An item of "reference data" is an experimental result or a high-accuracy computation (such as using density functional theory (DFT)) for a material property defined in OpenKIM for a particular system (e.g. the {111} surface energy of fcc Cu). Click for more information.
Choose from the tab above to sort the models in different ways.
| Reference Data | Data Method | Description |
|---|---|---|
| RD_593077048366_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_593219343873_000 | computation | Reference Data From Materials Project: {formula:B5H11,spaceGroup:P2_1/c,id:mp-30529} |
| RD_594005060067_000 | computation | Reference Data From Materials Project: {formula:FeBN3O3F4,spaceGroup:P2_1/c,id:mp-631397} |
| RD_594586606994_000 | computation | Reference Data From Materials Project: {formula:Ba7SiB3NO13,spaceGroup:P6_3,id:mp-695708} |
| RD_594739439461_000 | computation | Reference Data From Materials Project: {formula:KB3O5,spaceGroup:P2_1/c,id:mp-559636} |
| RD_594924895454_000 | computation | Reference Data From Materials Project: {formula:NaNiBO3,spaceGroup:C2/c,id:mp-775986} |
| RD_595271279821_000 | computation | Reference Data From Materials Project: {formula:MgBIr,spaceGroup:P6_222,id:mp-569048} |
| RD_595584981320_000 | computation | Reference Data From Materials Project: {formula:SmB2Rh3,spaceGroup:P6/mmm,id:mp-2947} |
| RD_595789673891_000 | computation | Reference Data From Materials Project: {formula:Lu3Ni7B2,spaceGroup:P6_3/mmc,id:mp-865190} |
| RD_596083505340_000 | computation | Reference Data From Materials Project: {formula:BaNa(B3O5)3,spaceGroup:R3c,id:mp-17864} |
| RD_596207701729_000 | computation | Reference Data From Materials Project: {formula:Li3Bi(BO3)2,spaceGroup:P2_1/c,id:mp-768809} |
| RD_596247885984_000 | computation | Reference Data From Materials Project: {formula:RbVBP2HO9,spaceGroup:P2_1/c,id:mp-767613} |
| RD_596289973122_000 | computation | Reference Data From Materials Project: {formula:ErBO3,spaceGroup:C2cm,id:mp-760405} |
| RD_596297249560_000 | computation | Reference Data From Materials Project: {formula:Li3V(BO3)2,spaceGroup:P2_1/c,id:mp-770343} |
| RD_596408266355_000 | computation | Reference Data From Materials Project: {formula:LuB2,spaceGroup:P6/mmm,id:mp-11219} |
| RD_598038472755_000 | computation | Reference Data From Materials Project: {formula:B4CCl6O,spaceGroup:R3m,id:mp-545479} |
| RD_598221946266_000 | computation | Reference Data From Materials Project: {formula:TiB2,spaceGroup:P6/mmm,id:mp-1145} |
| RD_598326522531_000 | computation | BN in AFLOW crystal prototype AB_mC16_8_4a_4a. 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_598594937374_000 | computation | Reference Data From Materials Project: {formula:Ca2Ga2Bi(B2O7)2,spaceGroup:C2,id:mp-695449} |
| RD_599009216647_000 | computation | Reference Data From Materials Project: {formula:Na6Bi2B4PO16,spaceGroup:Fd3,id:mp-780229} |
| RD_599144826445_000 | computation | Reference Data From Materials Project: {formula:Sr2LiSc(B2O5)2,spaceGroup:P2_1/c,id:mp-8796} |
| RD_599433160633_000 | computation | Reference Data From Materials Project: {formula:BPPbO5,spaceGroup:P3_121,id:mp-21266} |
| RD_600215640742_000 | computation | Reference Data From Materials Project: {formula:Na6Bi2B4AsO16,spaceGroup:Fd3,id:mp-780412} |
| RD_600811367086_000 | computation | Reference Data From Materials Project: {formula:AgB2,spaceGroup:P6/mmm,id:mp-12062} |
| RD_601230864784_000 | computation | Reference Data From Materials Project: {formula:LiBH4,spaceGroup:P6_3mc,id:mp-644223} |
| RD_601374554242_000 | computation | Reference Data From Materials Project: {formula:Li7Mn8(BO3)8,spaceGroup:P1,id:mp-779028} |
| RD_601941049799_000 | computation | Reference Data From Materials Project: {formula:Na3Co(BO3)2,spaceGroup:P2_1/c,id:mp-773604} |
| RD_602022895107_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-778856} |
| RD_602230476153_000 | computation | Reference Data From Materials Project: {formula:Na6V2B4PO16,spaceGroup:Fd3,id:mp-851006} |
| RD_602310195630_000 | computation | Reference Data From Materials Project: {formula:NdB2Rh3,spaceGroup:P6/mmm,id:mp-3055} |
| RD_602335194882_000 | computation | Reference Data From Materials Project: {formula:Cs3B6H12S4Br,spaceGroup:P6_3mc,id:mp-695929} |
| RD_602341460918_000 | computation | Reference Data From Materials Project: {formula:ScBO3,spaceGroup:R-3c,id:mp-8697} |
| RD_602542849137_000 | computation | Reference Data From Materials Project: {formula:Zr2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-5172} |
| RD_602777547417_000 | computation | Reference Data From Materials Project: {formula:Li2V(BO2)5,spaceGroup:P2_1/c,id:mp-772429} |
| RD_602846629036_000 | computation | Reference Data From Materials Project: {formula:B4H5,spaceGroup:P2_1/c,id:mp-27798} |
| RD_602907750919_000 | computation | Reference Data From Materials Project: {formula:Sr(BIr)2,spaceGroup:Fddd,id:mp-6939} |
| RD_604043611887_000 | computation | Reference Data From Materials Project: {formula:Li3V3(BO5)2,spaceGroup:P2_1,id:mp-770155} |
| RD_604078207665_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-779805} |
| RD_604233698197_000 | computation | Reference Data From Materials Project: {formula:KBaB5O9,spaceGroup:P2_1/c,id:mp-557420} |
| RD_604663517871_000 | computation | Reference Data From Materials Project: {formula:Li6MnFe5(BO3)6,spaceGroup:Pm,id:mp-779877} |
| RD_604765740490_000 | computation | Reference Data From Materials Project: {formula:Lu(BRu)4,spaceGroup:I4_1/acd,id:mp-568184} |
| RD_604811745693_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-782820} |
| RD_605261668290_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Cm,id:mp-849413} |
| RD_605707882724_000 | computation | Reference Data From Materials Project: {formula:Bi2B2O7,spaceGroup:P-1,id:mp-768989} |
| RD_605732218190_000 | computation | Reference Data From Materials Project: {formula:KB5O8,spaceGroup:Pbca,id:mp-667471} |
| RD_605794025797_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P-1,id:mp-780816} |
| RD_605831246882_000 | computation | Reference Data From Materials Project: {formula:CeSiBO5,spaceGroup:P3_1,id:mp-22225} |
| RD_605928096886_000 | computation | Reference Data From Materials Project: {formula:Li3V(BO2)5,spaceGroup:P-1,id:mp-770344} |
| RD_605973683428_000 | computation | Reference Data From Materials Project: {formula:Ca2B5H2ClO10,spaceGroup:P1,id:mp-721300} |
| RD_606050262492_000 | computation | Reference Data From Materials Project: {formula:Cs3BP2,spaceGroup:C2/c,id:mp-9675} |
| RD_606532016670_000 | computation | Reference Data From Materials Project: {formula:Na2B8O13,spaceGroup:P2_1/c,id:mp-542300} |
| RD_606611598212_000 | computation | Reference Data From Materials Project: {formula:ThB2Ir3,spaceGroup:P6/mmm,id:mp-10115} |
| RD_606877349017_000 | computation | Reference Data From Materials Project: {formula:K(BH)3,spaceGroup:Fm-3m,id:mp-23950} |
| RD_606970128662_000 | computation | Reference Data From Materials Project: {formula:TlBTe2,spaceGroup:F-43m,id:mp-631520} |
| RD_607835129960_000 | computation | Reference Data From Materials Project: {formula:Na3GaB4O9,spaceGroup:P2_1/m,id:mp-766463} |
| RD_608493668197_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_609314937447_000 | computation | Reference Data From Materials Project: {formula:Mg3B(HO2)3,spaceGroup:P6_3/m,id:mp-554719} |
| RD_609880468992_000 | computation | Reference Data From Materials Project: {formula:LiBPt3,spaceGroup:P-62m,id:mp-28613} |
| RD_610187908146_000 | computation | Reference Data From Materials Project: {formula:ZrFe12Si2B,spaceGroup:I-43m,id:mp-667335} |
