} |
| RD_934136694789_000 | computation | Reference Data From Materials Project: {formula:Li2Bi(BO3)2,spaceGroup:P2_1/c,id:mp-768437} |
| RD_934654908241_000 | computation | Reference Data From Materials Project: {formula:Ca(BO2)2,spaceGroup:Pbna,id:mp-3417} |
| RD_934783202689_000 | computation | Reference Data From Materials Project: {formula:LuCo3B2,spaceGroup:P6/mmm,id:mp-15709} |
| RD_934898871987_000 | computation | Reference Data From Materials Project: {formula:Co21(B3Sb)2,spaceGroup:Fm-3m,id:mp-505544} |
| RD_935045887444_000 | computation | Reference Data From Materials Project: {formula:Sm11(CoB)40,spaceGroup:P-42_1c,id:mp-649331} |
| RD_935212935903_000 | computation | Reference Data From Materials Project: {formula:Co4B6O13,spaceGroup:I-43m,id:mp-19343} |
| RD_935392313011_000 | computation | Reference Data From Materials Project: {formula:TbB6,spaceGroup:Pm-3m,id:mp-12763} |
| RD_935927356272_000 | computation | Reference Data From Materials Project: {formula:Li11Fe3B24(PbO24)2,spaceGroup:P1,id:mp-694909} |
| RD_936150691598_000 | computation | Reference Data From Materials Project: {formula:Li11Mn12(BO3)12,spaceGroup:P1,id:mp-768040} |
| RD_936406778516_000 | computation | Reference Data From Materials Project: {formula:K2Ge3(BO5)2,spaceGroup:C2,id:mp-560019} |
| RD_937137953103_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764723} |
| RD_937535131922_000 | computation | Reference Data From Materials Project: {formula:BaBAsO5,spaceGroup:P3_121,id:mp-9784} |
| RD_937836812665_000 | computation | Reference Data From Materials Project: {formula:RbLi2Ga2(BO3)3,spaceGroup:P2/c,id:mp-16872} |
| RD_938251784938_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-778763} |
| RD_938936200968_000 | computation | Reference Data From Materials Project: {formula:Al3(Co10B3)2,spaceGroup:Fm-3m,id:mp-505537} |
| RD_939428610778_000 | computation | Reference Data From Materials Project: {formula:B(HO)3,spaceGroup:P3_2,id:mp-759069} |
| RD_939508870447_000 | computation | Reference Data From Materials Project: {formula:Ni21(B3Sb)2,spaceGroup:Fm-3m,id:mp-10123} |
| RD_939942038126_000 | computation | Reference Data From Materials Project: {formula:Zr2(Co7B2)3,spaceGroup:Fm-3m,id:mp-541854} |
| RD_940016540926_000 | computation | Reference Data From Materials Project: {formula:Ga8BIr4,spaceGroup:I4_1/acd,id:mp-28924} |
| RD_940205217020_000 | computation | Reference Data From Materials Project: {formula:Li5Mn8(BO3)8,spaceGroup:P1,id:mp-778680} |
| RD_940389486056_000 | computation | Reference Data From Materials Project: {formula:Na3FeSiBO7,spaceGroup:P2_1/m,id:mp-771581} |
| RD_940559248922_000 | computation | Reference Data From Materials Project: {formula:La(BRu)4,spaceGroup:P4_2/n,id:mp-7347} |
| RD_940561746445_000 | computation | Reference Data From Materials Project: {formula:Rb2B4O7,spaceGroup:P-1,id:mp-16980} |
| RD_940588634226_000 | computation | Reference Data From Materials Project: {formula:NaBH4,spaceGroup:P4_2/nmc,id:mp-38725} |
| RD_940663463581_000 | computation | Reference Data From Materials Project: {formula:CsBF4,spaceGroup:Pmcn,id:mp-4057} |
| RD_940905074847_000 | computation | Reference Data From Materials Project: {formula:NbB2,spaceGroup:P6/mmm,id:mp-450} |
| RD_941420591358_000 | computation | Reference Data From Materials Project: {formula:Li2Cr(BO2)5,spaceGroup:P2_1/c,id:mp-772433} |
| RD_941557572938_000 | computation | Reference Data From Materials Project: {formula:Ba3Tm(BO3)3,spaceGroup:P6_3cm,id:mp-14385} |
| RD_941795100051_000 | computation | Reference Data From Materials Project: {formula:Sn5(BRh3)2,spaceGroup:P-62m,id:mp-30060} |
| RD_942393276742_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-781673} |
| RD_942780118985_000 | computation | Reference Data From Materials Project: {formula:SmCo3B2,spaceGroup:P6/mmm,id:mp-5410} |
| RD_942781142791_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-853194} |
| RD_942836113565_000 | computation | Reference Data From Materials Project: {formula:Ag(BCl)6,spaceGroup:Pa3,id:mp-567334} |
| RD_943031605209_000 | computation | Reference Data From Materials Project: {formula:Y3FeB7,spaceGroup:Cmcm,id:mp-14542} |
| RD_943685253393_000 | computation | Reference Data From Materials Project: {formula:KBH4,spaceGroup:Pmcn,id:mp-24814} |
| RD_943758530075_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-780910} |
| RD_943907369812_000 | computation | Reference Data From Materials Project: {formula:CaGaBiB2O7,spaceGroup:P-42_1m,id:mp-698605} |
| RD_944051070437_000 | computation | Reference Data From Materials Project: {formula:Li3V3(BO5)2,spaceGroup:P1,id:mp-770487} |
| RD_944095126172_000 | computation | Reference Data From Materials Project: {formula:Ba2Zr6BCl17,spaceGroup:I4/m,id:mp-568105} |
| RD_944275505847_000 | computation | Reference Data From Materials Project: {formula:HoBPd3,spaceGroup:Pm-3m,id:mp-3693} |
| RD_944476754126_000 | computation | Reference Data From Materials Project: {formula:CsLi2BS3,spaceGroup:Pmcn,id:mp-559238} |
| RD_944675362602_000 | computation | B in AFLOW crystal prototype A_hR12_166_2h (alpha-Boron). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_944676481828_000 | computation | Reference Data From Materials Project: {formula:LaSc3(BO3)4,spaceGroup:Cc,id:mp-554815} |
| RD_944947010824_000 | computation | Reference Data From Materials Project: {formula:Mg2ZnB2Ir5,spaceGroup:P4/mbm,id:mp-865031} |
| RD_946024674977_000 | computation | Reference Data From Materials Project: {formula:Sc2MnB2Rh5,spaceGroup:P4/mbm,id:mp-542022} |
| RD_946378543222_000 | computation | Reference Data From Materials Project: {formula:TbB6,spaceGroup:Pm-3m,id:mp-12763} |
| RD_946532814837_000 | computation | Reference Data From Materials Project: {formula:BaGaBO3F2,spaceGroup:P6_3/m,id:mp-10509} |
| RD_946543907577_000 | computation | Reference Data From Materials Project: {formula:LaSc3(BO3)4,spaceGroup:R32,id:mp-556530} |
| RD_946741497497_000 | computation | Reference Data From Materials Project: {formula:Na3BiBPO7,spaceGroup:P2_1/m,id:mp-768582} |
| RD_946820346897_000 | computation | Reference Data From Materials Project: {formula:LiNb(BO3)2,spaceGroup:P2_1/c,id:mp-761857} |
| RD_947197224006_000 | computation | Reference Data From Materials Project: {formula:TmB6,spaceGroup:Pm-3m,id:mp-571352} |
| RD_947223946492_000 | computation | Reference Data From Materials Project: {formula:CaBPO5,spaceGroup:P3_121,id:mp-6667} |
| RD_947460303065_000 | computation | Reference Data From Materials Project: {formula:Li4Mn2Fe(BO3)4,spaceGroup:Pc,id:mp-767650} |
| RD_947462081652_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3/mmc,id:mp-984} |
| RD_947692839264_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-778403} |
| RD_947812183124_000 | computation | Reference Data From Materials Project: {formula:Y3(B3Os4)2,spaceGroup:Fmmm,id:mp-571209} |
| RD_948720854554_000 | computation | Reference Data From Materials Project: {formula:La2B4Rh5,spaceGroup:Fmmm,id:mp-14696} |
| RD_949247814284_000 | computation | Reference Data From Materials Project: {formula:Cr3B7ClO13,spaceGroup:F-43c,id:mp-566691} |
| RD_949719488568_000 | computation | Reference Data From Materials Project: {formula:LiBF4,spaceGroup:P3_121,id:mp-12403} |
| RD_949941795170_000 | computation | Reference Data From Materials Project: {formula:Ca2B5H2ClO10,spaceGroup:Cc,id:mp-698170} |
| RD_950036444423_000 | computation | Reference Data From Materials Project: {formula:CuB(CN)4,spaceGroup:P-43m,id:mp-13589} |
| RD_951217877090_000 | computation | Reference Data From Materials Project: {formula:Ce4B2N5,spaceGroup:C2/m,id:mp-31017} |
| RD_951326885276_000 | computation | Reference Data From Materials Project: {formula:Co21(B3W)2,spaceGroup:Fm-3m,id:mp-672221} |
| RD_951740703257_000 | computation | Reference Data From Materials Project: {formula:Mg(B2O5)3,spaceGroup:Pbca,id:mp-868019} |
| RD_952110755922_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-764586} |
| RD_952224151025_000 | computation | Reference Data From Materials Project: {formula:Ca(BS2)2,spaceGroup:Pa3,id:mp-30958} |
| RD_952235192707_000 | computation | Reference Data From Materials Project: {formula:CaNi4B,spaceGroup:P6/mmm,id:mp-8307} |
| RD_952413570251_000 | computation | Reference Data From Materials Project: {formula:BH5CSN2,spaceGroup:Pnma,id:mp-706606} |
| RD_952792403418_000 | computation | Reference Data From Materials Project: {formula:CeBN2,spaceGroup:P-1,id:mp-29595} |
| RD_952955954334_000 | computation | Reference Data From Materials Project: {formula:BaLiBO3,spaceGroup:P2_1/c,id:mp-6499} |
| RD_953137488137_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-777663} |
| RD_953355351288_000 | computation | Reference Data From Materials Project: {formula:Na3Y(BO3)2,spaceGroup:P2_1/c,id:mp-556039} |
| RD_953476205528_000 | computation | Reference Data From Materials Project: {formula:LiAlB2O5,spaceGroup:C2/c,id:mp-557104} |
| RD_953927097035_000 | computation | Reference Data From Materials Project: {formula:BiBTe,spaceGroup:F-43m,id:mp-631511} |
| RD_953986650543_000 | computation | Reference Data From Materials Project: {formula:Ag2BBr,spaceGroup:Fm-3m,id:mp-631581} |
| RD_954242229313_000 | computation | Reference Data From Materials Project: {formula:Al(Ni10B7)2,spaceGroup:Fm-3m,id:mp-505473} |
| RD_954409174719_000 | computation | Reference Data From Materials Project: {formula:Na6V2B4PO16,spaceGroup:Fd3,id:mp-851006} |
| RD_954538427007_000 | computation | Reference Data From Materials Project: {formula:LuB6,spaceGroup:Pm-3m,id:mp-12660} |
| RD_954561321048_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-849514} |
| RD_955219298306_000 | computation | Reference Data From Materials Project: {formula:LiFeBO3,spaceGroup:P-6,id:mp-777255} |
| RD_955567569295_000 | computation | Reference Data From Materials Project: {formula:Cu3B7IO13,spaceGroup:F-43c,id:mp-651682} |
| RD_955928394069_000 | computation | Reference Data From Materials Project: {formula:Ca2B5H2ClO10,spaceGroup:P1,id:mp-24595} |
| RD_956164739483_000 | computation | Reference Data From Materials Project: {formula:Pr2Fe14B,spaceGroup:P4_2/mnm,id:mp-683944} |
| RD_956581385758_000 | computation | Reference Data From Materials Project: {formula:ErB6,spaceGroup:Pm-3m,id:mp-1296} |
| RD_956621803221_000 | computation | B in AFLOW crystal prototype A_hR12_166_2h (alpha-Boron). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_956669951096_000 | computation | Reference Data From Materials Project: {formula:BaB2H10O9,spaceGroup:P2_1/c,id:mp-720267} |
| RD_956724645885_000 | computation | Reference Data From Materials Project: {formula:TlBTe2,spaceGroup:F-43m,id:mp-631520} |
| RD_957044553002_000 | computation | Reference Data From Materials Project: {formula:Ba2Cu(BO3)2,spaceGroup:Pnma,id:mp-559180} |
| RD_957649297800_000 | computation | Reference Data From Materials Project: {formula:Cs(BH)6,spaceGroup:Fm3,id:mp-24136} |
| RD_958494223000_000 | computation | Reference Data From Materials Project: {formula:FeBPbO4,spaceGroup:Pmnb,id:mp-25689} |
| RD_958736448459_000 | computation | Reference Data From Materials Project: {formula:Yb2(NiB2)3,spaceGroup:Cmmm,id:mp-14344} |
| RD_958903855235_000 | computation | Reference Data From Materials Project: {formula:Li3V3(BO5)2,spaceGroup:Pb2_1m,id:mp-770154} |
| RD_959274781867_000 | computation | Reference Data From Materials Project: {formula:AgBTe4C(OF4)5,spaceGroup:P2_1/c,id:mp-559834} |
| RD_959427204937_000 | computation | Reference Data From Materials Project: {formula:Sr4Li(BN2)3,spaceGroup:Im-3m,id:mp-9723} |
| RD_959726128205_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:Pmnb,id:mp-771069} |
| RD_960106749164_000 | computation | Reference Data From Materials Project: {formula:YbBO3,spaceGroup:P6_3/mcm,id:mp-14237} |
| RD_960348535788_000 | computation | Reference Data From Materials Project: {formula:Tb(BO2)3,spaceGroup:Ibam,id:mp-11112} |
| RD_960367148114_000 | computation | Reference Data From Materials Project: {formula:B2H12C3(NO)6,spaceGroup:P2_1/c,id:mp-558377} |
| RD_960887639652_000 | computation | Reference Data From Materials Project: {formula:Cd2B2O5,spaceGroup:P-1,id:mp-7210} |
| RD_960940433736_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3mc,id:mp-2653} |
| RD_960977964267_000 | computation | Reference Data From Materials Project: {formula:Ba2Zn(BO3)2,spaceGroup:Pc2_1b,id:mp-559138} |
| RD_961000264419_000 | computation | Reference Data From Materials Project: {formula:Yb3Ni13B2,spaceGroup:P6/mmm,id:mp-865970} |