| RD_611299093498_000 | computation | Reference Data From Materials Project: {formula:Ti5(B6O13)2,spaceGroup:I4_1/acd,id:mp-684065} |
| RD_611576207980_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-849566} |
| RD_611580507258_000 | computation | Reference Data From Materials Project: {formula:GdB2Rh3,spaceGroup:P6/mmm,id:mp-22117} |
| RD_612029222599_000 | computation | Reference Data From Materials Project: {formula:Ho(BO2)3,spaceGroup:Pmcn,id:mp-680713} |
| RD_612216760688_000 | computation | Reference Data From Materials Project: {formula:Dy3Ni7B2,spaceGroup:P6_3/mmc,id:mp-18399} |
| RD_612530294283_000 | computation | Reference Data From Materials Project: {formula:ZnBSe2,spaceGroup:F-43m,id:mp-631528} |
| RD_612830342432_000 | computation | Reference Data From Materials Project: {formula:Co21(B3Mo)2,spaceGroup:Fm-3m,id:mp-542728} |
| RD_612950930428_000 | computation | Reference Data From Materials Project: {formula:Ce(BIr)2,spaceGroup:Fddd,id:mp-8680} |
| RD_613204680760_000 | computation | Reference Data From Materials Project: {formula:YB4Rh,spaceGroup:Pmcb,id:mp-13341} |
| RD_613453372623_000 | computation | Reference Data From Materials Project: {formula:LiBBr2,spaceGroup:F-43m,id:mp-631545} |
| RD_613718799080_000 | computation | Reference Data From Materials Project: {formula:Li2MnBAsO7,spaceGroup:P2_1/m,id:mp-772692} |
| RD_613854019991_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-774421} |
| RD_613869436433_000 | computation | Reference Data From Materials Project: {formula:EuBRh3,spaceGroup:Pm-3m,id:mp-510377} |
| RD_613980064020_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-764459} |
| RD_614048535847_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-850745} |
| RD_614360677324_000 | computation | Reference Data From Materials Project: {formula:Er4NiB13,spaceGroup:P4/mnc,id:mp-504627} |
| RD_614416395905_000 | computation | Reference Data From Materials Project: {formula:Li5Zn4(BO3)4,spaceGroup:P1,id:mp-756306} |
| RD_614572804323_000 | computation | BC in AFLOW crystal prototype AB5_hP6_156_a_a2b2c. 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_615070093732_000 | computation | Reference Data From Materials Project: {formula:Tb16B4Br23,spaceGroup:C2/m,id:mp-29954} |
| RD_615270039506_000 | computation | Reference Data From Materials Project: {formula:TmBPd3,spaceGroup:Pm-3m,id:mp-10134} |
| RD_615481562796_000 | computation | Reference Data From Materials Project: {formula:YbCo3B2,spaceGroup:P6/mmm,id:mp-10058} |
| RD_615483739073_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3(BO3)4,spaceGroup:Pc,id:mp-767639} |
| RD_615590219629_000 | computation | Reference Data From Materials Project: {formula:Ba(BIr)2,spaceGroup:I4/mmm,id:mp-12073} |
| RD_615826643535_000 | computation | Reference Data From Materials Project: {formula:LiFeBO3,spaceGroup:P-6,id:mp-769825} |
| RD_616088386304_000 | computation | Reference Data From Materials Project: {formula:BSF7,spaceGroup:Pmcn,id:mp-27349} |
| RD_616211677238_000 | computation | Reference Data From Materials Project: {formula:Li7Mn8(BO3)8,spaceGroup:P1,id:mp-779356} |
| RD_616764341206_000 | computation | Reference Data From Materials Project: {formula:Co3B7BrO13,spaceGroup:Pca2_1,id:mp-654358} |
| RD_616825414262_000 | computation | Reference Data From Materials Project: {formula:ErNiB4,spaceGroup:I4/mmm,id:mp-27895} |
| RD_617071319613_000 | computation | Reference Data From Materials Project: {formula:RbB3Te2O9,spaceGroup:P2/c,id:mp-769383} |
| RD_617351519144_000 | computation | Reference Data From Materials Project: {formula:Ca2BHN2,spaceGroup:Pmnb,id:mp-24266} |
| RD_617418086470_000 | computation | Reference Data From Materials Project: {formula:NiB,spaceGroup:Ccmm,id:mp-14019} |
| RD_618837538769_000 | computation | Reference Data From Materials Project: {formula:NaSiBO4,spaceGroup:P6_3,id:mp-556740} |
| RD_619106361170_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:Pc,id:mp-764451} |
| RD_619237558222_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-778754} |
| RD_619342598267_000 | computation | Reference Data From Materials Project: {formula:Li2VBO4,spaceGroup:Pmnb,id:mp-770346} |
| RD_619539038670_000 | computation | Reference Data From Materials Project: {formula:CeB6,spaceGroup:Pm-3m,id:mp-21343} |
| RD_620784609776_000 | computation | Reference Data From Materials Project: {formula:Sm(CoB)2,spaceGroup:I4/mmm,id:mp-4073} |
| RD_621288793341_000 | computation | Reference Data From Materials Project: {formula:TmB4Rh,spaceGroup:Pmcb,id:mp-13343} |
| RD_621606877888_000 | computation | Reference Data From Materials Project: {formula:Mg2BN2Cl,spaceGroup:Pbca,id:mp-581639} |
| RD_621753790044_000 | computation | Reference Data From Materials Project: {formula:Na3Sc2(BO3)3,spaceGroup:R-3c,id:mp-561018} |
| RD_622050480984_000 | computation | Reference Data From Materials Project: {formula:PrB3,spaceGroup:P6_3/mmc,id:mp-16762} |
| RD_622440833164_000 | computation | Reference Data From Materials Project: {formula:Li3MnFe2(BO3)3,spaceGroup:Pm,id:mp-779955} |
| RD_622554925160_000 | computation | Reference Data From Materials Project: {formula:BiBCl,spaceGroup:F-43m,id:mp-631539} |
| RD_622555573274_000 | computation | Reference Data From Materials Project: {formula:AgB11H6CBr6,spaceGroup:Pnma,id:mp-703539} |
| RD_622697303496_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-850771} |
| RD_623167387309_000 | computation | Reference Data From Materials Project: {formula:KBIr2,spaceGroup:Fm-3m,id:mp-631536} |
| RD_623189846120_000 | computation | Reference Data From Materials Project: {formula:LiB3O5,spaceGroup:P2_1cn,id:mp-3660} |
| RD_623464586045_000 | computation | Reference Data From Materials Project: {formula:CrB3(HO3)3,spaceGroup:Pbcn,id:mp-780501} |
| RD_623648066352_000 | computation | Reference Data From Materials Project: {formula:RbAlBP2HO9,spaceGroup:P2_1/c,id:mp-542130} |
| RD_623655801962_000 | computation | Reference Data From Materials Project: {formula:ScB4Ir3,spaceGroup:P6_3/m,id:mp-10114} |
| RD_623788165056_000 | computation | Reference Data From Materials Project: {formula:Li3FeBPO7,spaceGroup:P2_1/m,id:mp-771744} |
| RD_624185352136_000 | computation | Reference Data From Materials Project: {formula:NaB5(H2O5)2,spaceGroup:P2_1/c,id:mp-721294} |
| RD_624229047032_000 | computation | Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:C2/c,id:mp-768665} |
| RD_624414546295_000 | computation | Reference Data From Materials Project: {formula:Dy3Co11B4,spaceGroup:P6/mmm,id:mp-30907} |
| RD_624911246929_000 | computation | Reference Data From Materials Project: {formula:Sr2LiIn(B2O5)2,spaceGroup:P2_1/c,id:mp-14854} |
| RD_625076112990_000 | computation | Reference Data From Materials Project: {formula:La3B2N5,spaceGroup:P2_1/c,id:mp-29990} |
| RD_625319715926_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-778892} |
| RD_625581516856_000 | computation | Reference Data From Materials Project: {formula:Na3B5SO8,spaceGroup:P2_1/c,id:mp-560266} |
| RD_626582708183_000 | computation | Reference Data From Materials Project: {formula:Li2MnBPO7,spaceGroup:P2_1/m,id:mp-772263} |
| RD_626764032987_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:Pc,id:mp-775269} |
| RD_626917971127_000 | computation | Reference Data From Materials Project: {formula:Li3Fe(BO3)2,spaceGroup:P2_1/c,id:mp-771407} |
| RD_627424254170_000 | computation | Reference Data From Materials Project: {formula:Pr(BC)2,spaceGroup:P4/mbm,id:mp-10853} |
| RD_627820864139_000 | computation | Reference Data From Materials Project: {formula:ZnB4O7,spaceGroup:Pbca,id:mp-12233} |
| RD_627988977211_000 | computation | Reference Data From Materials Project: {formula:Th3B2C3,spaceGroup:P2/m,id:mp-3182} |
| RD_628557498732_000 | computation | Reference Data From Materials Project: {formula:Li2Ti(BO3)2,spaceGroup:P1,id:mp-770749} |
| RD_628856690324_000 | computation | Reference Data From Materials Project: {formula:B,spaceGroup:R-3m,id:mp-161} |
| RD_629017040485_000 | computation | Reference Data From Materials Project: {formula:SmMnB4,spaceGroup:Pmcb,id:mp-22785} |
| RD_629410327813_000 | computation | Reference Data From Materials Project: {formula:ScCo3B2,spaceGroup:P6/mmm,id:mp-4938} |
| RD_629884554554_000 | computation | Reference Data From Materials Project: {formula:Bi2B2O7,spaceGroup:P-1,id:mp-753903} |
| RD_629987625351_000 | computation | Reference Data From Materials Project: {formula:BH3OF4,spaceGroup:P-1,id:mp-696379} |
| RD_630244229933_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-850244} |
| RD_630293411650_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3/mmc,id:mp-601223} |
| RD_630323905214_000 | computation | Reference Data From Materials Project: {formula:HoNi2B2C,spaceGroup:I4/mmm,id:mp-6646} |
| RD_630509913451_000 | computation | Reference Data From Materials Project: {formula:Ca2Al2FeSi4BHO16,spaceGroup:P-1,id:mp-540713} |
| RD_630600926813_000 | computation | Reference Data From Materials Project: {formula:ZnBP2H4NO8,spaceGroup:P-1,id:mp-24657} |
| RD_630662499527_000 | computation | Reference Data From Materials Project: {formula:GdMg(BO2)5,spaceGroup:P2_1/c,id:mp-556905} |
| RD_630893757615_000 | computation | Reference Data From Materials Project: {formula:CsB3O5,spaceGroup:P2_12_12_1,id:mp-3977} |
| RD_631468391858_000 | computation | Reference Data From Materials Project: {formula:Na2Tl2B10O17,spaceGroup:C2/c,id:mp-554657} |
| RD_631708797003_000 | computation | Reference Data From Materials Project: {formula:SiBPb,spaceGroup:F-43m,id:mp-631526} |
| RD_632119615552_000 | computation | Reference Data From Materials Project: {formula:LiB3H18N5,spaceGroup:P2_1/c,id:mp-604486} |
| RD_632771050028_000 | computation | Reference Data From Materials Project: {formula:BP,spaceGroup:F-43m,id:mp-1479} |
| RD_633052786636_000 | computation | Reference Data From Materials Project: {formula:YB2Ir3,spaceGroup:P6/mmm,id:mp-31098} |
| RD_633084328372_000 | computation | Reference Data From Materials Project: {formula:NaSi2BH2O7,spaceGroup:P2_1,id:mp-867930} |
| RD_633802037758_000 | computation | Reference Data From Materials Project: {formula:BaLiBS3,spaceGroup:P2_1/c,id:mp-554076} |
| RD_634178855747_000 | computation | Reference Data From Materials Project: {formula:BeGeB,spaceGroup:F-43m,id:mp-631541} |
| RD_634356375145_000 | computation | Reference Data From Materials Project: {formula:Na2B5H3O10,spaceGroup:P2_1/c,id:mp-720312} |
| RD_634448992817_000 | computation | Reference Data From Materials Project: {formula:LuB4,spaceGroup:P4/mbm,id:mp-571495} |
| RD_634519120010_000 | computation | Reference Data From Materials Project: {formula:Sc4BCl6,spaceGroup:Pmcb,id:mp-29452} |
| RD_634744419343_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764508} |
| RD_634768381896_000 | computation | Reference Data From Materials Project: {formula:Rb2Hg(BSe)9,spaceGroup:P-1,id:mp-541819} |
| RD_634959607837_000 | computation | Reference Data From Materials Project: {formula:Li3Mn2Fe(BO3)4,spaceGroup:Pc,id:mp-767643} |
| RD_635190231689_000 | computation | Reference Data From Materials Project: {formula:Nd2Fe23B3,spaceGroup:I-43d,id:mp-568158} |
| RD_635433665043_000 | computation | BO in AFLOW crystal prototype A6B_hR14_166_2h_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_635935453495_000 | computation | Reference Data From Materials Project: {formula:BP2N2Cl7,spaceGroup:P2_1/c,id:mp-569608} |
| RD_635943796776_000 | computation | Reference Data From Materials Project: {formula:Li6Mn5Fe(BO3)6,spaceGroup:Pm,id:mp-774362} |
| RD_636437250477_000 | computation | Reference Data From Materials Project: {formula:Sc3InB,spaceGroup:Pm-3m,id:mp-19726} |
| RD_636498536069_000 | computation | Reference Data From Materials Project: {formula:BF3,spaceGroup:P-1,id:mp-27896} |
| RD_636928778979_000 | computation | Reference Data From Materials Project: {formula:Co2B,spaceGroup:I4/mcm,id:mp-493} |
| RD_637058668552_000 | computation | Reference Data From Materials Project: {formula:B5Pb2BrO9,spaceGroup:P2nn,id:mp-23623} |
| RD_637077409115_000 | computation | Reference Data From Materials Project: {formula:Al6B5(O5F)3,spaceGroup:P6_3/m,id:mp-6738} |
| RD_637191340533_000 | computation | Reference Data From Materials Project: {formula:Ba5B3CNO9,spaceGroup:C222_1,id:mp-560326} |
| RD_637874880122_000 | computation | Reference Data From Materials Project: {formula:CsB5O8,spaceGroup:P2_1/c,id:mp-510535} |
| RD_637966825039_000 | computation | Reference Data From Materials Project: {formula:Zn10Fe(B4Rh9)2,spaceGroup:P4/mbm,id:mp-652101} |
| RD_637994263561_000 | computation | Reference Data From Materials Project: {formula:Li6Bi(BO3)3,spaceGroup:P2_1/c,id:mp-770280} |
| RD_638277937555_000 | computation | Reference Data From Materials Project: {formula:Na2SiBSbO7,spaceGroup:P2_1/m,id:mp-771025} |
| RD_638416685621_000 | computation | Reference Data From Materials Project: {formula:Ca2B6O11,spaceGroup:P2_1/c,id:mp-27657} |
| RD_639003611272_000 | computation | Reference Data From Materials Project: {formula:Co2B4Mo,spaceGroup:Immm,id:mp-10055} |
| RD_639210169177_000 | computation | Reference Data From Materials Project: {formula:FeB18H32(C4S)2,spaceGroup:P2_12_12,id:mp-758974} |
| RD_640046618922_000 | computation | Reference Data From Materials Project: {formula:Mg(AlB14)2,spaceGroup:P1,id:mp-531611} |
| RD_640293711063_000 | computation | Reference Data From Materials Project: {formula:BaBPO5,spaceGroup:P3_221,id:mp-6040} |
| RD_640415650379_000 | computation | Reference Data From Materials Project: {formula:Yb3B5O12,spaceGroup:Pncm,id:mp-556099} |
| RD_640438470704_000 | computation | Reference Data From Materials Project: {formula:Li2Bi2B2O7,spaceGroup:C2,id:mp-768821} |
| RD_640839340860_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-851023} |
| RD_641204110739_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-850253} |
| RD_641656368616_000 | computation | Reference Data From Materials Project: {formula:Na3FeBAsO7,spaceGroup:P2_1/m,id:mp-771393} |
| RD_641753761750_000 | computation | Reference Data From Materials Project: {formula:Rb3B12H12Cl,spaceGroup:R-3m,id:mp-24798} |
| RD_641809535835_000 | computation | Reference Data From Materials Project: {formula:La9B3C6Br5,spaceGroup:Pmnm,id:mp-624186} |
| RD_641841404051_000 | computation | Reference Data From Materials Project: {formula:La9B3C6I5,spaceGroup:Pmnm,id:mp-679979} |
| RD_641866034568_000 | computation | Reference Data From Materials Project: {formula:BAs,spaceGroup:F-43m,id:mp-10044} |
| RD_642668240958_000 | computation | Reference Data From Materials Project: {formula:Co23B6,spaceGroup:Fm-3m,id:mp-639154} |
| RD_642878685265_000 | computation | Reference Data From Materials Project: {formula:U(BH4)4,spaceGroup:Cmcm,id:mp-707273} |
| RD_642894844130_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-779866} |
| RD_642945488653_000 | computation | Reference Data From Materials Project: {formula:B2O,spaceGroup:P-3m1,id:mp-614006} |
| RD_643432507556_000 | computation | Reference Data From Materials Project: {formula:Co3B7IO13,spaceGroup:F-43c,id:mp-25675} |
| RD_643609845818_000 | computation | Reference Data From Materials Project: {formula:RbZn4(BO3)3,spaceGroup:P2/c,id:mp-542143} |
| RD_643629507152_000 | computation | Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:Pna2_1,id:mp-768776} |
| RD_643892650141_000 | computation | Reference Data From Materials Project: {formula:Na3SiBiBO7,spaceGroup:P2_1/m,id:mp-772711} |