| RD_961154019246_000 | computation | Reference Data From Materials Project: {formula:Nd2Co7B3,spaceGroup:P6/mmm,id:mp-582394} |
| RD_961425294095_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:Pmnb,id:mp-761286} |
| RD_961608338253_000 | computation | Reference Data From Materials Project: {formula:Cr2(Co7B2)3,spaceGroup:Fm-3m,id:mp-542727} |
| RD_961621377901_000 | computation | Reference Data From Materials Project: {formula:BH6N,spaceGroup:Pn2_1m,id:mp-35082} |
| RD_962117211880_000 | computation | Reference Data From Materials Project: {formula:KB3(H3O4)2,spaceGroup:C2/c,id:mp-707961} |
| RD_962130523653_000 | computation | Reference Data From Materials Project: {formula:Ba2BN2Cl,spaceGroup:I4_132,id:mp-568923} |
| RD_962184321205_000 | computation | Reference Data From Materials Project: {formula:Y2FeB,spaceGroup:F-43m,id:mp-631661} |
| RD_962633999171_000 | computation | BN in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_962700144048_000 | computation | Reference Data From Materials Project: {formula:B5W2,spaceGroup:R-3m,id:mp-8079} |
| RD_962872034057_000 | computation | Reference Data From Materials Project: {formula:BI3,spaceGroup:P6_3/m,id:mp-23189} |
| RD_963190111849_000 | computation | Reference Data From Materials Project: {formula:HfB2,spaceGroup:P6/mmm,id:mp-1994} |
| RD_963246302187_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-849704} |
| RD_963445159713_000 | computation | Reference Data From Materials Project: {formula:Y(BRh)4,spaceGroup:P4_2/nmc,id:mp-5984} |
| RD_963814613727_000 | computation | BHf in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_964479954257_000 | computation | Reference Data From Materials Project: {formula:Ba3(BO3)2,spaceGroup:Pnnm,id:mp-779608} |
| RD_964671898588_000 | computation | Reference Data From Materials Project: {formula:ZrFe12Si2B,spaceGroup:I-43m,id:mp-653838} |
| RD_965080320597_000 | computation | Reference Data From Materials Project: {formula:La3InB,spaceGroup:Pm-3m,id:mp-20590} |
| RD_965080396561_000 | computation | Reference Data From Materials Project: {formula:Gd3Ni19B10,spaceGroup:C2/m,id:mp-866774} |
| RD_965268880581_000 | computation | Reference Data From Materials Project: {formula:PrBPd3,spaceGroup:Pm-3m,id:mp-2976} |
| RD_965744137623_000 | computation | BZr in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_966613276317_000 | computation | Reference Data From Materials Project: {formula:NaB3O5,spaceGroup:P2_1/c,id:mp-556226} |
| RD_966924773661_000 | computation | Reference Data From Materials Project: {formula:TbBRh3,spaceGroup:Pm-3m,id:mp-3869} |
| RD_967060553398_000 | computation | Reference Data From Materials Project: {formula:Er(BO2)3,spaceGroup:Pmcn,id:mp-680718} |
| RD_967326593772_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P1,id:mp-850950} |
| RD_967423424095_000 | computation | Reference Data From Materials Project: {formula:In5B4Ir9,spaceGroup:P-62m,id:mp-570692} |
| RD_967724819087_000 | computation | Reference Data From Materials Project: {formula:LiVBO4,spaceGroup:Pnma,id:mp-770028} |
| RD_967749708936_000 | computation | Reference Data From Materials Project: {formula:V5SiB2,spaceGroup:I4/mcm,id:mp-10126} |
| RD_967900102255_000 | computation | Reference Data From Materials Project: {formula:Li6B3SbO9,spaceGroup:P2_1/c,id:mp-769411} |
| RD_968303826336_000 | computation | Reference Data From Materials Project: {formula:Cd3(BO3)2,spaceGroup:Pnnm,id:mp-5560} |
| RD_968541508819_000 | computation | Reference Data From Materials Project: {formula:Cs3B12H12I,spaceGroup:R-3m,id:mp-643710} |
| RD_969800686241_000 | computation | Reference Data From Materials Project: {formula:Li2V5B3O13,spaceGroup:P2_1/m,id:mp-772588} |
| RD_969805977108_000 | computation | Reference Data From Materials Project: {formula:Ce(BC)2,spaceGroup:P4/mbm,id:mp-20908} |
| RD_969881105568_000 | computation | Reference Data From Materials Project: {formula:Eu(BS2)2,spaceGroup:P2_1/c,id:mp-510243} |
| RD_970528181054_000 | computation | Reference Data From Materials Project: {formula:BPO4,spaceGroup:P3_121,id:mp-11653} |
| RD_970809782401_000 | computation | Reference Data From Materials Project: {formula:Li5Fe6(BO3)6,spaceGroup:Cm,id:mp-769424} |
| RD_971034950953_000 | computation | Reference Data From Materials Project: {formula:Ba4Na(BN2)3,spaceGroup:Im-3m,id:mp-9705} |
| RD_971389625128_000 | computation | Reference Data From Materials Project: {formula:Dy3Ni7B2,spaceGroup:P6_3/mmc,id:mp-18399} |
| RD_971978913738_000 | computation | Reference Data From Materials Project: {formula:NbB2,spaceGroup:P6/mmm,id:mp-450} |
| RD_972143965329_000 | computation | B in AFLOW crystal prototype A_tP50_134_a2m2n (T-50 Boron). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_972381953316_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P-1,id:mp-778566} |
| RD_973128625384_000 | computation | Reference Data From Materials Project: {formula:In2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-21551} |
| RD_973262175121_000 | computation | Reference Data From Materials Project: {formula:Mn3(BO3)2,spaceGroup:Pnnm,id:mp-19185} |
| RD_973459534913_000 | computation | Reference Data From Materials Project: {formula:SrCaB5H2ClO10,spaceGroup:P1,id:mp-24705} |
| RD_973674398432_000 | computation | Reference Data From Materials Project: {formula:SrBiB,spaceGroup:F-43m,id:mp-631552} |
| RD_973816277775_000 | computation | Reference Data From Materials Project: {formula:Ce2NiB10,spaceGroup:Pmcb,id:mp-21169} |
| RD_974027453599_000 | computation | Reference Data From Materials Project: {formula:LuB6,spaceGroup:Pm-3m,id:mp-12660} |
| RD_974302854825_000 | computation | Reference Data From Materials Project: {formula:K3Nb3(BO6)2,spaceGroup:P-62m,id:mp-15248} |
| RD_974532746230_000 | computation | Reference Data From Materials Project: {formula:CaB6,spaceGroup:Pm-3m,id:mp-865} |
| RD_974852135902_000 | computation | Reference Data From Materials Project: {formula:Mg3B7ClO13,spaceGroup:F-43c,id:mp-23617} |
| RD_975121301082_000 | computation | Reference Data From Materials Project: {formula:CeBPt2,spaceGroup:P6_222,id:mp-10468} |
| RD_975992176764_000 | computation | Reference Data From Materials Project: {formula:Na3Fe(BO3)2,spaceGroup:P2_1/c,id:mp-772695} |
| RD_976163554420_000 | computation | Reference Data From Materials Project: {formula:MnB,spaceGroup:Pmcn,id:mp-8365} |
| RD_976511964814_000 | computation | Reference Data From Materials Project: {formula:NaInBP2HO9,spaceGroup:P2_1/c,id:mp-757312} |
| RD_976712593741_000 | computation | Reference Data From Materials Project: {formula:LiBH2C4O9,spaceGroup:Pbca,id:mp-707929} |
| RD_976958724714_000 | computation | Reference Data From Materials Project: {formula:LiCrB2O5,spaceGroup:P2_1/c,id:mp-770010} |
| RD_977656080909_000 | computation | Reference Data From Materials Project: {formula:KBC4NF9,spaceGroup:Pbnm,id:mp-558972} |
| RD_977811293983_000 | computation | Reference Data From Materials Project: {formula:BAs,spaceGroup:F-43m,id:mp-10044} |
| RD_978385060936_000 | computation | Reference Data From Materials Project: {formula:Hf3B2Ir5,spaceGroup:P4/mbm,id:mp-22409} |
| RD_978766550831_000 | computation | Reference Data From Materials Project: {formula:Mg3B7ClO13,spaceGroup:Pca2_1,id:mp-23087} |
| RD_979093769165_000 | computation | Reference Data From Materials Project: {formula:Sr3Pr2(BO3)4,spaceGroup:Pna2_1,id:mp-6803} |
| RD_979101696876_000 | computation | Reference Data From Materials Project: {formula:Ag(BCl)6,spaceGroup:Pa3,id:mp-567334} |
| RD_979108231128_000 | computation | Reference Data From Materials Project: {formula:Be(BC)2,spaceGroup:Pnmm,id:mp-569299} |
| RD_979342472491_000 | computation | Reference Data From Materials Project: {formula:Na6Mn2B4AsO16,spaceGroup:Fd3,id:mp-770785} |
| RD_979701750130_000 | computation | Reference Data From Materials Project: {formula:B5H2Pb2O11,spaceGroup:P2_1/c,id:mp-707942} |
| RD_979894028733_000 | computation | Reference Data From Materials Project: {formula:B5Pb2ClO9,spaceGroup:P2nn,id:mp-557103} |
| RD_980592467906_000 | computation | Reference Data From Materials Project: {formula:BPt,spaceGroup:P6_3/mmc,id:mp-2192} |
| RD_981586237455_000 | computation | Reference Data From Materials Project: {formula:HoB7Mo3,spaceGroup:Pmnb,id:mp-504877} |
| RD_982117840775_000 | computation | Reference Data From Materials Project: {formula:YbB4Os,spaceGroup:Pbam,id:mp-865902} |
| RD_982325348072_000 | computation | Reference Data From Materials Project: {formula:SrB6,spaceGroup:Pm-3m,id:mp-242} |
| RD_982753122791_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-780102} |
| RD_983248725101_000 | computation | Reference Data From Materials Project: {formula:CeCo4B,spaceGroup:P6/mmm,id:mp-21878} |
| RD_983451061666_000 | computation | Reference Data From Materials Project: {formula:B4PF9,spaceGroup:Pcmn,id:mp-27426} |
| RD_983453565834_000 | computation | Reference Data From Materials Project: {formula:BaBPO5,spaceGroup:P3_221,id:mp-6040} |
| RD_983455382444_000 | computation | Reference Data From Materials Project: {formula:NdB4,spaceGroup:P4/mbm,id:mp-1632} |
| RD_984610962849_000 | computation | Reference Data From Materials Project: {formula:Li3V(BO3)2,spaceGroup:P-1,id:mp-779831} |
| RD_985143198340_000 | computation | Reference Data From Materials Project: {formula:TbB4,spaceGroup:P4/mbm,id:mp-19984} |
| RD_985206697359_000 | computation | Reference Data From Materials Project: {formula:Tb2B2C3,spaceGroup:Cmmm,id:mp-568624} |
| RD_985482688469_000 | computation | Reference Data From Materials Project: {formula:Li2B5SbO10,spaceGroup:P2_1/c,id:mp-769374} |
| RD_985550461878_000 | computation | Reference Data From Materials Project: {formula:La(BIr)4,spaceGroup:P4_2/n,id:mp-9596} |
| RD_985898870024_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764800} |
| RD_985909824597_000 | computation | Reference Data From Materials Project: {formula:GdB2Rh2C,spaceGroup:I4/mmm,id:mp-19756} |
| RD_985924062414_000 | computation | Reference Data From Materials Project: {formula:KCa4(BO3)3,spaceGroup:C2cm,id:mp-555023} |
| RD_986114080908_000 | computation | Reference Data From Materials Project: {formula:B17F27,spaceGroup:P-1,id:mp-30935} |
| RD_986115383860_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-773548} |
| RD_986553846892_000 | computation | Reference Data From Materials Project: {formula:LiB3P(HO3)3,spaceGroup:Pbcn,id:mp-850414} |
| RD_988018322025_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3/mmc,id:mp-629015} |
| RD_988109247410_000 | computation | Reference Data From Materials Project: {formula:Cr3B4,spaceGroup:Immm,id:mp-889} |
| RD_988507311046_000 | computation | Reference Data From Materials Project: {formula:U3Co7B2,spaceGroup:P6_3/mmc,id:mp-505344} |
| RD_988684745415_000 | computation | Reference Data From Materials Project: {formula:LiVBO4,spaceGroup:Ccc2,id:mp-770022} |
| RD_988873402420_000 | computation | Reference Data From Materials Project: {formula:Li2BiBO4,spaceGroup:P2_1/c,id:mp-778115} |
| RD_988900312380_000 | computation | Reference Data From Materials Project: {formula:BaNa4Ti2Si10(BO15)2,spaceGroup:P-1,id:mp-684696} |
| RD_989560909966_000 | computation | Reference Data From Materials Project: {formula:AgBO2,spaceGroup:Pbcn,id:mp-559803} |
| RD_989562983561_000 | computation | Reference Data From Materials Project: {formula:Na2B5H5O11,spaceGroup:Pna2_1,id:mp-720593} |
| RD_989658011232_000 | computation | Reference Data From Materials Project: {formula:KNa(BH4)2,spaceGroup:R-3,id:mp-568428} |
| RD_989928094355_000 | computation | Reference Data From Materials Project: {formula:K3B12H12Br,spaceGroup:R-3m,id:mp-510549} |
| RD_991272488145_000 | computation | Reference Data From Materials Project: {formula:VBO4,spaceGroup:P2_1/c,id:mp-769731} |
| RD_991359086605_000 | computation | Reference Data From Materials Project: {formula:PrB6,spaceGroup:Pm-3m,id:mp-12762} |
| RD_991592205503_000 | computation | Reference Data From Materials Project: {formula:Li3FeBAsO7,spaceGroup:P2_1/m,id:mp-771423} |
| RD_991635943308_000 | computation | Reference Data From Materials Project: {formula:YNi4B,spaceGroup:P6/mmm,id:mp-7559} |
| RD_991674835826_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764465} |
| RD_991814372631_000 | computation | Reference Data From Materials Project: {formula:La10(B3C4)3,spaceGroup:P4_12_12,id:mp-570357} |
| RD_991951793417_000 | computation | Reference Data From Materials Project: {formula:Cs2Ga2B2O7,spaceGroup:P2_1/c,id:mp-556330} |