| RD_644025457915_000 | computation | Reference Data From Materials Project: {formula:B10(Pb2O7)3,spaceGroup:P-1,id:mp-27184} |
| RD_644256536672_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_644646538125_000 | computation | Reference Data From Materials Project: {formula:TlBF4,spaceGroup:Pmcn,id:mp-30548} |
| RD_644958857393_000 | computation | Reference Data From Materials Project: {formula:Na3MnBAsO7,spaceGroup:P2_1/m,id:mp-770765} |
| RD_644985593685_000 | computation | BC in AFLOW crystal prototype A13B2_hR15_166_a2h_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_645464342592_000 | computation | Reference Data From Materials Project: {formula:Na6V2B4AsO16,spaceGroup:Fd3,id:mp-850371} |
| RD_645986703525_000 | computation | Reference Data From Materials Project: {formula:Hf(BH4)4,spaceGroup:P-43m,id:mp-28040} |
| RD_646549075080_000 | computation | Reference Data From Materials Project: {formula:Li5Mn8(BO3)8,spaceGroup:P1,id:mp-778679} |
| RD_646622826504_000 | computation | Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:P2_1/c,id:mp-768789} |
| RD_647473835888_000 | computation | Reference Data From Materials Project: {formula:BSbO3,spaceGroup:C2/c,id:mp-755829} |
| RD_647500785346_000 | computation | Reference Data From Materials Project: {formula:Cs3B12H12Br,spaceGroup:R-3m,id:mp-542819} |
| RD_647506036562_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764619} |
| RD_647612052729_000 | computation | Reference Data From Materials Project: {formula:Re3B,spaceGroup:Cmcm,id:mp-15671} |
| RD_647810864584_000 | computation | Reference Data From Materials Project: {formula:Na2BHO3,spaceGroup:Pmnb,id:mp-556125} |
| RD_648931773204_000 | computation | Reference Data From Materials Project: {formula:BaTi(BO3)2,spaceGroup:R-3,id:mp-11659} |
| RD_649312723310_000 | computation | Reference Data From Materials Project: {formula:Nd(BO2)3,spaceGroup:Pmcn,id:mp-645340} |
| RD_649453751331_000 | computation | Reference Data From Materials Project: {formula:PrB2HF10,spaceGroup:P2_1/m,id:mp-861500} |
| RD_650014613798_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_650485843275_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764447} |
| RD_650530394447_000 | computation | Reference Data From Materials Project: {formula:B2H10C2NClO3,spaceGroup:P-1,id:mp-554977} |
| RD_650544144091_000 | computation | Reference Data From Materials Project: {formula:HfCo3B2,spaceGroup:P6/mmm,id:mp-7804} |
| RD_650772838414_000 | computation | Reference Data From Materials Project: {formula:Nd(BOs)4,spaceGroup:P4_2/n,id:mp-15323} |
| RD_650795535537_000 | computation | Reference Data From Materials Project: {formula:Cu3B7BrO13,spaceGroup:F-43c,id:mp-554590} |
| RD_651389440092_000 | computation | Reference Data From Materials Project: {formula:BiBCl,spaceGroup:F-43m,id:mp-631539} |
| RD_651449646997_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:Cc,id:mp-778333} |
| RD_651865465751_000 | computation | Reference Data From Materials Project: {formula:BRu3H6C6O19F4,spaceGroup:Pmn2_1,id:mp-699265} |
| RD_652405648776_000 | computation | Reference Data From Materials Project: {formula:BH6CN3F4,spaceGroup:R3m,id:mp-862539} |
| RD_653055741831_000 | computation | Reference Data From Materials Project: {formula:BH2N,spaceGroup:P4_32_12,id:mp-29475} |
| RD_653306953770_000 | computation | Reference Data From Materials Project: {formula:K2B2Se7,spaceGroup:C2/c,id:mp-542637} |
| RD_653782880177_000 | computation | Reference Data From Materials Project: {formula:Ba3Y(BO2)9,spaceGroup:P6_3/m,id:mp-559066} |
| RD_654175054189_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-853272} |
| RD_654491589179_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_655347125169_000 | computation | Reference Data From Materials Project: {formula:ZrB2,spaceGroup:P6/mmm,id:mp-1472} |
| RD_656099784130_000 | computation | Reference Data From Materials Project: {formula:HoB2,spaceGroup:P6/mmm,id:mp-2267} |
| RD_656437585793_000 | computation | Reference Data From Materials Project: {formula:CaBiB,spaceGroup:F-43m,id:mp-631550} |
| RD_656630765229_000 | computation | Reference Data From Materials Project: {formula:CeB2Ru3,spaceGroup:P6/mmm,id:mp-5940} |
| RD_656689993691_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-780194} |
| RD_657128193128_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764657} |
| RD_657877866382_000 | computation | Reference Data From Materials Project: {formula:B4PbO7,spaceGroup:P2_1nm,id:mp-9747} |
| RD_657921238557_000 | computation | Reference Data From Materials Project: {formula:B8O,spaceGroup:C2/m,id:mp-758933} |
| RD_658173815243_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe2(BO3)4,spaceGroup:Pc,id:mp-767642} |
| RD_658482124655_000 | computation | Reference Data From Materials Project: {formula:TbNi4B,spaceGroup:P6/mmm,id:mp-12964} |
| RD_658830252214_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-774042} |
| RD_659191665159_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca(BO2)6,spaceGroup:R-3,id:mp-8271} |
| RD_659596898338_000 | computation | Reference Data From Materials Project: {formula:TbB2C,spaceGroup:P4_2/mbc,id:mp-15707} |
| RD_660850652606_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-781670} |
| RD_660981511570_000 | computation | Reference Data From Materials Project: {formula:La2Re3B7,spaceGroup:Pccb,id:mp-27894} |
| RD_661001747199_000 | computation | Reference Data From Materials Project: {formula:ErCo3B2,spaceGroup:P6/mmm,id:mp-5353} |
| RD_661051237182_000 | computation | Reference Data From Materials Project: {formula:Na3FeBSO7,spaceGroup:P2_1/m,id:mp-774247} |
| RD_661316183674_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:Cm,id:mp-778775} |
| RD_662046026298_000 | computation | Reference Data From Materials Project: {formula:Li3Cr(BO3)2,spaceGroup:P-1,id:mp-769732} |
| RD_662737200149_000 | computation | Reference Data From Materials Project: {formula:LiUBO5,spaceGroup:P2_1/c,id:mp-556156} |
| RD_662816063727_000 | computation | Reference Data From Materials Project: {formula:Na5B2P3O13,spaceGroup:P2_1,id:mp-557836} |
| RD_663073393375_000 | computation | Reference Data From Materials Project: {formula:Li3Cr(BO3)2,spaceGroup:P2_1/c,id:mp-765262} |
| RD_663104882575_000 | computation | Reference Data From Materials Project: {formula:LaSiBO5,spaceGroup:P3_121,id:mp-6267} |
| RD_663341699434_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-851014} |
| RD_663603355206_000 | computation | BC in AFLOW crystal prototype AB7_hR8_160_a_7a. 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_663799771200_000 | computation | Reference Data From Materials Project: {formula:Cs(BH)3,spaceGroup:Fm-3m,id:mp-23951} |
| RD_663972583420_000 | computation | Reference Data From Materials Project: {formula:Mg3BH2O5F,spaceGroup:Pm,id:mp-677193} |
| RD_664433785878_000 | computation | Reference Data From Materials Project: {formula:NaSc(BH4)4,spaceGroup:Cmcm,id:mp-866649} |
| RD_664611595870_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764650} |
| RD_664775994116_000 | computation | Reference Data From Materials Project: {formula:Li3Ga(BO3)2,spaceGroup:P-1,id:mp-556014} |
| RD_665004696776_000 | computation | Reference Data From Materials Project: {formula:Pr10(B3C4)3,spaceGroup:P4_12_12,id:mp-567719} |
| RD_665143963684_000 | computation | Reference Data From Materials Project: {formula:LiBH2OF4,spaceGroup:Pbnn,id:mp-730585} |
| RD_665336329415_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-780524} |
| RD_665802461153_000 | computation | Reference Data From Materials Project: {formula:LiBH4,spaceGroup:P6_3mc,id:mp-644223} |
| RD_666218718610_000 | computation | Reference Data From Materials Project: {formula:Cr3B7IO13,spaceGroup:F-43c,id:mp-566772} |
| RD_666220469124_000 | computation | Reference Data From Materials Project: {formula:Sr2BN2Cl,spaceGroup:Pmcn,id:mp-23131} |
| RD_666278010848_000 | computation | Reference Data From Materials Project: {formula:Fe3B7IO13,spaceGroup:Pbc2_1,id:mp-579582} |
| RD_668204188706_000 | computation | Reference Data From Materials Project: {formula:KBH4(CN4)2,spaceGroup:P2_1/c,id:mp-567593} |
| RD_668298136271_000 | computation | Reference Data From Materials Project: {formula:CsB5(H2O3)4,spaceGroup:P2_1/c,id:mp-23742} |
| RD_668428239686_000 | computation | Reference Data From Materials Project: {formula:B2Os,spaceGroup:Pmnm,id:mp-2850} |
| RD_668476467470_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-780136} |
| RD_668844376142_000 | computation | Reference Data From Materials Project: {formula:Dy3MnB7,spaceGroup:Cmcm,id:mp-14356} |
| RD_668934090724_000 | computation | Reference Data From Materials Project: {formula:Cs3BAs2,spaceGroup:C2/c,id:mp-573658} |
| RD_669127716641_000 | computation | Reference Data From Materials Project: {formula:PaB3,spaceGroup:P6_3/mmc,id:mp-862847} |
| RD_669367839923_000 | computation | Reference Data From Materials Project: {formula:Li3Mn2Fe(BO3)3,spaceGroup:Pm,id:mp-774378} |
| RD_669548592704_000 | computation | Reference Data From Materials Project: {formula:LiMgB3(H9N)2,spaceGroup:P6_3,id:mp-866665} |
| RD_669745671328_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-850171} |
| RD_670068784086_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:C222_1,id:mp-769696} |
| RD_670105308371_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_670875372470_000 | computation | Reference Data From Materials Project: {formula:ZrFe12Si2B,spaceGroup:I-43m,id:mp-667335} |
| RD_671002577951_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_671084411533_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-777784} |
| RD_671438465305_000 | computation | Reference Data From Materials Project: {formula:Mg2GeB2Rh5,spaceGroup:P4/mbm,id:mp-505693} |
| RD_671438757100_000 | computation | Reference Data From Materials Project: {formula:Tm2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-21608} |
| RD_671545511512_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-850096} |
| RD_672630022076_000 | computation | Reference Data From Materials Project: {formula:UB2Ir3,spaceGroup:P6/mmm,id:mp-10116} |
| RD_672643244743_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_672941287923_000 | computation | Reference Data From Materials Project: {formula:Bi2B2O7,spaceGroup:P-1,id:mp-768910} |
| RD_673002605941_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764474} |
| RD_673008146428_000 | computation | Reference Data From Materials Project: {formula:InBP2H5NO9,spaceGroup:P-1,id:mp-752709} |
| RD_673154676357_000 | computation | Reference Data From Materials Project: {formula:MnB2F8,spaceGroup:Pmnb,id:mp-556883} |
| RD_673407857325_000 | computation | Reference Data From Materials Project: {formula:Ce3Ni2B2N3,spaceGroup:I4/mmm,id:mp-21136} |
| RD_673492831678_000 | computation | Reference Data From Materials Project: {formula:CdB2XeF10,spaceGroup:P2_1/c,id:mp-559282} |
| RD_673592545279_000 | computation | Reference Data From Materials Project: {formula:LiBi(BO3)2,spaceGroup:P2_1/c,id:mp-755745} |
| RD_674167717658_000 | computation | Reference Data From Materials Project: {formula:Ca5Ni15B4,spaceGroup:P6_3/mmc,id:mp-28170} |
| RD_674265207375_000 | computation | Reference Data From Materials Project: {formula:KHg2B,spaceGroup:F-43m,id:mp-631525} |
| RD_674907312182_000 | computation | Reference Data From Materials Project: {formula:LiFeBO3,spaceGroup:P2_1/c,id:mp-783910} |
| RD_675018094648_000 | computation | Reference Data From Materials Project: {formula:BaSiB,spaceGroup:F-43m,id:mp-631544} |
| RD_675407751342_000 | computation | Reference Data From Materials Project: {formula:Li3BS3,spaceGroup:Pbnm,id:mp-5614} |
| RD_675789649065_000 | computation | Reference Data From Materials Project: {formula:Y3Ni13B2,spaceGroup:P6/mmm,id:mp-567863} |
| RD_675878350392_000 | computation | Reference Data From Materials Project: {formula:NbFeB,spaceGroup:P-6m2,id:mp-7705} |
| RD_676299424127_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_676740419069_000 | computation | Reference Data From Materials Project: {formula:Na2BiBPO7,spaceGroup:P2_1/m,id:mp-771773} |
| RD_677836342258_000 | computation | Reference Data From Materials Project: {formula:Be2BO3F,spaceGroup:R-3c,id:mp-554023} |
| RD_677947498799_000 | computation | Reference Data From Materials Project: {formula:LiMnBO3,spaceGroup:P-1,id:mp-769813} |
| RD_678696626594_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-764653} |
| RD_679167797993_000 | computation | Reference Data From Materials Project: {formula:Th2NiB10,spaceGroup:Pmcb,id:mp-20109} |
| RD_679198729481_000 | computation | Reference Data From Materials Project: {formula:Ca(BH)2,spaceGroup:Pcmn,id:mp-580797} |
| RD_679603647091_000 | computation | Reference Data From Materials Project: {formula:Sm(BC)2,spaceGroup:P4/mbm,id:mp-6916} |
| RD_679637525369_000 | computation | Reference Data From Materials Project: {formula:LiBC,spaceGroup:P6_3/mmc,id:mp-9244} |
| RD_679990304980_000 | computation | Reference Data From Materials Project: {formula:Cr3BO6,spaceGroup:Pcmn,id:mp-24912} |
| RD_680449563181_000 | computation | Reference Data From Materials Project: {formula:Nd2Co7B3,spaceGroup:P6/mmm,id:mp-582394} |
| RD_680580756796_000 | computation | Reference Data From Materials Project: {formula:BPd3,spaceGroup:Pbnm,id:mp-20517} |
| RD_680642695244_000 | computation | Reference Data From Materials Project: {formula:Li20B54O,spaceGroup:P1,id:mp-685320} |
| RD_680712227114_000 | computation | Reference Data From Materials Project: {formula:Sm3BWO9,spaceGroup:P6_3,id:mp-566537} |
| RD_681227677549_000 | computation | Reference Data From Materials Project: {formula:Y2B5Pd14,spaceGroup:I4_1/amd,id:mp-4597} |
| RD_682213447416_000 | computation | Reference Data From Materials Project: {formula:B4C,spaceGroup:P1,id:mp-530074} |
| RD_682312457551_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_682431514805_000 | computation | Reference Data From Materials Project: {formula:B3H5,spaceGroup:P2_1/c,id:mp-569405} |
| RD_682444578329_000 | computation | Reference Data From Materials Project: {formula:Ca(BC)2,spaceGroup:I4/mcm,id:mp-10289} |
| RD_682516007903_000 | computation | Reference Data From Materials Project: {formula:Ca4GdB3O10,spaceGroup:Cm,id:mp-6943} |
| RD_682527174212_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-778982} |
| RD_683001390604_000 | computation | Reference Data From Materials Project: {formula:Sr2Cu(BO3)2,spaceGroup:P2_1/c,id:mp-9660} |
| RD_683199064485_000 | computation | Reference Data From Materials Project: {formula:Ba4Pr7Si12BN27,spaceGroup:P-6,id:mp-695596} |
| RD_683931613821_000 | computation | Reference Data From Materials Project: {formula:Pr2B5,spaceGroup:C2/c,id:mp-16713} |
| RD_684836570295_000 | computation | BN in AFLOW crystal prototype AB_mC16_9_2a_2a. 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_684979560562_000 | computation | Reference Data From Materials Project: {formula:Li6V2B4SO16,spaceGroup:Fd3,id:mp-772590} |
| RD_685510010938_000 | computation | Reference Data From Materials Project: {formula:NdBRh3,spaceGroup:Pm-3m,id:mp-3591} |
| RD_685547177757_000 | computation | Reference Data From Materials Project: {formula:Ba2Li(BO2)5,spaceGroup:P2_1/m,id:mp-6075} |