| RD_992361514228_000 | computation | Reference Data From Materials Project: {formula:K3BS3,spaceGroup:P2_1/c,id:mp-29975} |
| RD_992538159105_000 | computation | Reference Data From Materials Project: {formula:Fe3BO5,spaceGroup:Pmcb,id:mp-510551} |
| RD_992975539846_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-779219} |
| RD_993217832686_000 | computation | Reference Data From Materials Project: {formula:ScB4Ir3,spaceGroup:P6_3/m,id:mp-10114} |
| RD_993261589031_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-849353} |
| RD_993384097588_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764573} |
| RD_993646941209_000 | computation | B in AFLOW crystal prototype A_hR105_166_ac9h4i (beta-Boron). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique 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_993723998488_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_994008257259_000 | computation | Reference Data From Materials Project: {formula:K2B6H5NO2,spaceGroup:Ccmm,id:mp-722910} |
| RD_994218629076_000 | computation | Reference Data From Materials Project: {formula:YbB6,spaceGroup:Pm-3m,id:mp-419} |
| RD_994568604742_000 | computation | Reference Data From Materials Project: {formula:Lu4(B2O5)3,spaceGroup:R3,id:mp-756270} |
| RD_994765934348_000 | computation | Reference Data From Materials Project: {formula:ThBC,spaceGroup:P4_122,id:mp-570254} |
| RD_995013925186_000 | computation | Reference Data From Materials Project: {formula:Tm2Fe14B,spaceGroup:P4_2/mnm,id:mp-5861} |
| RD_995037046385_000 | computation | Reference Data From Materials Project: {formula:SiB2Mo5,spaceGroup:I4/mcm,id:mp-4984} |
| RD_995043858054_000 | computation | Reference Data From Materials Project: {formula:B2PdO4,spaceGroup:I-42d,id:mp-540900} |
| RD_995851647228_000 | computation | Reference Data From Materials Project: {formula:Dy2Fe14B,spaceGroup:P4_2/mnm,id:mp-4023} |
| RD_995891276916_000 | computation | Reference Data From Materials Project: {formula:LiFe8(BO3)8,spaceGroup:P1,id:mp-764492} |
| RD_996607489383_000 | computation | Reference Data From Materials Project: {formula:Ho3Ni19B10,spaceGroup:C2/m,id:mp-28151} |
| RD_996648488306_000 | computation | Reference Data From Materials Project: {formula:K2Zr(BO3)2,spaceGroup:R-3m,id:mp-8891} |
| RD_996687001150_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-781603} |
| RD_996997459547_000 | computation | Reference Data From Materials Project: {formula:K3Nb3(BO6)2,spaceGroup:Pcm2_1,id:mp-557711} |
| RD_997143508069_000 | computation | Reference Data From Materials Project: {formula:Ni5Sn(BO5)2,spaceGroup:Pmnb,id:mp-565991} |
| RD_997335802303_000 | computation | Reference Data From Materials Project: {formula:LaBRh3,spaceGroup:Pm-3m,id:mp-3088} |
| RD_997510834692_000 | computation | Reference Data From Materials Project: {formula:TbNi4B,spaceGroup:P6/mmm,id:mp-12964} |
| RD_997709035990_000 | computation | Reference Data From Materials Project: {formula:Mg10B16Ir19,spaceGroup:I-43m,id:mp-568548} |
| RD_997952350958_000 | computation | Reference Data From Materials Project: {formula:Li2CoBO4,spaceGroup:C2/m,id:mp-778539} |
| RD_998010827832_000 | computation | Reference Data From Materials Project: {formula:NaAl6Fe3Si6B3O30F,spaceGroup:R3m,id:mp-24954} |
| RD_998205829377_000 | computation | Reference Data From Materials Project: {formula:Li2Mn(BO2)5,spaceGroup:P2_1/c,id:mp-772440} |
| RD_998373979988_000 | computation | Reference Data From Materials Project: {formula:NdNi(BO2)5,spaceGroup:P2_1/c,id:mp-19520} |
| RD_999135934486_000 | computation | Reference Data From Materials Project: {formula:Ca3B6(H4O5)4,spaceGroup:C2/c,id:mp-707129} |
| RD_999523255760_000 | computation | Reference Data From Materials Project: {formula:Tb(NiB)2,spaceGroup:C2/c,id:mp-30333} |
| RD_999578614899_000 | computation | Reference Data From Materials Project: {formula:Nb7(B2C)3,spaceGroup:Cmmm,id:mp-29982} |
| Reference Data | Data Method | Description |
|---|---|---|
| RD_000114680279_000 | computation | Reference Data From Materials Project: {formula:BaSi2,spaceGroup:P4_332,id:mp-7275} |
| RD_000385811777_000 | computation | Reference Data From Materials Project: {formula:Ba2Ti9O20,spaceGroup:P-1,id:mp-560731} |
| RD_000405592308_000 | computation | Reference Data From Materials Project: {formula:BaSr7V8(Si2O7)8,spaceGroup:Pm,id:mp-778499} |
| RD_000434393126_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P2_1/c,id:mp-766301} |
| RD_000494017323_000 | computation | Reference Data From Materials Project: {formula:BaGa4S7,spaceGroup:P2_1nm,id:mp-4309} |
| RD_000554193297_000 | computation | Reference Data From Materials Project: {formula:Ba3(PS4)2,spaceGroup:P-3m1,id:mp-561443} |
| RD_000574896163_000 | computation | Reference Data From Materials Project: {formula:Ba4La6Mn5In5O30,spaceGroup:Cm,id:mp-744583} |
| RD_000831118119_000 | computation | Reference Data From Materials Project: {formula:Ba23U8O48,spaceGroup:Fm-3m,id:mp-530905} |
| RD_002422422646_000 | computation | Reference Data From Materials Project: {formula:Ba2CaTl2(CuO4)2,spaceGroup:I4/mmm,id:mp-6885} |
| RD_003255986103_000 | computation | Reference Data From Materials Project: {formula:BaTi7O14,spaceGroup:P-1,id:mp-757266} |
| RD_003453968666_000 | computation | Reference Data From Materials Project: {formula:Ba2UMnO6,spaceGroup:Fm-3m,id:mp-25003} |
| RD_003582143216_000 | computation | Reference Data From Materials Project: {formula:Ba2TmNbO6,spaceGroup:Fm-3m,id:mp-12642} |
| RD_003876511961_000 | computation | Reference Data From Materials Project: {formula:BaLa2Cl8,spaceGroup:C2/m,id:mp-771973} |
| RD_004157834798_000 | computation | Reference Data From Materials Project: {formula:Ba2YIrO6,spaceGroup:Fm-3m,id:mp-15888} |
| RD_004726883998_000 | computation | Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:Pm-3m,id:mp-504715} |
| RD_004810430194_000 | computation | Reference Data From Materials Project: {formula:Ba2SrUO6,spaceGroup:P2_1/c,id:mp-14552} |
| RD_004975584388_000 | computation | Reference Data From Materials Project: {formula:Ba3WO6,spaceGroup:P1,id:mp-697853} |
| RD_005341348104_000 | computation | Reference Data From Materials Project: {formula:Ba3InRu2O9,spaceGroup:P6_3/mmc,id:mp-22352} |
| RD_006094052100_000 | computation | Reference Data From Materials Project: {formula:Ba3NbFe3(SiO7)2,spaceGroup:P321,id:mp-565953} |
| RD_006249647749_000 | computation | Reference Data From Materials Project: {formula:BaTm2F8,spaceGroup:C2/m,id:mp-7693} |
| RD_006416695327_000 | computation | Reference Data From Materials Project: {formula:Ba(SmTe2)2,spaceGroup:Pmnb,id:mp-17786} |
| RD_006933675938_000 | computation | Reference Data From Materials Project: {formula:Ba2Sc2O5,spaceGroup:Pcmn,id:mp-770936} |
| RD_006958534426_000 | computation | Reference Data From Materials Project: {formula:Ba(CdP)2,spaceGroup:P-3m1,id:mp-8279} |
| RD_006988268705_000 | computation | Reference Data From Materials Project: {formula:BaSiO3,spaceGroup:P6_3/mmc,id:mp-18407} |
| RD_007062542662_000 | computation | Reference Data From Materials Project: {formula:Ba2BiRuO6,spaceGroup:P6_3/mmc,id:mp-561147} |
| RD_007193110873_000 | computation | Reference Data From Materials Project: {formula:BaLa4Cu5O12,spaceGroup:P4/m,id:mp-558557} |
| RD_007877447877_000 | computation | Reference Data From Materials Project: {formula:BaCrP2O7,spaceGroup:P-1,id:mp-19110} |
| RD_008801756228_000 | computation | Reference Data From Materials Project: {formula:BaCN2,spaceGroup:R-3c,id:mp-28898} |
| RD_009031508016_000 | computation | Reference Data From Materials Project: {formula:Ba4Ge20Au3,spaceGroup:Pm-3n,id:mp-21839} |
| RD_009224519654_000 | computation | Reference Data From Materials Project: {formula:Ba5(Ga3O7)2,spaceGroup:Cmc2_1,id:mp-771208} |
| RD_009738345833_000 | computation | Reference Data From Materials Project: {formula:BaIrO3,spaceGroup:C2/m,id:mp-542897} |
| RD_009920024007_000 | computation | Reference Data From Materials Project: {formula:BaLa2Br8,spaceGroup:P2/c,id:mp-771981} |
| RD_011586153133_000 | computation | Reference Data From Materials Project: {formula:Ba2Zn(BO2)6,spaceGroup:P-1,id:mp-558680} |
| RD_012125452185_000 | computation | Reference Data From Materials Project: {formula:Ba,spaceGroup:P6/mmm,id:mp-605790} |
| RD_012506804399_000 | computation | Reference Data From Materials Project: {formula:Ba2Si3Ag,spaceGroup:Fddd,id:mp-9867} |
| RD_012690116675_000 | computation | Reference Data From Materials Project: {formula:Ba2Fe6O11,spaceGroup:Pnmn,id:mp-652683} |
| RD_013038586471_000 | computation | Reference Data From Materials Project: {formula:Ba8Nb7O24,spaceGroup:P3m1,id:mp-780569} |
| RD_013272946936_000 | computation | Reference Data From Materials Project: {formula:Ba2Ni7F18,spaceGroup:P-1,id:mp-560626} |
| RD_014043759880_000 | computation | Reference Data From Materials Project: {formula:BaNdNiSbO6,spaceGroup:Pc,id:mp-705415} |
| RD_014220611288_000 | computation | Reference Data From Materials Project: {formula:BaMoO3,spaceGroup:Pm-3m,id:mp-19322} |
| RD_015271765607_000 | computation | Reference Data From Materials Project: {formula:Ba2InClO3,spaceGroup:P4/nmm,id:mp-558243} |
| RD_015352001215_000 | computation | Reference Data From Materials Project: {formula:BaGa2B2O7,spaceGroup:Cmcm,id:mp-560870} |
| RD_015831078580_000 | computation | Reference Data From Materials Project: {formula:Ba2WO3F4,spaceGroup:Cc,id:mp-19234} |
| RD_015991653267_000 | computation | Reference Data From Materials Project: {formula:Ba8Ce7YHO24,spaceGroup:P1,id:mp-695164} |
| RD_016210484423_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:R-3m,id:mp-757070} |
| RD_016224714636_000 | computation | Reference Data From Materials Project: {formula:Ba2DyBiO6,spaceGroup:Fm-3m,id:mp-545659} |
| RD_016241044460_000 | computation | Reference Data From Materials Project: {formula:Ba6Er2Ga4O15,spaceGroup:P2/c,id:mp-555481} |
| RD_016488465975_000 | computation | Reference Data From Materials Project: {formula:BaDy2CoO5,spaceGroup:Pmcn,id:mp-19364} |
| RD_016991809741_000 | computation | Reference Data From Materials Project: {formula:Ba3(BO3)2,spaceGroup:R-3c,id:mp-755417} |
| RD_017626820337_000 | computation | Reference Data From Materials Project: {formula:Ba4OF6,spaceGroup:P6_3mc,id:mp-755009} |
| RD_017694732178_000 | computation | Reference Data From Materials Project: {formula:Ba2SbAu,spaceGroup:Fm-3m,id:mp-862631} |
| RD_017932077658_000 | computation | Reference Data From Materials Project: {formula:BaTi4O9,spaceGroup:Pmnm,id:mp-3175} |
| RD_018427615626_000 | computation | Reference Data From Materials Project: {formula:BaBe2Te,spaceGroup:Fm-3m,id:mp-631532} |
| RD_018479393231_000 | computation | Reference Data From Materials Project: {formula:BaSr2I6,spaceGroup:P321,id:mp-752439} |
| RD_018803961703_000 | computation | Reference Data From Materials Project: {formula:Ba6Na2V2Ru2O17,spaceGroup:P6_3/mmc,id:mp-19501} |
| RD_019423036243_000 | computation | Reference Data From Materials Project: {formula:Ba2NbCrO6,spaceGroup:P6_3/mmc,id:mp-619488} |
| RD_019774079668_000 | computation | Reference Data From Materials Project: {formula:Ba14MnBi11,spaceGroup:I4_1/acd,id:mp-567518} |
| RD_020226163414_000 | computation | Reference Data From Materials Project: {formula:BaCuO2,spaceGroup:Pbam,id:mp-754008} |
| RD_020268868050_000 | computation | Reference Data From Materials Project: {formula:BaS2,spaceGroup:C2/c,id:mp-684} |
| RD_020283335638_000 | computation | Reference Data From Materials Project: {formula:BaHBr,spaceGroup:P4/nmm,id:mp-24424} |
| RD_020360360425_000 | computation | Reference Data From Materials Project: {formula:BaNdFe2O5,spaceGroup:P4/mmm,id:mp-638374} |
| RD_020676047864_000 | computation | Reference Data From Materials Project: {formula:Ba(H2O3)2,spaceGroup:C2,id:mp-625894} |
| RD_021621096164_000 | computation | Reference Data From Materials Project: {formula:Ba6Ca11I34,spaceGroup:P-1,id:mp-766336} |
| RD_021669020159_000 | computation | Reference Data From Materials Project: {formula:BaNa3PCO7,spaceGroup:P2_1/m,id:mp-767530} |
| RD_022016592104_000 | computation | Reference Data From Materials Project: {formula:Ba2TmReO6,spaceGroup:Fm-3m,id:mp-13934} |
| RD_022161462416_000 | computation | Reference Data From Materials Project: {formula:YbBaAl2SiN5O2,spaceGroup:Cc,id:mp-684968} |
| RD_022313047740_000 | computation | Reference Data From Materials Project: {formula:Ba7Sc6Al2O19,spaceGroup:P6_3/mmc,id:mp-559325} |
| RD_022378290850_000 | computation | Reference Data From Materials Project: {formula:BaCu2Te2(ClO3)2,spaceGroup:P2_1,id:mp-554401} |
| RD_022830954893_000 | computation | Reference Data From Materials Project: {formula:BaCaCO3,spaceGroup:P6_3mc,id:mp-696695} |
| RD_023000098650_000 | computation | Reference Data From Materials Project: {formula:BaSi2(BO4)2,spaceGroup:Pnma,id:mp-555387} |
| RD_023137508323_000 | computation | Reference Data From Materials Project: {formula:BaMgSiO4,spaceGroup:P6_3,id:mp-560186} |
| RD_023161735475_000 | computation | Reference Data From Materials Project: {formula:Ba3Bi6PbSe13,spaceGroup:P2_1/m,id:mp-669415} |
| RD_023313274122_000 | computation | Reference Data From Materials Project: {formula:Ba(BSe3)2,spaceGroup:Cmce,id:mp-570823} |
| RD_023392357467_000 | computation | Reference Data From Materials Project: {formula:Ba2Sb3,spaceGroup:P2_1/c,id:mp-16922} |
| RD_023617061962_000 | computation | Reference Data From Materials Project: {formula:BaCe2ZnS5,spaceGroup:I4/mcm,id:mp-16453} |
| RD_023779868998_000 | computation | Reference Data From Materials Project: {formula:Ba2CoSi2O7,spaceGroup:C2/c,id:mp-618688} |
| RD_024222838762_000 | computation | Reference Data From Materials Project: {formula:BaRhO3,spaceGroup:P6_3/mmc,id:mp-7685} |
| RD_024234341810_000 | computation | Reference Data From Materials Project: {formula:BaSn2S3,spaceGroup:P2_1/m,id:mp-27802} |
| RD_024525926439_000 | computation | Reference Data From Materials Project: {formula:Ba3CoSb2O9,spaceGroup:P6_3/mmc,id:mp-19337} |
| RD_024655613856_000 | computation | Reference Data From Materials Project: {formula:Ba3B(PO4)3,spaceGroup:Ibca,id:mp-6578} |
| RD_025080181262_000 | computation | Reference Data From Materials Project: {formula:Eu2BaMn2O7,spaceGroup:Cmcm,id:mp-579071} |
| RD_025097368553_000 | computation | Reference Data From Materials Project: {formula:Ba2LaI7,spaceGroup:C2/c,id:mp-755770} |
| RD_025133006749_000 | computation | Reference Data From Materials Project: {formula:BaSm2ZnO5,spaceGroup:Pmcn,id:mp-6452} |
| RD_025869001682_000 | computation | Reference Data From Materials Project: {formula:BaSr3I8,spaceGroup:I4/mmm,id:mp-754736} |
| RD_025888852170_000 | computation | Reference Data From Materials Project: {formula:BaSb2F12,spaceGroup:P1,id:mp-554765} |
| RD_026106445416_000 | computation | Reference Data From Materials Project: {formula:Ba3Sn2O7,spaceGroup:Ccmm,id:mp-770846} |
| RD_026137190278_000 | computation | Reference Data From Materials Project: {formula:BaHf2As,spaceGroup:Fm-3m,id:mp-631569} |
| RD_026714039889_000 | computation | Reference Data From Materials Project: {formula:BaCu2SnS4,spaceGroup:P3_121,id:mp-17954} |
| RD_026752412050_000 | computation | Reference Data From Materials Project: {formula:BaLa2Br8,spaceGroup:I-4,id:mp-755451} |
| RD_026985236670_000 | computation | Reference Data From Materials Project: {formula:BaZnSnS4,spaceGroup:F2dd,id:mp-13593} |
| RD_027078663097_000 | computation | Reference Data From Materials Project: {formula:Ba3Ta2CdO9,spaceGroup:P-3m1,id:mp-554669} |
| RD_027187948941_000 | computation | Reference Data From Materials Project: {formula:Ba3La2Ti3Cr2O15,spaceGroup:Cmmm,id:mp-705457} |
| RD_027386419197_000 | computation | Reference Data From Materials Project: {formula:BaRuO3,spaceGroup:R-3m,id:mp-5773} |
| RD_027541933780_000 | computation | Reference Data From Materials Project: {formula:Ba4Cu3Ge20,spaceGroup:Pm-3n,id:mp-669542} |
| RD_027721139464_000 | computation | Reference Data From Materials Project: {formula:BaSb2F12,spaceGroup:P1,id:mp-861962} |
| RD_027741758397_000 | computation | Reference Data From Materials Project: {formula:Ba5Al5Sn,spaceGroup:P-6m2,id:mp-570677} |
| RD_027874200719_000 | computation | Reference Data From Materials Project: {formula:Ba(BrO3)2,spaceGroup:C2/c,id:mp-554626} |
| RD_027888502204_000 | computation | Reference Data From Materials Project: {formula:BaY3Cl11,spaceGroup:Pbmm,id:mp-769003} |
| RD_028127044911_000 | computation | Reference Data From Materials Project: {formula:BaMoSeO6,spaceGroup:P2_1/c,id:mp-566189} |
| RD_028205314265_000 | computation | Reference Data From Materials Project: {formula:Ba2CaMoO6,spaceGroup:Fm-3m,id:mp-19403} |
| RD_028730253548_000 | computation | Reference Data From Materials Project: {formula:Ba4OF6,spaceGroup:P6_3mc,id:mp-755009} |
| RD_028924666577_000 | computation | Reference Data From Materials Project: {formula:Ba(BiS2)2,spaceGroup:P6_3/m,id:mp-28057} |
| RD_029020955449_000 | computation | Reference Data From Materials Project: {formula:Ba5Re3ClO15,spaceGroup:P6_3cm,id:mp-556647} |
| RD_029240117659_000 | computation | Reference Data From Materials Project: {formula:Ba2CePtO6,spaceGroup:Fm-3m,id:mp-21879} |
| RD_029259992577_000 | computation | Reference Data From Materials Project: {formula:BaLaCl5,spaceGroup:Pnma,id:mp-770125} |
| RD_029332360894_000 | computation | Reference Data From Materials Project: {formula:BaLa2O4,spaceGroup:Pnma,id:mp-752656} |
| RD_029652417135_000 | computation | Reference Data From Materials Project: {formula:BaPt2,spaceGroup:Fd-3m,id:mp-747} |
| RD_029802444337_000 | computation | Reference Data From Materials Project: {formula:BaCO3,spaceGroup:R-3c,id:mp-674478} |
| RD_030019437554_000 | computation | Reference Data From Materials Project: {formula:BaPd5,spaceGroup:P6/mmm,id:mp-2606} |
| RD_030118321772_000 | computation | Reference Data From Materials Project: {formula:Tb3Ba6Nb(SnO9)2,spaceGroup:P3m1,id:mp-686370} |
| RD_030401444627_000 | computation | Reference Data From Materials Project: {formula:BaLaTaZnO6,spaceGroup:F-43m,id:mp-42054} |
| RD_030557284772_000 | computation | Reference Data From Materials Project: {formula:Ba4As2O,spaceGroup:I4/mmm,id:mp-8300} |
| RD_030883487462_000 | computation | Reference Data From Materials Project: {formula:BaYMn2O6,spaceGroup:P2/c,id:mp-18739} |
| RD_031153522326_000 | computation | Reference Data From Materials Project: {formula:Ba8(CoO3)7,spaceGroup:Fd2d,id:mp-550470} |
| RD_031618772390_000 | computation | Reference Data From Materials Project: {formula:Ba2Y(Cu2O3)2,spaceGroup:Cmmm,id:mp-643471} |
| RD_031679337202_000 | computation | Reference Data From Materials Project: {formula:BaPuO3,spaceGroup:Pm-3m,id:mp-7143} |
| RD_032408400599_000 | computation | Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:Pm-3m,id:mp-2998} |
| RD_032635358092_000 | computation | Reference Data From Materials Project: {formula:Ba10Al3Ge7,spaceGroup:P6_3/mcm,id:mp-27568} |
| RD_032708228556_000 | computation | Reference Data From Materials Project: {formula:EuBa2Cl7,spaceGroup:P2_1/c,id:mp-29550} |
| RD_033335779379_000 | computation | Reference Data From Materials Project: {formula:BaH2(CO2)2,spaceGroup:P2_12_12_1,id:mp-601226} |
| RD_033626135324_000 | computation | Reference Data From Materials Project: {formula:BaCuN,spaceGroup:C2/c,id:mp-29199} |
| RD_033980397757_000 | computation | Reference Data From Materials Project: {formula:Ba6Ni25S27,spaceGroup:Pm-3m,id:mp-9415} |
| RD_034047257094_000 | computation | Reference Data From Materials Project: {formula:Ba5Re3NO18,spaceGroup:P6_3cm,id:mp-555095} |
| RD_034131069297_000 | computation | Reference Data From Materials Project: {formula:BaP3,spaceGroup:C2/m,id:mp-7808} |
| RD_035044487581_000 | computation | Reference Data From Materials Project: {formula:Ba3Y(BO3)3,spaceGroup:P6_3cm,id:mp-6310} |
| RD_035070415547_000 | computation | Reference Data From Materials Project: {formula:Ba8LiTa7O24,spaceGroup:P3m1,id:mp-772523} |
| RD_035268190440_000 | computation | Reference Data From Materials Project: {formula:BaSn2(HO2)2,spaceGroup:P2_1,id:mp-696946} |
| RD_035273797560_000 | computation | Reference Data From Materials Project: {formula:BaBiSe3,spaceGroup:P2_12_12_1,id:mp-27365} |
| RD_035475740216_000 | computation | Reference Data From Materials Project: {formula:Ba7Al13,spaceGroup:P-3m1,id:mp-1952} |
| RD_035610195458_000 | computation | Reference Data From Materials Project: {formula:Ba2CoWO6,spaceGroup:Fm-3m,id:mp-24843} |
| RD_035781978851_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:C2/m,id:mp-766308} |
| RD_035809236363_000 | computation | Reference Data From Materials Project: {formula:Ba2LiGe3,spaceGroup:Fddd,id:mp-17491} |
| RD_035885732085_000 | computation | Reference Data From Materials Project: {formula:BaCdS2,spaceGroup:Pmnb,id:mp-8885} |
| RD_036033946983_000 | computation | Reference Data From Materials Project: {formula:Ba4GeAs4,spaceGroup:P-43n,id:mp-14002} |
| RD_036381119911_000 | computation | Reference Data From Materials Project: {formula:Ba3Li2Mo4P6(ClO14)2,spaceGroup:P2_12_12_1,id:mp-699932} |
| RD_036441342021_000 | computation | Reference Data From Materials Project: {formula:BaSr4U3O14,spaceGroup:Ccme,id:mp-559427} |
| RD_036587117303_000 | computation | Reference Data From Materials Project: {formula:BaNb8O14,spaceGroup:P2_1/c,id:mp-685446} |
| RD_036724965905_000 | computation | Reference Data From Materials Project: {formula:BaP8,spaceGroup:P-1,id:mp-30275} |
| RD_036857252572_000 | computation | Reference Data From Materials Project: {formula:Ba2CaI6,spaceGroup:P4_2/mnm,id:mp-753731} |
| RD_036956050536_000 | computation | Reference Data From Materials Project: {formula:Ba(P2Pd)2,spaceGroup:I4/mmm,id:mp-28895} |
| RD_037052839203_000 | computation | Reference Data From Materials Project: {formula:BaH2N2O5,spaceGroup:P6_1,id:mp-541221} |
| RD_037660767991_000 | computation | Reference Data From Materials Project: {formula:Ba2NdRuO6,spaceGroup:C2/m,id:mp-6200} |
| RD_037835356389_000 | computation | Reference Data From Materials Project: {formula:Ba(Fe2O3)9,spaceGroup:P6_3/mmc,id:mp-582518} |
| RD_038412444278_000 | computation | Reference Data From Materials Project: {formula:Ba2CaReO6,spaceGroup:Fm-3m,id:mp-6635} |
| RD_038761795802_000 | computation | Reference Data From Materials Project: {formula:Ba2LuSbO6,spaceGroup:Fm-3m,id:mp-647903} |
| RD_039218452862_000 | computation | Reference Data From Materials Project: {formula:Ba(TeO3)2,spaceGroup:Cmcm,id:mp-27254} |
| RD_039451048654_000 | computation | Reference Data From Materials Project: {formula:Ba2ErRuO6,spaceGroup:Fm-3m,id:mp-6621} |
| RD_039588448256_000 | computation | Reference Data From Materials Project: {formula:BaYBr5,spaceGroup:C2/c,id:mp-753663} |
| RD_039922284644_000 | computation | Reference Data From Materials Project: {formula:Ba2GdCl7,spaceGroup:P2_1/c,id:mp-29084} |
| RD_040466253685_000 | computation | Reference Data From Materials Project: {formula:Ba6Fe14Cu11S27,spaceGroup:P1,id:mp-686328} |
| RD_040667135811_000 | computation | Reference Data From Materials Project: {formula:BaLaCl5,spaceGroup:P2_1/c,id:mp-773141} |
| RD_040726309456_000 | computation | Reference Data From Materials Project: {formula:Ba2BN2Cl,spaceGroup:I4_132,id:mp-568923} |
| RD_040917145160_000 | computation | Reference Data From Materials Project: {formula:Ba8Tl2Bi2Pb4O17,spaceGroup:P1,id:mp-677325} |
| RD_040961942554_000 | computation | Reference Data From Materials Project: {formula:Ba4Ta2O9,spaceGroup:P-3c1,id:mp-769394} |
| RD_041323878148_000 | computation | Reference Data From Materials Project: {formula:Ba3N,spaceGroup:P6_3/mcm,id:mp-10736} |
| RD_041542563849_000 | computation | Reference Data From Materials Project: {formula:Ba2MnO4,spaceGroup:I4/mmm,id:mp-769951} |
| RD_041604668749_000 | computation | Reference Data From Materials Project: {formula:BaSnO3,spaceGroup:Pm-3m,id:mp-3163} |
| RD_041883854495_000 | computation | Reference Data From Materials Project: {formula:Ba6Ga2Co11O26,spaceGroup:P-3m1,id:mp-642047} |
| RD_042909359674_000 | computation | Reference Data From Materials Project: {formula:Ba6Si25,spaceGroup:P4_132,id:mp-16094} |
| RD_043366958944_000 | computation | Reference Data From Materials Project: {formula:BaCoO2,spaceGroup:P3_121,id:mp-19086} |
| RD_043451551644_000 | computation | Reference Data From Materials Project: {formula:BaHg3,spaceGroup:P6_3/mmc,id:mp-867770} |
| RD_044181437913_000 | computation | Reference Data From Materials Project: {formula:BaMo4(PO8)2,spaceGroup:I-42m,id:mp-566404} |
| RD_044341354618_000 | computation | Reference Data From Materials Project: {formula:Ba2CaTeO6,spaceGroup:Fm-3m,id:mp-550685} |
| RD_045024334876_000 | computation | Reference Data From Materials Project: {formula:BaSn,spaceGroup:Cmcm,id:mp-872} |
| RD_045222281907_000 | computation | Reference Data From Materials Project: {formula:Ba(FeO2)2,spaceGroup:P6_322,id:mp-19285} |
| RD_045235283857_000 | computation | Reference Data From Materials Project: {formula:Ba3CaRu2O9,spaceGroup:P-62c,id:mp-541485} |