| RD_685694136017_000 | computation | Reference Data From Materials Project: {formula:UB2Ir3,spaceGroup:P6/mmm,id:mp-10116} |
| RD_686177142319_000 | computation | Reference Data From Materials Project: {formula:Rb3Y2(BO3)3,spaceGroup:Pna2_1,id:mp-556206} |
| RD_686254454405_000 | computation | Reference Data From Materials Project: {formula:K2LiBO3,spaceGroup:C2,id:mp-557632} |
| RD_686661766464_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-779765} |
| RD_686714860329_000 | computation | Reference Data From Materials Project: {formula:Cr(B3H8)2,spaceGroup:P-1,id:mp-567148} |
| RD_686727349834_000 | computation | Reference Data From Materials Project: {formula:Na12B26O45,spaceGroup:Ic2a,id:mp-657344} |
| RD_686854025796_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_687702022668_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3/mmc,id:mp-7991} |
| RD_687807907624_000 | computation | Reference Data From Materials Project: {formula:Li6V2B4SO16,spaceGroup:Fd3,id:mp-772590} |
| RD_687853995008_000 | computation | Reference Data From Materials Project: {formula:BaB2F8,spaceGroup:P2_1/c,id:mp-662570} |
| RD_688777502297_000 | computation | Reference Data From Materials Project: {formula:BaLi(B3O5)3,spaceGroup:R3c,id:mp-17672} |
| RD_689158095439_000 | computation | Reference Data From Materials Project: {formula:Eu(BIr)2,spaceGroup:Fddd,id:mp-20976} |
| RD_689380108527_000 | computation | Reference Data From Materials Project: {formula:AlInB,spaceGroup:F-43m,id:mp-631543} |
| RD_689471611296_000 | computation | Reference Data From Materials Project: {formula:Li7Mn8(BO3)8,spaceGroup:P1,id:mp-781628} |
| RD_689472242698_000 | computation | Reference Data From Materials Project: {formula:Nb7(BC)4,spaceGroup:Immm,id:mp-29981} |
| RD_689526514328_000 | computation | Reference Data From Materials Project: {formula:Lu2Cu(B2O5)2,spaceGroup:P2_1/c,id:mp-17268} |
| RD_689557080283_000 | computation | Reference Data From Materials Project: {formula:NaSiBO4,spaceGroup:P6_3,id:mp-554947} |
| RD_690153221002_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-780137} |
| RD_690353254786_000 | computation | Reference Data From Materials Project: {formula:NaSr4(BN2)3,spaceGroup:Im-3m,id:mp-10811} |
| RD_690503448442_000 | computation | Reference Data From Materials Project: {formula:GdAl3(BO3)4,spaceGroup:C2,id:mp-560801} |
| RD_690736531734_000 | computation | Reference Data From Materials Project: {formula:KMg2B12H19O30,spaceGroup:C2/c,id:mp-707457} |
| RD_690745165986_000 | computation | Reference Data From Materials Project: {formula:ThB12,spaceGroup:Fm-3m,id:mp-12570} |
| RD_690754634003_000 | computation | Reference Data From Materials Project: {formula:CoBO3,spaceGroup:C2/c,id:mp-766751} |
| RD_690756255746_000 | computation | Reference Data From Materials Project: {formula:Li6Mn5Fe(BO3)6,spaceGroup:Cm,id:mp-774370} |
| RD_690869784312_000 | computation | Reference Data From Materials Project: {formula:Mg(BH4)2,spaceGroup:Pmc2_1,id:mp-571156} |
| RD_691778557432_000 | computation | Reference Data From Materials Project: {formula:Li5Mn8(BO3)8,spaceGroup:P1,id:mp-777243} |
| RD_692953573085_000 | computation | Reference Data From Materials Project: {formula:Ho2(Ni5B3)3,spaceGroup:Cmce,id:mp-5571} |
| RD_693630912450_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:Pc,id:mp-764504} |
| RD_693728582301_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764971} |
| RD_693973913121_000 | computation | Reference Data From Materials Project: {formula:Li2CoBO4,spaceGroup:C222_1,id:mp-778655} |
| RD_694196966276_000 | computation | Reference Data From Materials Project: {formula:CrB2,spaceGroup:P6/mmm,id:mp-374} |
| RD_694233179373_000 | computation | Reference Data From Materials Project: {formula:LuBRh3,spaceGroup:Pm-3m,id:mp-3717} |
| RD_694308110930_000 | computation | Reference Data From Materials Project: {formula:Na3BP2,spaceGroup:P2_1/c,id:mp-29370} |
| RD_694319410029_000 | computation | Reference Data From Materials Project: {formula:YbB2Ru3,spaceGroup:P6/mmm,id:mp-3268} |
| RD_694678821748_000 | computation | Reference Data From Materials Project: {formula:SiB6,spaceGroup:Pm-3m,id:mp-7700} |
| RD_694683388729_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-781502} |
| RD_695946014439_000 | computation | Reference Data From Materials Project: {formula:Na3VBAsO7,spaceGroup:P2_1/m,id:mp-772734} |
| RD_696323042365_000 | computation | Reference Data From Materials Project: {formula:GdNiB4,spaceGroup:I4/mmm,id:mp-865177} |
| RD_697419022971_000 | computation | Reference Data From Materials Project: {formula:Cr3B7ClO13,spaceGroup:F-43c,id:mp-566691} |
| RD_697426078184_000 | computation | Reference Data From Materials Project: {formula:Na3CoSiBO7,spaceGroup:P2_1/m,id:mp-771760} |
| RD_697766294280_000 | computation | Reference Data From Materials Project: {formula:Na3NiBPO7,spaceGroup:P2_1/m,id:mp-770066} |
| RD_697778707411_000 | computation | Reference Data From Materials Project: {formula:V2B(PO4)3,spaceGroup:P6_3/m,id:mp-578912} |
| RD_697921148768_000 | computation | Reference Data From Materials Project: {formula:Cu3B7IO13,spaceGroup:F-43c,id:mp-651682} |
| RD_697983655294_000 | computation | Reference Data From Materials Project: {formula:LaBMoO6,spaceGroup:P2_1/c,id:mp-566760} |
| RD_698149203738_000 | computation | Reference Data From Materials Project: {formula:LiFe8(BO3)8,spaceGroup:P1,id:mp-764566} |
| RD_698338461249_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-766603} |
| RD_698911702271_000 | computation | Reference Data From Materials Project: {formula:B8H10N,spaceGroup:P2_1/c,id:mp-733481} |
| RD_699201270098_000 | computation | Reference Data From Materials Project: {formula:EuBRh3,spaceGroup:Pm-3m,id:mp-510377} |
| RD_699494160704_000 | computation | Reference Data From Materials Project: {formula:BaGe2B,spaceGroup:F-43m,id:mp-631556} |
| RD_699523633591_000 | computation | Reference Data From Materials Project: {formula:ThB2Ru3,spaceGroup:P6/mmm,id:mp-3223} |
| RD_700556516745_000 | computation | Reference Data From Materials Project: {formula:B5H8,spaceGroup:Pbn2_1,id:mp-29611} |
| RD_700753732215_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_700937924290_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-764486} |
| RD_701244668951_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-777246} |
| RD_701698210459_000 | computation | Reference Data From Materials Project: {formula:Be2B,spaceGroup:Fm-3m,id:mp-1432} |
| RD_701731860118_000 | computation | Reference Data From Materials Project: {formula:SiBHC3NCl2,spaceGroup:P2_1/c,id:mp-698440} |
| RD_701928762050_000 | computation | Reference Data From Materials Project: {formula:GdB2Ru3,spaceGroup:P6/mmm,id:mp-22335} |
| RD_702425038231_000 | computation | Reference Data From Materials Project: {formula:Y(CoB)2,spaceGroup:I4/mmm,id:mp-3515} |
| RD_702473728971_000 | computation | Reference Data From Materials Project: {formula:Ca4SmB3O10,spaceGroup:Cm,id:mp-6388} |
| RD_702548601376_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-850885} |
| RD_702773240290_000 | computation | Reference Data From Materials Project: {formula:Sr6B(PO4)5,spaceGroup:I-4c2,id:mp-6044} |
| RD_702915506829_000 | computation | Reference Data From Materials Project: {formula:YbB2Ru3,spaceGroup:P6/mmm,id:mp-3268} |
| RD_703107101909_000 | computation | Reference Data From Materials Project: {formula:Zn4B2O7,spaceGroup:C2,id:mp-686042} |
| RD_703598480838_000 | computation | Reference Data From Materials Project: {formula:Ce15B8N25,spaceGroup:R-3c,id:mp-28370} |
| RD_704308600230_000 | computation | Reference Data From Materials Project: {formula:CsAg(BH)10,spaceGroup:Pbcm,id:mp-699468} |