| RD_045522800454_000 | computation | Reference Data From Materials Project: {formula:Ba(CdSb)2,spaceGroup:P-3m1,id:mp-8150} |
| RD_045684651112_000 | computation | Reference Data From Materials Project: {formula:Ba2YF7,spaceGroup:C2/c,id:mp-753793} |
| RD_045935741778_000 | computation | Reference Data From Materials Project: {formula:BaMnV2(AgO4)2,spaceGroup:P-3,id:mp-19174} |
| RD_046636535859_000 | computation | Reference Data From Materials Project: {formula:BaPt,spaceGroup:P6_3/mmc,id:mp-31498} |
| RD_047206186496_000 | computation | Reference Data From Materials Project: {formula:Ba5(GaS4)2,spaceGroup:Ccme,id:mp-28252} |
| RD_047573367441_000 | computation | Reference Data From Materials Project: {formula:BaNdO3,spaceGroup:Pm-3m,id:mp-755877} |
| RD_048304349188_000 | computation | Reference Data From Materials Project: {formula:BaLa3TiCr3O12,spaceGroup:P2/c,id:mp-699403} |
| RD_048727198762_000 | computation | Reference Data From Materials Project: {formula:Ba2Sm(CuO2)3,spaceGroup:P4/mmm,id:mp-622576} |
| RD_048751228616_000 | computation | Reference Data From Materials Project: {formula:Ba(MgBi)2,spaceGroup:P-3m1,id:mp-29209} |
| RD_048755056000_000 | computation | Reference Data From Materials Project: {formula:K2Ba(Ge4O9)2,spaceGroup:P-3c1,id:mp-662803} |
| RD_048774042759_000 | computation | Reference Data From Materials Project: {formula:TbBa2SbO6,spaceGroup:Fm-3m,id:mp-6265} |
| RD_049135932520_000 | computation | Reference Data From Materials Project: {formula:Eu2Ba2ZnPtO8,spaceGroup:Pmcn,id:mp-566287} |
| RD_049153837937_000 | computation | Reference Data From Materials Project: {formula:Ba2B2O5,spaceGroup:P2_1/c,id:mp-771158} |
| RD_049992599082_000 | computation | Reference Data From Materials Project: {formula:BaZnCl4,spaceGroup:Pcnb,id:mp-23522} |
| RD_050596694310_000 | computation | Reference Data From Materials Project: {formula:Ba2YTlCu2O7,spaceGroup:P4/mmm,id:mp-654374} |
| RD_050921684195_000 | computation | Reference Data From Materials Project: {formula:Ba2Mn2Bi2O,spaceGroup:P6_3/mmc,id:mp-566276} |
| RD_051061515110_000 | computation | Reference Data From Materials Project: {formula:Ba2Sc2O5,spaceGroup:P4/mmm,id:mp-867133} |
| RD_051114569626_000 | computation | Reference Data From Materials Project: {formula:Ba2NiTeO6,spaceGroup:R-3m,id:mp-19011} |
| RD_051867384690_000 | computation | Reference Data From Materials Project: {formula:Ba(SiRh)2,spaceGroup:P2_1/c,id:mp-18655} |
| RD_052386952138_000 | computation | Reference Data From Materials Project: {formula:Ba2GdNbO6,spaceGroup:Fm-3m,id:mp-19996} |
| RD_052770839374_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_052978260657_000 | computation | Reference Data From Materials Project: {formula:BaSi2O5,spaceGroup:C2/c,id:mp-5224} |
| RD_053121244735_000 | computation | Reference Data From Materials Project: {formula:Ba3In2O6,spaceGroup:I4/mmm,id:mp-20352} |
| RD_053605550624_000 | computation | Reference Data From Materials Project: {formula:BaAsPd,spaceGroup:P-6m2,id:mp-9744} |
| RD_053975225305_000 | computation | Reference Data From Materials Project: {formula:Ba(PdO2)2,spaceGroup:I4_1/a,id:mp-759541} |
| RD_054087286977_000 | computation | Reference Data From Materials Project: {formula:BaH4O3,spaceGroup:P-1,id:mp-626735} |
| RD_054306416775_000 | computation | Reference Data From Materials Project: {formula:Ba(Hf2As3)6,spaceGroup:P1,id:mp-686673} |
| RD_054337345664_000 | computation | Reference Data From Materials Project: {formula:BaVSi2O7,spaceGroup:I4/m,id:mp-565626} |
| RD_054476174662_000 | computation | Reference Data From Materials Project: {formula:BaVS3,spaceGroup:Ccm2_1,id:mp-3451} |
| RD_054488912554_000 | computation | Reference Data From Materials Project: {formula:Ba2CoWO6,spaceGroup:Fm-3m,id:mp-24843} |
| RD_054564656757_000 | computation | Reference Data From Materials Project: {formula:BaYCo4O7,spaceGroup:P6_3mc,id:mp-19151} |
| RD_054852096738_000 | computation | Reference Data From Materials Project: {formula:BaCd(PO3)4,spaceGroup:P2_1/c,id:mp-540736} |
| RD_055490089086_000 | computation | Reference Data From Materials Project: {formula:Ba(GeP)2,spaceGroup:P4_2mc,id:mp-27809} |
| RD_055625280399_000 | computation | Reference Data From Materials Project: {formula:Ba4Ho(RuO4)3,spaceGroup:R-3m,id:mp-560380} |
| RD_055717236909_000 | computation | Reference Data From Materials Project: {formula:Ba4LiBi3O11,spaceGroup:Cm2m,id:mp-775429} |
| RD_056028752386_000 | computation | Reference Data From Materials Project: {formula:Ba3Na2Cr4F20,spaceGroup:P2_1/c,id:mp-566917} |
| RD_056169662380_000 | computation | Reference Data From Materials Project: {formula:Ba2LuIrO6,spaceGroup:Fm-3m,id:mp-22594} |
| RD_056224758470_000 | computation | Reference Data From Materials Project: {formula:Ba(FeS2)2,spaceGroup:I4,id:mp-675078} |
| RD_056716679344_000 | computation | Reference Data From Materials Project: {formula:BaPd5,spaceGroup:P6/mmm,id:mp-2606} |
| RD_057134928286_000 | computation | Reference Data From Materials Project: {formula:Ba2YNbO6,spaceGroup:Fm-3m,id:mp-7251} |
| RD_057145428869_000 | computation | Reference Data From Materials Project: {formula:BaIrO3,spaceGroup:C2/c,id:mp-4307} |
| RD_057303800290_000 | computation | Reference Data From Materials Project: {formula:Ba2Sb,spaceGroup:I4/mmm,id:mp-9908} |
| RD_057554235945_000 | computation | Reference Data From Materials Project: {formula:Ba2Ta2O7,spaceGroup:Cmcm,id:mp-770239} |
| RD_058068043455_000 | computation | Reference Data From Materials Project: {formula:Ba2TmNbO6,spaceGroup:Fm-3m,id:mp-12642} |
| RD_058646556913_000 | computation | Reference Data From Materials Project: {formula:BaGd2O4,spaceGroup:Pmnb,id:mp-17143} |
| RD_058960867039_000 | computation | Reference Data From Materials Project: {formula:BaGaF5,spaceGroup:P2_12_12_1,id:mp-541629} |
| RD_059168847699_000 | computation | Reference Data From Materials Project: {formula:BaAg2SnS4,spaceGroup:I222,id:mp-555166} |
| RD_059357155121_000 | computation | Reference Data From Materials Project: {formula:Ba4LiTa3O12,spaceGroup:P6_3mc,id:mp-16792} |
| RD_059550749731_000 | computation | Reference Data From Materials Project: {formula:BaHgO2,spaceGroup:R-3m,id:mp-3915} |
| RD_059559195012_000 | computation | Reference Data From Materials Project: {formula:Ba11Sb10,spaceGroup:Immm,id:mp-542428} |
| RD_059665610138_000 | computation | Reference Data From Materials Project: {formula:BaLu2O4,spaceGroup:Pnma,id:mp-752442} |
| RD_060187862299_000 | computation | Reference Data From Materials Project: {formula:BaInCo4O7,spaceGroup:P6_3mc,id:mp-25737} |
| RD_060344724349_000 | computation | Reference Data From Materials Project: {formula:Ba3Al2(SiO4)3,spaceGroup:Ia-3d,id:mp-14049} |
| RD_060664816446_000 | computation | Reference Data From Materials Project: {formula:BaZnO2,spaceGroup:P3_121,id:mp-4236} |
| RD_061124850535_000 | computation | Reference Data From Materials Project: {formula:BaLaTaZnO6,spaceGroup:F-43m,id:mp-42054} |
| RD_061697251769_000 | computation | Reference Data From Materials Project: {formula:Ba4GeP4,spaceGroup:P-43n,id:mp-14215} |
| RD_062600104699_000 | computation | Reference Data From Materials Project: {formula:Ba8Zr3(SbO6)4,spaceGroup:I4/mmm,id:mp-667372} |
| RD_062770649756_000 | computation | Reference Data From Materials Project: {formula:Ba2ZnReO6,spaceGroup:Fm-3m,id:mp-549970} |
| RD_063067644775_000 | computation | Reference Data From Materials Project: {formula:Ba2FeReO6,spaceGroup:Fm-3m,id:mp-31756} |
| RD_063336378968_000 | computation | Reference Data From Materials Project: {formula:BaLi2SiO4,spaceGroup:P6_3cm,id:mp-558310} |
| RD_063409604518_000 | computation | Reference Data From Materials Project: {formula:Ba2GdSbO6,spaceGroup:Fm-3m,id:mp-753668} |
| RD_063759083131_000 | computation | Reference Data From Materials Project: {formula:Ba8Ta7O24,spaceGroup:P3m1,id:mp-773073} |
| RD_063871083671_000 | computation | Reference Data From Materials Project: {formula:BaSe,spaceGroup:Pm-3m,id:mp-10680} |
| RD_063935955474_000 | computation | Reference Data From Materials Project: {formula:Ba2CaMgAl2F14,spaceGroup:C2/c,id:mp-540862} |
| RD_064442516463_000 | computation | Reference Data From Materials Project: {formula:BaLaMgBiO6,spaceGroup:F-43m,id:mp-41414} |
| RD_064522934854_000 | computation | Reference Data From Materials Project: {formula:BaSe2,spaceGroup:C2/c,id:mp-7547} |
| RD_064784959383_000 | computation | Reference Data From Materials Project: {formula:Ba2P3Pd,spaceGroup:P2_1/c,id:mp-28894} |
| RD_064885124895_000 | computation | Reference Data From Materials Project: {formula:BaSi7N10,spaceGroup:Pc,id:mp-29703} |
| RD_065115452374_000 | computation | Reference Data From Materials Project: {formula:Ba5Bi3O11,spaceGroup:C2mm,id:mp-753124} |
| RD_065392410207_000 | computation | Reference Data From Materials Project: {formula:BaP4O11,spaceGroup:P2_1/c,id:mp-779518} |
| RD_065602505463_000 | computation | Reference Data From Materials Project: {formula:BaHg2(ClO)2,spaceGroup:P4/mbm,id:mp-555736} |
| RD_065998190521_000 | computation | Reference Data From Materials Project: {formula:BaY2ZnO5,spaceGroup:Pmcn,id:mp-6121} |
| RD_067932000275_000 | computation | Reference Data From Materials Project: {formula:BaCuBi,spaceGroup:P6_3/mmc,id:mp-31145} |
| RD_067960971376_000 | computation | Reference Data From Materials Project: {formula:BaLiPrTeO6,spaceGroup:F-43m,id:mp-41219} |
| RD_068108769173_000 | computation | Reference Data From Materials Project: {formula:BaCeO3,spaceGroup:Pm-3m,id:mp-5663} |
| RD_068543471211_000 | computation | Reference Data From Materials Project: {formula:Ba2CaTl2(CuO4)2,spaceGroup:I4/mmm,id:mp-573069} |
| RD_068570107521_000 | computation | Reference Data From Materials Project: {formula:Ba2Cu3P4,spaceGroup:Imcb,id:mp-28661} |
| RD_068627261476_000 | computation | Reference Data From Materials Project: {formula:Ba2ScFeAsO3,spaceGroup:P4/nmm,id:mp-863842} |
| RD_068977902927_000 | computation | Reference Data From Materials Project: {formula:Ba3P4O13,spaceGroup:P1,id:mp-675756} |
| RD_068980529591_000 | computation | Reference Data From Materials Project: {formula:Ba3WN4,spaceGroup:Pcab,id:mp-14743} |
| RD_069193099616_000 | computation | Reference Data From Materials Project: {formula:BaSc3AgS6,spaceGroup:Pcmn,id:mp-554796} |
| RD_069640027480_000 | computation | Reference Data From Materials Project: {formula:BaBeF4,spaceGroup:Pmcn,id:mp-12431} |
| RD_069931519533_000 | computation | Reference Data From Materials Project: {formula:BaSr2(PN2)6,spaceGroup:Pa3,id:mp-567486} |
| RD_069934947753_000 | computation | Reference Data From Materials Project: {formula:Ba2YNbO6,spaceGroup:Fm-3m,id:mp-7251} |
| RD_070040535979_000 | computation | Reference Data From Materials Project: {formula:Ba(SbSe2)2,spaceGroup:P2_1/c,id:mp-4727} |
| RD_070159534637_000 | computation | Reference Data From Materials Project: {formula:BaNa5Ca7P6(O8F)3,spaceGroup:P1,id:mp-693753} |
| RD_070699784184_000 | computation | Reference Data From Materials Project: {formula:BaLa2In2O7,spaceGroup:P4_2/mnm,id:mp-21699} |
| RD_071239997511_000 | computation | Reference Data From Materials Project: {formula:BaFeF5,spaceGroup:I4,id:mp-554520} |
| RD_071415989089_000 | computation | Reference Data From Materials Project: {formula:BaTcO3,spaceGroup:P6_3/mmc,id:mp-555174} |
| RD_071434750724_000 | computation | Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:P4mm,id:mp-5986} |
| RD_071502305443_000 | computation | Reference Data From Materials Project: {formula:Ba2Sc2B4O11,spaceGroup:C2/c,id:mp-558688} |
| RD_071874306712_000 | computation | Reference Data From Materials Project: {formula:Ba(Mo3S4)2,spaceGroup:P-1,id:mp-5716} |
| RD_072102265309_000 | computation | Reference Data From Materials Project: {formula:Ba2NdBiO6,spaceGroup:C2/m,id:mp-546321} |
| RD_072205492374_000 | computation | Reference Data From Materials Project: {formula:BaC2,spaceGroup:C2/c,id:mp-10293} |
| RD_072291191918_000 | computation | Reference Data From Materials Project: {formula:Ba3Er2Cu2PtO10,spaceGroup:C2/m,id:mp-8837} |
| RD_072974715360_000 | computation | Reference Data From Materials Project: {formula:Ba9(NbN6)2,spaceGroup:P-1,id:mp-541765} |
| RD_073157527961_000 | computation | Reference Data From Materials Project: {formula:Ba(IrO3)2,spaceGroup:R3,id:mp-674187} |
| RD_073341321686_000 | computation | Reference Data From Materials Project: {formula:BaH3C3O7,spaceGroup:P2_1/c,id:mp-23755} |
| RD_074226507155_000 | computation | Vacancy Diffusion Properties from DFT Calculation: Ba, hcp Structure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-56) because the author said they use similar DFT input parameters as the items in the Materials Project. |
| RD_074872078621_000 | computation | Reference Data From Materials Project: {formula:BaB2(HO)8,spaceGroup:P2_1/c,id:mp-720736} |
| RD_075103731879_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P2_1/c,id:mp-766310} |
| RD_075115340677_000 | computation | Reference Data From Materials Project: {formula:Yb2Ba2Al4Si3(N5O2)2,spaceGroup:P1,id:mp-684853} |
| RD_075131794539_000 | computation | Reference Data From Materials Project: {formula:Ba2VI5O17,spaceGroup:P2_1/c,id:mp-705244} |
| RD_075447880709_000 | computation | Reference Data From Materials Project: {formula:BaNaSb,spaceGroup:F-43m,id:mp-961774} |
| RD_075997814819_000 | computation | Reference Data From Materials Project: {formula:BaTi5O11,spaceGroup:P2_1/c,id:mp-27790} |
| RD_076365806587_000 | computation | Reference Data From Materials Project: {formula:Ba2SbAu,spaceGroup:Fm-3m,id:mp-862631} |
| RD_076476177174_000 | computation | Reference Data From Materials Project: {formula:K2BaCo(NO2)6,spaceGroup:Fm3,id:mp-24872} |
| RD_076547242150_000 | computation | Reference Data From Materials Project: {formula:BaNdCo2O5,spaceGroup:Pmmm,id:mp-24853} |
| RD_077414002563_000 | computation | Reference Data From Materials Project: {formula:Ba5Pt2O9,spaceGroup:P321,id:mp-29787} |
| RD_077526307148_000 | computation | Reference Data From Materials Project: {formula:BaMgH4,spaceGroup:Ccmm,id:mp-643718} |
| RD_078133444126_000 | computation | Reference Data From Materials Project: {formula:BaYBr5,spaceGroup:P2_1/c,id:mp-778355} |
| RD_078173482541_000 | computation | Reference Data From Materials Project: {formula:Ba5(Ga3H)2,spaceGroup:P3c1,id:mp-643683} |
| RD_078402393614_000 | computation | Reference Data From Materials Project: {formula:Ba2YTaO6,spaceGroup:I4/m,id:mp-12385} |
| RD_078454022789_000 | computation | Reference Data From Materials Project: {formula:Ba(BiS2)2,spaceGroup:P6_3/m,id:mp-28057} |
| RD_078541029593_000 | computation | Reference Data From Materials Project: {formula:BaP3Pt2,spaceGroup:P2_1/c,id:mp-28373} |
| RD_078610771353_000 | computation | Reference Data From Materials Project: {formula:Ba3Pt2O7,spaceGroup:Cc,id:mp-38108} |
| RD_078706095068_000 | computation | Reference Data From Materials Project: {formula:BaNd2PdO5,spaceGroup:P4/mbm,id:mp-8514} |
| RD_078785420367_000 | computation | Reference Data From Materials Project: {formula:Ba5Ga5Pb,spaceGroup:P-6m2,id:mp-605650} |
| RD_078950085383_000 | computation | Reference Data From Materials Project: {formula:Ba11(Nb3S14)2,spaceGroup:P1,id:mp-676580} |
| RD_079071576885_000 | computation | Reference Data From Materials Project: {formula:BaH5ClO3,spaceGroup:P4/nmm,id:mp-642834} |
| RD_079472694426_000 | computation | Reference Data From Materials Project: {formula:BaMnSb2,spaceGroup:I4/mmm,id:mp-29206} |
| RD_079799327365_000 | computation | Reference Data From Materials Project: {formula:BaZr(PO4)2,spaceGroup:P-3m1,id:mp-560620} |
| RD_080001229986_000 | computation | Reference Data From Materials Project: {formula:Ba(CuO)2,spaceGroup:I4_1/amd,id:mp-7374} |
| RD_080070506027_000 | computation | Reference Data From Materials Project: {formula:BaO,spaceGroup:P4/nmm,id:mp-7487} |
| RD_080177363763_000 | computation | Reference Data From Materials Project: {formula:Ba4Hf3O10,spaceGroup:Ccme,id:mp-779519} |
| RD_080474860676_000 | computation | Reference Data From Materials Project: {formula:Ba7Cu3H17,spaceGroup:P31c,id:mp-707874} |
| RD_080980050161_000 | computation | Reference Data From Materials Project: {formula:Ba(HO)2,spaceGroup:P2_1/c,id:mp-627029} |
| RD_081768229440_000 | computation | Reference Data From Materials Project: {formula:Eu3Ba2Mn2(CuO6)2,spaceGroup:I4/mmm,id:mp-565412} |
| RD_081934895898_000 | computation | Reference Data From Materials Project: {formula:BaLa2Mn3O9,spaceGroup:P-3c1,id:mp-690460} |
| RD_082402676625_000 | computation | Reference Data From Materials Project: {formula:Ba6Nd2Ti4O17,spaceGroup:P6_3/mmc,id:mp-16662} |
| RD_082650992359_000 | computation | Reference Data From Materials Project: {formula:Ba(AgSn)2,spaceGroup:I4/mmm,id:mp-7882} |
| RD_082865994564_000 | computation | Reference Data From Materials Project: {formula:Ba2WO5,spaceGroup:Pmnb,id:mp-504949} |
| RD_082926400210_000 | computation | Reference Data From Materials Project: {formula:Tb2Ba3(PS4)4,spaceGroup:Pbna,id:mp-554264} |
| RD_083271620149_000 | computation | Reference Data From Materials Project: {formula:Ba19Li44,spaceGroup:I-42d,id:mp-569841} |
| RD_083708643332_000 | computation | Reference Data From Materials Project: {formula:BaIn,spaceGroup:Ccmm,id:mp-31509} |
| RD_083758445675_000 | computation | Reference Data From Materials Project: {formula:BaPPt,spaceGroup:P2_13,id:mp-21236} |
| RD_084454275091_000 | computation | Reference Data From Materials Project: {formula:Ba3YIr2O9,spaceGroup:P6_3mc,id:mp-540739} |
| RD_084490806367_000 | computation | Reference Data From Materials Project: {formula:BaPr2O4,spaceGroup:Pmnb,id:mp-17412} |
| RD_084712425058_000 | computation | Reference Data From Materials Project: {formula:Ba2TmCu3O7,spaceGroup:Pmmm,id:mp-622108} |
| RD_084987415594_000 | computation | Reference Data From Materials Project: {formula:Ba5Li2(WO5)3,spaceGroup:P6_3mc,id:mp-566745} |
| RD_086221538523_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P-31m,id:mp-757074} |
| RD_086424111926_000 | computation | Reference Data From Materials Project: {formula:Ba5As3,spaceGroup:P6_3/mcm,id:mp-10045} |
| RD_087434613404_000 | computation | Reference Data From Materials Project: {formula:Ba2ErNbO6,spaceGroup:Fm-3m,id:mp-6653} |
| RD_087545382023_000 | computation | Reference Data From Materials Project: {formula:Ba6Pr3I19,spaceGroup:C2/c,id:mp-570423} |
| RD_088387956002_000 | computation | Reference Data From Materials Project: {formula:Ba(H2O3)2,spaceGroup:P1,id:mp-625909} |
| RD_088972582747_000 | computation | Reference Data From Materials Project: {formula:BaLa2FeS5,spaceGroup:I4/mcm,id:mp-16531} |
| RD_089036062917_000 | computation | Reference Data From Materials Project: {formula:Ba2(Mo2S3)3,spaceGroup:P6_3mc,id:mp-532273} |
| RD_089477173365_000 | computation | Reference Data From Materials Project: {formula:BaLi2(MgGe)2,spaceGroup:R-3m,id:mp-569396} |
| RD_089693033154_000 | computation | Reference Data From Materials Project: {formula:Ba2Mg3H10,spaceGroup:C2/m,id:mp-733604} |
| RD_090105390582_000 | computation | Reference Data From Materials Project: {formula:BaC20,spaceGroup:Pm-3n,id:mp-28979} |
| RD_090905071370_000 | computation | Reference Data From Materials Project: {formula:Ba4La6Mn(Co3O10)3,spaceGroup:P4/mmm,id:mp-744975} |
| RD_090968343829_000 | computation | Reference Data From Materials Project: {formula:Ba2YCl7,spaceGroup:P2_1/c,id:mp-768954} |
| RD_091070935502_000 | computation | Reference Data From Materials Project: {formula:Ba15Fe7S25,spaceGroup:Pmcn,id:mp-680291} |
| RD_091828570584_000 | computation | Reference Data From Materials Project: {formula:K4Ba(VS4)2,spaceGroup:Icma,id:mp-558121} |
| RD_092251930366_000 | computation | Reference Data From Materials Project: {formula:YbBaSn3,spaceGroup:Cmce,id:mp-571479} |
| RD_092939634292_000 | computation | Reference Data From Materials Project: {formula:Ba2La4Mn5SnO18,spaceGroup:P1,id:mp-743694} |
| RD_093193941056_000 | computation | Reference Data From Materials Project: {formula:Ba3BiRu2O9,spaceGroup:C2/c,id:mp-556602} |
| RD_094283862925_000 | computation | Reference Data From Materials Project: {formula:Ba39Li80N9,spaceGroup:I-42m,id:mp-647275} |
| RD_094467832425_000 | computation | Reference Data From Materials Project: {formula:Ba9La5Br33,spaceGroup:P-1,id:mp-851112} |
| RD_094515452284_000 | computation | Reference Data From Materials Project: {formula:Ba13Bi11O36,spaceGroup:P-1,id:mp-758120} |
| RD_094569385011_000 | computation | Reference Data From Materials Project: {formula:Ba6YBr15,spaceGroup:P2_1/c,id:mp-777481} |
| RD_094733522020_000 | computation | Reference Data From Materials Project: {formula:Ba2CoSe2(ClO3)2,spaceGroup:Pmnn,id:mp-629701} |
| RD_095753578528_000 | computation | Reference Data From Materials Project: {formula:Ba2Ge2Te5,spaceGroup:Pc2_1n,id:mp-17885} |
| RD_096364742397_000 | computation | Reference Data From Materials Project: {formula:Ba(H2O3)2,spaceGroup:C2/c,id:mp-625809} |
| RD_096665213582_000 | computation | Reference Data From Materials Project: {formula:Cs2Ba2(CO3)3,spaceGroup:I2_13,id:mp-558539} |
| RD_097613206394_000 | computation | Reference Data From Materials Project: {formula:Ba2Mn3(SeO3)6,spaceGroup:P2_1/c,id:mp-566331} |
| RD_097816032271_000 | computation | Reference Data From Materials Project: {formula:BaRe2Sn,spaceGroup:F-43m,id:mp-631703} |
| RD_098077279851_000 | computation | Reference Data From Materials Project: {formula:Eu2BaZnO5,spaceGroup:Pmcn,id:mp-510479} |
| RD_098288022102_000 | computation | Reference Data From Materials Project: {formula:Ba,spaceGroup:Pm-3m,id:mp-639747} |
| RD_098489614983_000 | computation | Reference Data From Materials Project: {formula:Ba2V2ZnO8,spaceGroup:P2_1/c,id:mp-565665} |
| RD_098605229793_000 | computation | Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:P6_3/mmc,id:mp-5933} |
| RD_099772940670_000 | computation | Reference Data From Materials Project: {formula:Ba3ZnRu2O9,spaceGroup:P6_3/mmc,id:mp-17137} |
| RD_099985516027_000 | computation | Reference Data From Materials Project: {formula:Ba3CoSb2O9,spaceGroup:P6_3/mmc,id:mp-19337} |
| RD_100099680714_000 | computation | Reference Data From Materials Project: {formula:Ba3In2Br2O5,spaceGroup:I4/mmm,id:mp-556004} |
| RD_100135291075_000 | computation | Reference Data From Materials Project: {formula:BaSr(FeO2)4,spaceGroup:P-6m2,id:mp-565880} |
| RD_100791859147_000 | computation | Reference Data From Materials Project: {formula:BaNa2Al4(SiO4)4,spaceGroup:Iba2,id:mp-6875} |
| RD_100899828087_000 | computation | Reference Data From Materials Project: {formula:Ba4Na(BN2)3,spaceGroup:Im-3m,id:mp-9705} |
| RD_101480980460_000 | computation | Reference Data From Materials Project: {formula:Ba3CaI8,spaceGroup:I4/mmm,id:mp-867674} |
| RD_101789409191_000 | computation | Reference Data From Materials Project: {formula:Ba2TlCd,spaceGroup:Fm-3m,id:mp-866292} |
| RD_102001880091_000 | computation | Reference Data From Materials Project: {formula:Ba3Al2(SiO4)3,spaceGroup:Ia-3d,id:mp-14049} |
| RD_102122318439_000 | computation | Reference Data From Materials Project: {formula:BaBi4(ClO3)2,spaceGroup:I4/mmm,id:mp-560145} |
| RD_103300695905_000 | computation | Reference Data From Materials Project: {formula:Ba3Zn6Si4TeO20,spaceGroup:C2/m,id:mp-543034} |
| RD_103357459135_000 | computation | Reference Data From Materials Project: {formula:YbBa2B2ClO6,spaceGroup:P2_1/m,id:mp-556696} |
| RD_104082609232_000 | computation | Reference Data From Materials Project: {formula:BaN2,spaceGroup:C2/c,id:mp-1001} |
| RD_104119411664_000 | computation | Reference Data From Materials Project: {formula:BaSr2I6,spaceGroup:P4_2/mnm,id:mp-754224} |
| RD_104675314205_000 | computation | Reference Data From Materials Project: {formula:BaTi6O13,spaceGroup:P-1,id:mp-504457} |
| RD_104794810577_000 | computation | Reference Data From Materials Project: {formula:BaTm2NiO5,spaceGroup:Pmcn,id:mp-542336} |
| RD_104871107900_000 | computation | Reference Data From Materials Project: {formula:BaNaBO3,spaceGroup:C2/m,id:mp-6660} |
| RD_105016858117_000 | computation | Reference Data From Materials Project: {formula:BaY6Si3B6(O12F)2,spaceGroup:P3m1,id:mp-554918} |
| RD_105298255385_000 | computation | Reference Data From Materials Project: {formula:BaHo2O4,spaceGroup:Pmnb,id:mp-17363} |
| RD_105432470801_000 | computation | Reference Data From Materials Project: {formula:BaZn2As3HO11,spaceGroup:P2_1/c,id:mp-758313} |
| RD_106424448689_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:Pbcm,id:mp-766324} |
| RD_106479354953_000 | computation | Reference Data From Materials Project: {formula:Ba7(Fe3S7)2,spaceGroup:C2/c,id:mp-672715} |
| RD_106729949142_000 | computation | Reference Data From Materials Project: {formula:Eu8Ba5Zn4O21,spaceGroup:I4/m,id:mp-581206} |
| RD_106996584907_000 | computation | Reference Data From Materials Project: {formula:Ba8V7O22,spaceGroup:R-3m,id:mp-557098} |
| RD_107318252476_000 | computation | Reference Data From Materials Project: {formula:BaPbO3,spaceGroup:Pm-3m,id:mp-561598} |