| RD_704353506744_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-777707} |
| RD_704470721863_000 | computation | Reference Data From Materials Project: {formula:K(BH)5,spaceGroup:P2_1/c,id:mp-24270} |
| RD_705945237668_000 | computation | Reference Data From Materials Project: {formula:Li10B14Cl2O25,spaceGroup:F23,id:mp-23122} |
| RD_705992309490_000 | computation | Reference Data From Materials Project: {formula:LaNi2B2C,spaceGroup:I4/mmm,id:mp-568083} |
| RD_706164569087_000 | computation | Reference Data From Materials Project: {formula:Na12B26O45,spaceGroup:P1,id:mp-640740} |
| RD_706652203820_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-850264} |
| RD_706663189625_000 | computation | Reference Data From Materials Project: {formula:B5(H2N)2,spaceGroup:C2/c,id:mp-29306} |
| RD_706696395965_000 | computation | Reference Data From Materials Project: {formula:Ce(Ni2B)6,spaceGroup:Cmc2_1,id:mp-21695} |
| RD_707240825996_000 | computation | Reference Data From Materials Project: {formula:TmB2,spaceGroup:P6/mmm,id:mp-800} |
| RD_707746623219_000 | computation | Reference Data From Materials Project: {formula:BPPbO5,spaceGroup:P3_121,id:mp-21266} |
| RD_708940262003_000 | computation | Reference Data From Materials Project: {formula:Li6Fe2B4SO16,spaceGroup:Fd3,id:mp-770526} |
| RD_709297581206_000 | computation | Reference Data From Materials Project: {formula:Bi2(BO3)3,spaceGroup:P6_3/m,id:mp-755446} |
| RD_710163027913_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764880} |
| RD_710246879216_000 | computation | Reference Data From Materials Project: {formula:YbB2,spaceGroup:P6/mmm,id:mp-10145} |
| RD_710947981892_000 | computation | Reference Data From Materials Project: {formula:Ni3B7BrO13,spaceGroup:Pbc2_1,id:mp-567288} |
| RD_711020502248_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-761428} |
| RD_711488850578_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-779373} |
| RD_711546859665_000 | computation | Reference Data From Materials Project: {formula:BaZn2(BO3)2,spaceGroup:P2_12_12_1,id:mp-557974} |
| RD_711730127977_000 | computation | Reference Data From Materials Project: {formula:Ce2Co7B3,spaceGroup:P6/mmm,id:mp-504616} |
| RD_711876177697_000 | computation | Reference Data From Materials Project: {formula:YB2Pd7,spaceGroup:Fm-3m,id:mp-13560} |
| RD_712277869246_000 | computation | Reference Data From Materials Project: {formula:SmB2Rh2C,spaceGroup:I4/mmm,id:mp-567077} |
| RD_712384515006_000 | computation | BH in AFLOW crystal prototype A2B5_mP56_14_4e_10e. 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_712414153756_000 | computation | Reference Data From Materials Project: {formula:Li2CoBO4,spaceGroup:Pbn2_1,id:mp-761299} |
| RD_712999776501_000 | computation | Reference Data From Materials Project: {formula:Y21B7(C7I9)2,spaceGroup:P-1,id:mp-680189} |
| RD_713479403942_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-781079} |
| RD_713547063120_000 | computation | Reference Data From Materials Project: {formula:LiCdBO3,spaceGroup:P-6,id:mp-6126} |
| RD_713719500519_000 | computation | Reference Data From Materials Project: {formula:LaB6,spaceGroup:Pm-3m,id:mp-2680} |
| RD_713802834558_000 | computation | Reference Data From Materials Project: {formula:ZnB2(CN)8,spaceGroup:P-3m1,id:mp-569303} |
| RD_714258672448_000 | computation | Reference Data From Materials Project: {formula:NdAl3(BO3)4,spaceGroup:C2/c,id:mp-6535} |
| RD_714366110055_000 | computation | Reference Data From Materials Project: {formula:Gd2B(OF)3,spaceGroup:P2_1/c,id:mp-554636} |
| RD_714675544013_000 | computation | BN in AFLOW crystal prototype AB_mC16_8_4a_4a. 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_714799460032_000 | computation | Reference Data From Materials Project: {formula:TbB2Ru3,spaceGroup:P6/mmm,id:mp-3186} |
| RD_715088176440_000 | computation | Reference Data From Materials Project: {formula:SrBi2B2O7,spaceGroup:P6_3/m,id:mp-558323} |
| RD_715622773074_000 | computation | Reference Data From Materials Project: {formula:LaBO3,spaceGroup:P2_1/m,id:mp-7492} |
| RD_716421323231_000 | computation | Reference Data From Materials Project: {formula:Li2BiBO5,spaceGroup:P4/nmm,id:mp-768764} |
| RD_717252419586_000 | computation | Reference Data From Materials Project: {formula:Al2Re3B,spaceGroup:Fd-3m,id:mp-18503} |
| RD_717500632193_000 | computation | Reference Data From Materials Project: {formula:BF3,spaceGroup:P2_1/c,id:mp-558149} |
| RD_717830511599_000 | computation | Reference Data From Materials Project: {formula:CeBPt4,spaceGroup:P6/mmm,id:mp-20051} |
| RD_717842198168_000 | computation | Reference Data From Materials Project: {formula:Co21(SnB3)2,spaceGroup:Fm-3m,id:mp-542739} |
| RD_718167044227_000 | computation | Reference Data From Materials Project: {formula:B6H21C5N2O,spaceGroup:P-1,id:mp-560159} |
| RD_718238294194_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764878} |
| RD_718616434288_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764491} |
| RD_718878407218_000 | computation | Reference Data From Materials Project: {formula:K8Zr6BBr20,spaceGroup:Fm-3m,id:mp-866664} |
| RD_719186053582_000 | computation | Reference Data From Materials Project: {formula:FeBO3,spaceGroup:C2/c,id:mp-853247} |
| RD_719518863870_000 | computation | Reference Data From Materials Project: {formula:Li2MnBO4,spaceGroup:P2_1/c,id:mp-771410} |
| RD_719868191808_000 | computation | Reference Data From Materials Project: {formula:Er2B4O9,spaceGroup:P-1,id:mp-756914} |
| RD_720158680481_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-853202} |
| RD_720662247532_000 | computation | Reference Data From Materials Project: {formula:Li2B12H26O7,spaceGroup:Cmcm,id:mp-699473} |
| RD_720982433949_000 | computation | Reference Data From Materials Project: {formula:Ag3BO3,spaceGroup:R32,id:mp-27816} |
| RD_721227845374_000 | computation | Reference Data From Materials Project: {formula:Eu(Ni2B)6,spaceGroup:R-3m,id:mp-580731} |
| RD_721303739791_000 | computation | Reference Data From Materials Project: {formula:Hg2BCl,spaceGroup:F-43m,id:mp-631530} |
| RD_721344188393_000 | computation | Reference Data From Materials Project: {formula:Ce2Co7B3,spaceGroup:P6/mmm,id:mp-504616} |
| RD_721679420740_000 | computation | Reference Data From Materials Project: {formula:Cr5B3,spaceGroup:I4/mcm,id:mp-15617} |
| RD_721856713515_000 | computation | Reference Data From Materials Project: {formula:Li6Mn5Fe(BO3)6,spaceGroup:Cm,id:mp-774368} |
| RD_721946691779_000 | computation | Reference Data From Materials Project: {formula:Sc2FeB2Ir5,spaceGroup:P4/mbm,id:mp-22425} |
| RD_722077975576_000 | computation | Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:P2_1/c,id:mp-768812} |
| RD_722728992836_000 | computation | Reference Data From Materials Project: {formula:Li2B4O7,spaceGroup:I4_1cd,id:mp-4779} |
| RD_723518900983_000 | computation | Reference Data From Materials Project: {formula:LiVBO4,spaceGroup:R-3,id:mp-770330} |
| RD_723551804001_000 | computation | Reference Data From Materials Project: {formula:SrLi(B3O5)3,spaceGroup:R3c,id:mp-18495} |
| RD_723606047824_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-777937} |
| RD_724177886609_000 | computation | Reference Data From Materials Project: {formula:Tm(BC)2,spaceGroup:P4/mbm,id:mp-10857} |
| RD_724397954476_000 | computation | Reference Data From Materials Project: {formula:B2Pb6SO12,spaceGroup:Pnma,id:mp-553930} |
| RD_724885913436_000 | computation | Reference Data From Materials Project: {formula:Dy2Co7B3,spaceGroup:P6/mmm,id:mp-569158} |
| RD_724908460953_000 | computation | Reference Data From Materials Project: {formula:Th2CoB10,spaceGroup:Pmcb,id:mp-22548} |