| RD_107922343769_000 | computation | Reference Data From Materials Project: {formula:BaSi4Cu9,spaceGroup:I4/mcm,id:mp-11143} |
| RD_107932913821_000 | computation | Reference Data From Materials Project: {formula:Ba2AsAu,spaceGroup:Fm-3m,id:mp-861937} |
| RD_107983585496_000 | computation | Reference Data From Materials Project: {formula:Ba3In2O5F2,spaceGroup:I4/mmm,id:mp-21445} |
| RD_108617978933_000 | computation | Reference Data From Materials Project: {formula:K2BaCo(NO2)6,spaceGroup:Fm3,id:mp-24872} |
| RD_108663829723_000 | computation | Reference Data From Materials Project: {formula:BaH4(ClO)2,spaceGroup:P2_1/c,id:mp-690703} |
| RD_108868131773_000 | computation | Reference Data From Materials Project: {formula:Ba5Al5Pb,spaceGroup:P-6m2,id:mp-568809} |
| RD_109014494458_000 | computation | Reference Data From Materials Project: {formula:BaS,spaceGroup:Fm-3m,id:mp-1500} |
| RD_109199343636_000 | computation | Reference Data From Materials Project: {formula:BaSb2Pd,spaceGroup:Ccmm,id:mp-9768} |
| RD_109748483406_000 | computation | Reference Data From Materials Project: {formula:Yb16Ba17Zn8Pt4O57,spaceGroup:I4/m,id:mp-680165} |
| RD_109820615745_000 | computation | Reference Data From Materials Project: {formula:CsBaCr3F12,spaceGroup:C2/c,id:mp-567121} |
| RD_109868511651_000 | computation | Reference Data From Materials Project: {formula:Ba3Ce2C5O15F2,spaceGroup:Cm,id:mp-617840} |
| RD_110268154819_000 | computation | Reference Data From Materials Project: {formula:YbBa2RuO6,spaceGroup:Fm-3m,id:mp-12730} |
| RD_110505682445_000 | computation | Reference Data From Materials Project: {formula:BaLi2(MgSi)2,spaceGroup:R-3m,id:mp-570771} |
| RD_111319106491_000 | computation | Reference Data From Materials Project: {formula:BaSm4Si3SeO12,spaceGroup:P6_3,id:mp-39866} |
| RD_111379606781_000 | computation | Reference Data From Materials Project: {formula:Ba2CaWO6,spaceGroup:Fm-3m,id:mp-18977} |
| RD_112070702906_000 | computation | Reference Data From Materials Project: {formula:Ba3Fe2Cl2O5,spaceGroup:I2_13,id:mp-565952} |
| RD_112764892840_000 | computation | Reference Data From Materials Project: {formula:Ba4Pb3O10,spaceGroup:P1,id:mp-752906} |
| RD_112810311692_000 | computation | Reference Data From Materials Project: {formula:Ba(AgS)2,spaceGroup:P-3m1,id:mp-8579} |
| RD_113352043886_000 | computation | Reference Data From Materials Project: {formula:BaNbS3,spaceGroup:P6_3/mmc,id:mp-35143} |
| RD_113972915641_000 | computation | Reference Data From Materials Project: {formula:Ba(H9O5)2,spaceGroup:P2_1/c,id:mp-707786} |
| RD_114381854455_000 | computation | Reference Data From Materials Project: {formula:Ba2Li3TaN4,spaceGroup:C2/c,id:mp-573677} |
| RD_114531858814_000 | computation | Reference Data From Materials Project: {formula:Ba4Si20Au3,spaceGroup:Pm-3n,id:mp-17815} |
| RD_114917146855_000 | computation | Reference Data From Materials Project: {formula:BaIrO3,spaceGroup:Pm-3m,id:mp-5660} |
| RD_115343112977_000 | computation | Reference Data From Materials Project: {formula:Ba3DyUFeO9,spaceGroup:P3m1,id:mp-706328} |
| RD_115385875573_000 | computation | Reference Data From Materials Project: {formula:Ba2GeS4,spaceGroup:Pmnb,id:mp-540805} |
| RD_115775911822_000 | computation | Reference Data From Materials Project: {formula:BaMnSi2,spaceGroup:Pmnb,id:mp-672226} |
| RD_116159598989_000 | computation | Reference Data From Materials Project: {formula:Ba2Zn7F18,spaceGroup:P-1,id:mp-541827} |
| RD_116907103089_000 | computation | Reference Data From Materials Project: {formula:BaLaCuSe3,spaceGroup:Pmnb,id:mp-541430} |
| RD_117207660541_000 | computation | Reference Data From Materials Project: {formula:Ba3MnNb2O9,spaceGroup:P-3m1,id:mp-638406} |
| RD_117228371233_000 | computation | Reference Data From Materials Project: {formula:Ba2LiReO6,spaceGroup:Fm-3m,id:mp-6270} |
| RD_117292711612_000 | computation | Reference Data From Materials Project: {formula:Ba9(TaN6)2,spaceGroup:P-1,id:mp-667314} |
| RD_117397967117_000 | computation | Reference Data From Materials Project: {formula:BaCu2SnSe4,spaceGroup:Cc2m,id:mp-12364} |
| RD_117620320002_000 | computation | Reference Data From Materials Project: {formula:Ba2Ta6Te2O21,spaceGroup:C2/m,id:mp-6238} |
| RD_118078045199_000 | computation | Reference Data From Materials Project: {formula:BaSi2,spaceGroup:Pmnb,id:mp-1477} |
| RD_118209353370_000 | computation | Reference Data From Materials Project: {formula:Ba2UNiO6,spaceGroup:Fm-3m,id:mp-19093} |
| RD_119972095141_000 | computation | Reference Data From Materials Project: {formula:Ba2LaCl7,spaceGroup:P2_1,id:mp-773111} |
| RD_120059662304_000 | computation | Reference Data From Materials Project: {formula:Ba5Sb3,spaceGroup:P6_3/mcm,id:mp-9909} |
| RD_120172216557_000 | computation | Reference Data From Materials Project: {formula:Ba2CdTe3,spaceGroup:Pmnb,id:mp-16904} |
| RD_120883324774_000 | computation | Reference Data From Materials Project: {formula:BaV2CdO7,spaceGroup:Pmcn,id:mp-25791} |
| RD_121163219003_000 | computation | Reference Data From Materials Project: {formula:Ba3LiTi5Nb3O21,spaceGroup:P1,id:mp-686745} |
| RD_121407553996_000 | computation | Reference Data From Materials Project: {formula:Ba10Al3Ge7,spaceGroup:P6_3/mcm,id:mp-27568} |
| RD_121685491674_000 | computation | Reference Data From Materials Project: {formula:BaLiH3,spaceGroup:Pm-3m,id:mp-23818} |
| RD_121909440788_000 | computation | Reference Data From Materials Project: {formula:Ba3SrTa2O9,spaceGroup:P6_3/m,id:mp-540950} |
| RD_122369185781_000 | computation | Reference Data From Materials Project: {formula:Ba3YI9,spaceGroup:Pc,id:mp-772018} |
| RD_122442571427_000 | computation | Reference Data From Materials Project: {formula:Ba2Tm2Al3Si5N11O3,spaceGroup:P3m1,id:mp-684728} |
| RD_122458737837_000 | computation | Reference Data From Materials Project: {formula:BaBe2Si2O7,spaceGroup:Pbnm,id:mp-6383} |
| RD_122540772876_000 | computation | Reference Data From Materials Project: {formula:BaNd2(MoO4)4,spaceGroup:C2/c,id:mp-622521} |
| RD_122678190142_000 | computation | Reference Data From Materials Project: {formula:Ba5Al5Sn,spaceGroup:P-6m2,id:mp-570677} |
| RD_123001795172_000 | computation | Reference Data From Materials Project: {formula:Ba2CoO4,spaceGroup:Pmnb,id:mp-19602} |
| RD_123118465035_000 | computation | Reference Data From Materials Project: {formula:Ba9Cu7Cl2O15,spaceGroup:P6/mmm,id:mp-559813} |
| RD_123155353284_000 | computation | Reference Data From Materials Project: {formula:BaAsPd,spaceGroup:P-6m2,id:mp-9744} |
| RD_123881575765_000 | computation | Reference Data From Materials Project: {formula:BaHgO2,spaceGroup:P6_322,id:mp-556118} |
| RD_124096608130_000 | computation | Reference Data From Materials Project: {formula:Ba2Nd7Si11N23,spaceGroup:Cmmm,id:mp-567918} |
| RD_124147375387_000 | computation | Reference Data From Materials Project: {formula:Ba(LaI4)2,spaceGroup:C2/m,id:mp-754198} |
| RD_124312585268_000 | computation | Reference Data From Materials Project: {formula:Ba6Li2Ti16O39,spaceGroup:C2/m,id:mp-775484} |
| RD_124425935384_000 | computation | Reference Data From Materials Project: {formula:Ba(Fe2O3)9,spaceGroup:P6_3/mmc,id:mp-582518} |
| RD_124450715752_000 | computation | Reference Data From Materials Project: {formula:BaBiO3,spaceGroup:C2/m,id:mp-22942} |
| RD_125426791868_000 | computation | Reference Data From Materials Project: {formula:BaCaI4,spaceGroup:Imcm,id:mp-753486} |
| RD_125464751544_000 | computation | Reference Data From Materials Project: {formula:BaAlSi,spaceGroup:P-6m2,id:mp-13149} |
| RD_125668597292_000 | computation | Reference Data From Materials Project: {formula:BaCeC2O6F,spaceGroup:P-3c1,id:mp-559451} |
| RD_125728983913_000 | computation | Reference Data From Materials Project: {formula:Ba2Ti(SiO4)2,spaceGroup:P4bm,id:mp-6081} |
| RD_126160115587_000 | computation | Reference Data From Materials Project: {formula:BaVS3,spaceGroup:Cm,id:mp-542818} |
| RD_126492413187_000 | computation | Reference Data From Materials Project: {formula:Ba2CoSi2O7,spaceGroup:P-42_1m,id:mp-542209} |
| RD_126540524797_000 | computation | Reference Data From Materials Project: {formula:EuBaFe2O5,spaceGroup:P4mm,id:mp-639347} |
| RD_127090175499_000 | computation | Reference Data From Materials Project: {formula:Ba2CaWO6,spaceGroup:I4/m,id:mp-19182} |
| RD_127232371846_000 | computation | Reference Data From Materials Project: {formula:Ba3(BrO)2,spaceGroup:Pnma,id:mp-779533} |
| RD_127275295310_000 | computation | Reference Data From Materials Project: {formula:Ba2CaTeO6,spaceGroup:Fm-3m,id:mp-550685} |
| RD_127988882174_000 | computation | Reference Data From Materials Project: {formula:Ba(ZnSb)2,spaceGroup:Pmnb,id:mp-14207} |
| RD_128074276467_000 | computation | Reference Data From Materials Project: {formula:Ba(GeAs)2,spaceGroup:P4_2mc,id:mp-27810} |
| RD_128253622628_000 | computation | Reference Data From Materials Project: {formula:Ba2NdNbO6,spaceGroup:Fm-3m,id:mp-12637} |
| RD_128355555437_000 | computation | Reference Data From Materials Project: {formula:Ba7Ir6O19,spaceGroup:C2/m,id:mp-28867} |
| RD_129531595293_000 | computation | Reference Data From Materials Project: {formula:Ba14Na14CaN6,spaceGroup:Fm-3m,id:mp-6645} |
| RD_129619938001_000 | computation | Reference Data From Materials Project: {formula:Ba2UMnO6,spaceGroup:Fm-3m,id:mp-25003} |
| RD_130064888003_000 | computation | Reference Data From Materials Project: {formula:BaTlVO4,spaceGroup:Pmnb,id:mp-561195} |
| RD_130151127329_000 | computation | Reference Data From Materials Project: {formula:Ba2As2S5,spaceGroup:Pc2_1b,id:mp-28134} |
| RD_130471769253_000 | computation | Reference Data From Materials Project: {formula:Ba3In2(HO)12,spaceGroup:Ia-3d,id:mp-740719} |
| RD_130655069895_000 | computation | Reference Data From Materials Project: {formula:BaBe13,spaceGroup:Fm-3c,id:mp-30425} |
| RD_130742359603_000 | computation | Reference Data From Materials Project: {formula:Ba2NdNb(CuO4)2,spaceGroup:P4/mmm,id:mp-10062} |
| RD_131011245428_000 | computation | Reference Data From Materials Project: {formula:Ba5Fe4S11,spaceGroup:Pn2_1m,id:mp-618964} |
| RD_131801240578_000 | computation | Reference Data From Materials Project: {formula:BaNdCuBO5,spaceGroup:P4bm,id:mp-10350} |
| RD_132299526169_000 | computation | Reference Data From Materials Project: {formula:BaCeO3,spaceGroup:Imma,id:mp-3316} |
| RD_132488129407_000 | computation | Reference Data From Materials Project: {formula:Ba4GeAs4,spaceGroup:P-43n,id:mp-14002} |
| RD_132772404018_000 | computation | Reference Data From Materials Project: {formula:BaLaI5,spaceGroup:P2_1,id:mp-772114} |
| RD_133212377188_000 | computation | Reference Data From Materials Project: {formula:Yb2BaNiO5,spaceGroup:Pmcn,id:mp-541337} |
| RD_133222372644_000 | computation | Reference Data From Materials Project: {formula:Ba5P3BrO12,spaceGroup:P6_3/m,id:mp-561125} |
| RD_133624905027_000 | computation | Reference Data From Materials Project: {formula:Ba2CuO3,spaceGroup:Immm,id:mp-8790} |
| RD_133795553058_000 | computation | Reference Data From Materials Project: {formula:BaZnGe,spaceGroup:P6_3/mmc,id:mp-11818} |
| RD_134048780194_000 | computation | Reference Data From Materials Project: {formula:Ba(DyTe2)2,spaceGroup:Pmnb,id:mp-17927} |
| RD_134209738949_000 | computation | Reference Data From Materials Project: {formula:BaBOF3,spaceGroup:Pmcn,id:mp-13680} |
| RD_135661944805_000 | computation | Reference Data From Materials Project: {formula:BaV2(CuO4)2,spaceGroup:I-42d,id:mp-567035} |
| RD_135759552405_000 | computation | Reference Data From Materials Project: {formula:Ba2SrTeO6,spaceGroup:R-3,id:mp-13356} |
| RD_135783049336_000 | computation | Reference Data From Materials Project: {formula:Ba3(BrO)2,spaceGroup:P2_1/c,id:mp-752648} |
| RD_135981276064_000 | computation | Reference Data From Materials Project: {formula:Ba(POs)2,spaceGroup:I4/mmm,id:mp-12056} |
| RD_136127879157_000 | computation | Reference Data From Materials Project: {formula:BaMnCO3F2,spaceGroup:P6_3/m,id:mp-19054} |
| RD_136157013065_000 | computation | Reference Data From Materials Project: {formula:Ba(LaS2)2,spaceGroup:I-42d,id:mp-33615} |
| RD_136856226953_000 | computation | Reference Data From Materials Project: {formula:BaZn(SeO3)2,spaceGroup:P2_1/c,id:mp-657353} |
| RD_137152309637_000 | computation | Reference Data From Materials Project: {formula:Ba2Ge,spaceGroup:Pmnb,id:mp-13922} |
| RD_137628389963_000 | computation | Reference Data From Materials Project: {formula:BaSbAu,spaceGroup:P6_3/mmc,id:mp-10769} |
| RD_137637472870_000 | computation | Reference Data From Materials Project: {formula:BaNaFe2F9,spaceGroup:P2_1/c,id:mp-554149} |
| RD_137941827610_000 | computation | Reference Data From Materials Project: {formula:EuBa3Ru2O9,spaceGroup:P6_3/mmc,id:mp-556259} |
| RD_137948563867_000 | computation | Reference Data From Materials Project: {formula:Ba2SnO4,spaceGroup:I4/mmm,id:mp-3359} |
| RD_138224667903_000 | computation | Reference Data From Materials Project: {formula:Ba3LiTi5Nb3O21,spaceGroup:Ccm2_1,id:mp-766208} |
| RD_138226951929_000 | computation | Reference Data From Materials Project: {formula:Ba5(FeS2)9,spaceGroup:P4/ncc,id:mp-583509} |
| RD_138550674778_000 | computation | Reference Data From Materials Project: {formula:BaNa2Al4(SiO4)4,spaceGroup:Cc,id:mp-686310} |
| RD_138943885110_000 | computation | Reference Data From Materials Project: {formula:Ba3LiIr2O9,spaceGroup:P6_3/mmc,id:mp-554837} |
| RD_139411697371_000 | computation | Reference Data From Materials Project: {formula:Ba(Ge3Pt)4,spaceGroup:Im3,id:mp-642304} |
| RD_140099620028_000 | computation | Reference Data From Materials Project: {formula:BaTiO3,spaceGroup:Cm2m,id:mp-644497} |
| RD_140289425659_000 | computation | Reference Data From Materials Project: {formula:BaSrI4,spaceGroup:Pna2_1,id:mp-752514} |
| RD_140492310443_000 | computation | Reference Data From Materials Project: {formula:Ba5Mg18Si13,spaceGroup:P-62m,id:mp-5080} |
| RD_140718672664_000 | computation | Reference Data From Materials Project: {formula:Ba2TiOF6,spaceGroup:Cc,id:mp-561256} |
| RD_140783592074_000 | computation | Reference Data From Materials Project: {formula:Yb8Ba5Zn4O21,spaceGroup:I4/m,id:mp-18204} |
| RD_141702689982_000 | computation | Reference Data From Materials Project: {formula:BaVS3,spaceGroup:P6_3/mmc,id:mp-4227} |
| RD_142388559483_000 | computation | Reference Data From Materials Project: {formula:Ba2Ga2O5,spaceGroup:P4/mmm,id:mp-862682} |
| RD_142892083145_000 | computation | Reference Data From Materials Project: {formula:Ba2VP2O11,spaceGroup:P2_1,id:mp-863298} |
| RD_143218467263_000 | computation | Reference Data From Materials Project: {formula:BaZnGe,spaceGroup:P6_3/mmc,id:mp-11818} |
| RD_144254522826_000 | computation | Reference Data From Materials Project: {formula:BaNd2Ti3O10,spaceGroup:Ccmm,id:mp-6622} |
| RD_144265673995_000 | computation | Reference Data From Materials Project: {formula:Ba(PN2)2,spaceGroup:Pa3,id:mp-2983} |
| RD_144439290504_000 | computation | Reference Data From Materials Project: {formula:BaMgGe,spaceGroup:P4/nmm,id:mp-754515} |
| RD_144842389812_000 | computation | Reference Data From Materials Project: {formula:Ba13Ru10BrO36,spaceGroup:C2/m,id:mp-695535} |
| RD_145048178755_000 | computation | Reference Data From Materials Project: {formula:Ba3NaOs2O9,spaceGroup:P6_3/mmc,id:mp-542208} |
| RD_145168500911_000 | computation | Reference Data From Materials Project: {formula:BaTi2O5,spaceGroup:Pmnb,id:mp-558159} |
| RD_145636243914_000 | computation | Reference Data From Materials Project: {formula:BaTe,spaceGroup:Fm-3m,id:mp-1000} |
| RD_145763805867_000 | computation | Reference Data From Materials Project: {formula:KBa2As5,spaceGroup:Cm,id:mp-675063} |
| RD_146097434065_000 | computation | Reference Data From Materials Project: {formula:BaNd2ZnS5,spaceGroup:I4/mcm,id:mp-16455} |
| RD_146300025322_000 | computation | Reference Data From Materials Project: {formula:BaScIr,spaceGroup:F-43m,id:mp-631492} |
| RD_147038185603_000 | computation | Reference Data From Materials Project: {formula:Ba(AlCl4)2,spaceGroup:P2/c,id:mp-30023} |
| RD_147053299533_000 | computation | Reference Data From Materials Project: {formula:Ba2TaCrO6,spaceGroup:P6_3/mmc,id:mp-31630} |
| RD_148311017751_000 | computation | Reference Data From Materials Project: {formula:Ba3NbFe3(SiO7)2,spaceGroup:P321,id:mp-565953} |
| RD_148418696913_000 | computation | Reference Data From Materials Project: {formula:BaAl4S7,spaceGroup:P2_1nm,id:mp-8258} |
| RD_148520034859_000 | computation | Reference Data From Materials Project: {formula:Ba8Fe8O21,spaceGroup:P-1,id:mp-761960} |
| RD_148818153417_000 | computation | Reference Data From Materials Project: {formula:Ba(MgPb)2,spaceGroup:P4/nmm,id:mp-20452} |
| RD_149129182148_000 | computation | Reference Data From Materials Project: {formula:BaHg,spaceGroup:Pm-3m,id:mp-2197} |
| RD_149604560534_000 | computation | Reference Data From Materials Project: {formula:BaDyCo4O7,spaceGroup:P6_3mc,id:mp-18804} |
| RD_149691298254_000 | computation | Reference Data From Materials Project: {formula:Ba4Bi3,spaceGroup:I-43d,id:mp-30892} |
| RD_149921704575_000 | computation | Reference Data From Materials Project: {formula:Ba2HgPb,spaceGroup:Fm-3m,id:mp-866106} |
| RD_150058335181_000 | computation | Reference Data From Materials Project: {formula:BaCaCo4O7,spaceGroup:Pc2_1n,id:mp-604812} |
| RD_150092794716_000 | computation | Reference Data From Materials Project: {formula:Ba5Ru2O11,spaceGroup:C2/c,id:mp-867790} |
| RD_150093999004_000 | computation | Reference Data From Materials Project: {formula:Ba(GaSb)2,spaceGroup:Pmcn,id:mp-29938} |
| RD_150166061359_000 | computation | Reference Data From Materials Project: {formula:Ba2Ni(PO4)2,spaceGroup:P2_1/c,id:mp-19491} |
| RD_150473509453_000 | computation | Reference Data From Materials Project: {formula:Ba5(TiN3)2,spaceGroup:P-1,id:mp-28926} |
| RD_150506431202_000 | computation | Reference Data From Materials Project: {formula:BaPrO3,spaceGroup:Pm-3m,id:mp-4783} |
| RD_150947140005_000 | computation | Ba in AFLOW crystal prototype A_cI2_229_a (Body-Centered Cubic). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_151395013046_000 | computation | Reference Data From Materials Project: {formula:BaTiS3,spaceGroup:P6_3/mmc,id:mp-7073} |
| RD_151420957852_000 | computation | Reference Data From Materials Project: {formula:BaCaV2O7,spaceGroup:Pmcn,id:mp-19484} |
| RD_151694549373_000 | computation | Reference Data From Materials Project: {formula:Ba3MgNb2O9,spaceGroup:P-3m1,id:mp-6474} |
| RD_152110029477_000 | computation | Reference Data From Materials Project: {formula:BaSm2PtO5,spaceGroup:P4/mbm,id:mp-9757} |
| RD_152234912321_000 | computation | Reference Data From Materials Project: {formula:Ba4TlBiPb2O9,spaceGroup:Pbmb,id:mp-684884} |
| RD_152277704534_000 | computation | Reference Data From Materials Project: {formula:BaV6O11,spaceGroup:P6_3/mmc,id:mp-18891} |
| RD_152374060823_000 | computation | Reference Data From Materials Project: {formula:Ba3CaRu2O9,spaceGroup:P-3m1,id:mp-12832} |
| RD_152920058562_000 | computation | Reference Data From Materials Project: {formula:Ba3YIr2O9,spaceGroup:P6_3/mmc,id:mp-540691} |
| RD_153394401620_000 | computation | Reference Data From Materials Project: {formula:Ba2CaP4(H3O8)2,spaceGroup:P2_1/c,id:mp-758007} |
| RD_153627382512_000 | computation | Reference Data From Materials Project: {formula:BaNa2Nd2Si4CO15,spaceGroup:Pcmn,id:mp-559586} |
| RD_153686736588_000 | computation | Reference Data From Materials Project: {formula:Yb4Ba3O9,spaceGroup:R3,id:mp-8261} |
| RD_153803829245_000 | computation | Reference Data From Materials Project: {formula:Ba,spaceGroup:Im-3m,id:mp-122} |
| RD_154099312522_000 | computation | Reference Data From Materials Project: {formula:Ba2Mn2Si2O9,spaceGroup:Pbca,id:mp-580450} |
| RD_154289414398_000 | computation | Reference Data From Materials Project: {formula:Ba2MnWO6,spaceGroup:Fm-3m,id:mp-19085} |
| RD_154862494747_000 | computation | Reference Data From Materials Project: {formula:Ba(BRh)2,spaceGroup:I4/mmm,id:mp-7349} |
| RD_155329399581_000 | computation | Reference Data From Materials Project: {formula:BaCaSi,spaceGroup:Pmnb,id:mp-16253} |
| RD_155376663994_000 | computation | Reference Data From Materials Project: {formula:BaSeO4,spaceGroup:Pmcn,id:mp-12010} |
| RD_156388841121_000 | computation | Reference Data From Materials Project: {formula:BaNd2Mn2O7,spaceGroup:I4/mmm,id:mp-18861} |
| RD_156422898080_000 | computation | Reference Data From Materials Project: {formula:BaAgTeF,spaceGroup:P4/nmm,id:mp-16742} |
| RD_156775394955_000 | computation | Reference Data From Materials Project: {formula:BaCa2I6,spaceGroup:P321,id:mp-766313} |
| RD_156980914442_000 | computation | Reference Data From Materials Project: {formula:Ba5Na2Ru3O14,spaceGroup:Cmc2_1,id:mp-683887} |
| RD_157296504454_000 | computation | Reference Data From Materials Project: {formula:Ba(YTe2)2,spaceGroup:Pmnb,id:mp-17872} |
| RD_157643109546_000 | computation | Reference Data From Materials Project: {formula:Ba2Cd,spaceGroup:I4/mmm,id:mp-8093} |
| RD_157702426696_000 | computation | Reference Data From Materials Project: {formula:BaNiSn3,spaceGroup:I4mm,id:mp-11879} |
| RD_157804310538_000 | computation | Reference Data From Materials Project: {formula:Ba2PtAu,spaceGroup:Pcm2_1,id:mp-675690} |
| RD_158001782584_000 | computation | Reference Data From Materials Project: {formula:BaPr2CuO5,spaceGroup:P4/mbm,id:mp-20212} |
| RD_158089932664_000 | computation | Reference Data From Materials Project: {formula:Ba3Ho(BO3)3,spaceGroup:P6_3cm,id:mp-14384} |
| RD_158254854729_000 | computation | Reference Data From Materials Project: {formula:Ba2ScCl7,spaceGroup:P2_1,id:mp-573888} |
| RD_158525998518_000 | computation | Reference Data From Materials Project: {formula:BaCuTeF,spaceGroup:P4/nmm,id:mp-13287} |
| RD_159043125544_000 | computation | Reference Data From Materials Project: {formula:Ba4Cl6O,spaceGroup:P6_3mc,id:mp-23063} |
| RD_159503882837_000 | computation | Reference Data From Materials Project: {formula:Ba9(LaS6)2,spaceGroup:C2/m,id:mp-675219} |
| RD_159613877493_000 | computation | Reference Data From Materials Project: {formula:Ba4NaMn2O9,spaceGroup:P321,id:mp-566600} |
| RD_159807672368_000 | computation | Reference Data From Materials Project: {formula:Ba(BrO3)2,spaceGroup:F2dd,id:mp-28514} |
| RD_159977772941_000 | computation | Reference Data From Materials Project: {formula:KBa4Sb3O,spaceGroup:I4/mcm,id:mp-557761} |
| RD_160011695034_000 | computation | Reference Data From Materials Project: {formula:K4Ba(SiO3)3,spaceGroup:C2cm,id:mp-558347} |
| RD_160105960855_000 | computation | Reference Data From Materials Project: {formula:Ba3Sc(BO2)9,spaceGroup:P6_3/m,id:mp-557994} |
| RD_160797950266_000 | computation | Reference Data From Materials Project: {formula:Ba3Sc(BO2)9,spaceGroup:P6_3/m,id:mp-557994} |
| RD_161323179354_000 | computation | Reference Data From Materials Project: {formula:Ba3SrNb2O9,spaceGroup:P6_3/m,id:mp-540949} |
| RD_161389740430_000 | computation | Reference Data From Materials Project: {formula:Ba2CoF6,spaceGroup:I4/mmm,id:mp-555307} |
| RD_161549011015_000 | computation | Reference Data From Materials Project: {formula:Ba10V10O29,spaceGroup:P1,id:mp-766994} |
| RD_161745298255_000 | computation | Reference Data From Materials Project: {formula:KBaFe2(PO4)3,spaceGroup:P2_13,id:mp-743573} |
| RD_161960055977_000 | computation | Reference Data From Materials Project: {formula:TbBa4(RuO4)3,spaceGroup:R-3m,id:mp-6049} |
| RD_162445500800_000 | computation | Reference Data From Materials Project: {formula:BaFe(Si2O5)2,spaceGroup:P2_12_12,id:mp-504885} |
| RD_162573846677_000 | computation | Reference Data From Materials Project: {formula:Ba2DyReO6,spaceGroup:Fm-3m,id:mp-13932} |
| RD_162621446429_000 | computation | Reference Data From Materials Project: {formula:BaCo2P2H2O9,spaceGroup:C2,id:mp-644003} |
| RD_162807686718_000 | computation | Reference Data From Materials Project: {formula:BaY2Si3O10,spaceGroup:P2_1/m,id:mp-560478} |
| RD_162952110752_000 | computation | Reference Data From Materials Project: {formula:Ba6Fe8S15,spaceGroup:I4/m,id:mp-27489} |
| RD_162977291704_000 | computation | Reference Data From Materials Project: {formula:Ba4AgAuO6,spaceGroup:Ccmm,id:mp-556896} |
| RD_163631346342_000 | computation | Reference Data From Materials Project: {formula:BaAu5,spaceGroup:P6/mmm,id:mp-30364} |
| RD_163681961781_000 | computation | Reference Data From Materials Project: {formula:Ba,spaceGroup:P6_3/mmc,id:mp-56} |
| RD_164079023361_000 | computation | Reference Data From Materials Project: {formula:Ba2Tm2Al3Si5N11O3,spaceGroup:P3m1,id:mp-684728} |
| RD_164152786693_000 | computation | Reference Data From Materials Project: {formula:BaNi9As5,spaceGroup:P6_3/mmc,id:mp-540991} |
| RD_164173007101_000 | computation | Reference Data From Materials Project: {formula:Ba(RuO2)6,spaceGroup:P4/n,id:mp-561944} |
| RD_164173844070_000 | computation | Reference Data From Materials Project: {formula:Ba2MnWO6,spaceGroup:Fm-3m,id:mp-19085} |