| RD_726074182460_000 | computation | Reference Data From Materials Project: {formula:La4B14O27,spaceGroup:C2/c,id:mp-645962} |
| RD_726218347556_000 | computation | Reference Data From Materials Project: {formula:Ce3B2(ClO2)3,spaceGroup:P6_3/m,id:mp-680695} |
| RD_726751342821_000 | computation | Reference Data From Materials Project: {formula:LiBIr,spaceGroup:Fddd,id:mp-3348} |
| RD_726899828277_000 | computation | Reference Data From Materials Project: {formula:SiBAu,spaceGroup:F-43m,id:mp-631562} |
| RD_726935856164_000 | computation | Reference Data From Materials Project: {formula:Na3B5H4O11,spaceGroup:Pbca,id:mp-720296} |
| RD_727003885804_000 | computation | Reference Data From Materials Project: {formula:ReB3,spaceGroup:P6_3/mmc,id:mp-7839} |
| RD_727959258275_000 | computation | Reference Data From Materials Project: {formula:K2Na(B3O5)3,spaceGroup:P2_1/c,id:mp-558293} |
| RD_728383001517_000 | computation | Reference Data From Materials Project: {formula:LiBH2,spaceGroup:Pmcn,id:mp-568523} |
| RD_728397752562_000 | computation | Reference Data From Materials Project: {formula:NaB(CN)4,spaceGroup:Fd-3m,id:mp-571433} |
| RD_728555479993_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:Pca2_1,id:mp-779250} |
| RD_729001427872_000 | computation | Reference Data From Materials Project: {formula:BP(IBr)3,spaceGroup:Pcmn,id:mp-567433} |
| RD_729171563788_000 | computation | Reference Data From Materials Project: {formula:HoNi4B,spaceGroup:P6/mmm,id:mp-10398} |
| RD_729274652732_000 | computation | Reference Data From Materials Project: {formula:Yb2(Ni5B3)3,spaceGroup:Cmce,id:mp-569740} |
| RD_729407143258_000 | computation | Reference Data From Materials Project: {formula:YNi2B2C,spaceGroup:I4/mmm,id:mp-6576} |
| RD_729753615339_000 | computation | Reference Data From Materials Project: {formula:B2H4C,spaceGroup:P2_1/c,id:mp-29655} |
| RD_729840580220_000 | computation | Reference Data From Materials Project: {formula:SmB6,spaceGroup:Pm-3m,id:mp-6996} |
| RD_729907452878_000 | computation | Reference Data From Materials Project: {formula:B3H3SeO9,spaceGroup:Pbcn,id:mp-778385} |
| RD_730708127153_000 | computation | Reference Data From Materials Project: {formula:Ba5B4(O5F)2,spaceGroup:C2/c,id:mp-557176} |
| RD_731091581188_000 | computation | Reference Data From Materials Project: {formula:RbB3O5,spaceGroup:P2_12_12_1,id:mp-561055} |
| RD_731322112947_000 | computation | Reference Data From Materials Project: {formula:LiBH4,spaceGroup:P-1,id:mp-675926} |
| RD_731362070266_000 | computation | Reference Data From Materials Project: {formula:KB5(H2O3)4,spaceGroup:Cc2e,id:mp-706621} |
| RD_731658804666_000 | computation | Reference Data From Materials Project: {formula:CaB4O7,spaceGroup:P2_1/c,id:mp-556214} |
| RD_731682895453_000 | computation | Reference Data From Materials Project: {formula:La4B4Br5,spaceGroup:C2/m,id:mp-510357} |
| RD_732843687853_000 | computation | Reference Data From Materials Project: {formula:GdFe3(BO3)4,spaceGroup:P3_121,id:mp-585750} |
| RD_732913620346_000 | computation | Reference Data From Materials Project: {formula:Ba7SiB3NO13,spaceGroup:P6_3,id:mp-695708} |
| RD_733010653443_000 | computation | Reference Data From Materials Project: {formula:Sn3BF9,spaceGroup:P2_1/c,id:mp-27431} |
| RD_733126332541_000 | computation | Reference Data From Materials Project: {formula:LiVBO3,spaceGroup:P-6,id:mp-769817} |
| RD_733757442980_000 | computation | Reference Data From Materials Project: {formula:Li4B4Sb2SO16,spaceGroup:Fddd,id:mp-768968} |
| RD_734437223267_000 | computation | Reference Data From Materials Project: {formula:Tb3Ni13B2,spaceGroup:P6/mmm,id:mp-541883} |
| RD_734600529963_000 | computation | Reference Data From Materials Project: {formula:Na4Al3Si3B(HO3)4,spaceGroup:P-43n,id:mp-694981} |
| RD_734638894987_000 | computation | Reference Data From Materials Project: {formula:RbScBP2HO9,spaceGroup:P-1,id:mp-23809} |
| RD_734824521357_000 | computation | BC in AFLOW crystal prototype A4B_hR15_166_2h_ac. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_735398312085_000 | computation | Reference Data From Materials Project: {formula:Tb(FeB)2,spaceGroup:I4/mmm,id:mp-12075} |
| RD_735449523197_000 | computation | Reference Data From Materials Project: {formula:K3B12H12I,spaceGroup:R-3m,id:mp-24240} |
| RD_735495978049_000 | computation | BN in AFLOW crystal prototype A13B2_hR15_166_a2h_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_735558564380_000 | computation | Reference Data From Materials Project: {formula:NdNi4B,spaceGroup:P6/mmm,id:mp-8048} |
| RD_735670696239_000 | computation | Reference Data From Materials Project: {formula:YbLi6(BO3)3,spaceGroup:P2_1/c,id:mp-15363} |
| RD_735767889881_000 | computation | Reference Data From Materials Project: {formula:Li5Cu4(BO3)4,spaceGroup:P1,id:mp-771172} |
| RD_735815902274_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_736100607763_000 | computation | Reference Data From Materials Project: {formula:Sr2B5H2O11,spaceGroup:C2,id:mp-699248} |
| RD_736268246068_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-780509} |
| RD_736637371422_000 | computation | Reference Data From Materials Project: {formula:TiB,spaceGroup:F-43m,id:mp-10143} |
| RD_736869799296_000 | computation | Reference Data From Materials Project: {formula:BCl3,spaceGroup:P6_3/m,id:mp-23184} |
| RD_737048080553_000 | computation | Reference Data From Materials Project: {formula:Sr2Mg(BO3)2,spaceGroup:C2/m,id:mp-13541} |
| RD_737054227893_000 | computation | Reference Data From Materials Project: {formula:Nb(BO2)5,spaceGroup:P2_1/c,id:mp-779261} |
| RD_737476933235_000 | computation | Reference Data From Materials Project: {formula:Li3MnFe2(BO3)3,spaceGroup:Pm,id:mp-780474} |
| RD_737482959034_000 | computation | Reference Data From Materials Project: {formula:CeB2Rh2C,spaceGroup:I4/mmm,id:mp-6191} |
| RD_737745137590_000 | computation | Reference Data From Materials Project: {formula:Na3CoBAsO7,spaceGroup:P2_1/m,id:mp-771480} |
| RD_738178492087_000 | computation | Reference Data From Materials Project: {formula:LiCdBO3,spaceGroup:P-6,id:mp-6126} |
| RD_738592252043_000 | computation | Reference Data From Materials Project: {formula:Na2B29,spaceGroup:Imm2,id:mp-29953} |
| RD_738695733421_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-777315} |
| RD_738798714260_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-781608} |
| RD_738994667668_000 | computation | Reference Data From Materials Project: {formula:NaBO2,spaceGroup:R-3c,id:mp-3889} |
| RD_739459443007_000 | computation | Reference Data From Materials Project: {formula:K2Al2B2O7,spaceGroup:P321,id:mp-560217} |
| RD_739675638437_000 | computation | Reference Data From Materials Project: {formula:CeB2Ir3,spaceGroup:P6/mmm,id:mp-11593} |
| RD_739761991583_000 | computation | Reference Data From Materials Project: {formula:Nd3Ni13B2,spaceGroup:P6/mmm,id:mp-3071} |
| RD_740005801337_000 | computation | Reference Data From Materials Project: {formula:Li3CrBPO7,spaceGroup:P2_1/m,id:mp-770034} |
| RD_740145780453_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P1,id:mp-781607} |
| RD_740238883529_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P1,id:mp-851015} |
| RD_740589098355_000 | computation | Reference Data From Materials Project: {formula:Ba2Ca(BO3)2,spaceGroup:C2/m,id:mp-549737} |
| RD_740661857899_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764589} |
| RD_740731993385_000 | computation | Reference Data From Materials Project: {formula:HgB4O7,spaceGroup:P2_1nm,id:mp-12022} |
| RD_740787570005_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-767843} |
| RD_741086098147_000 | computation | Reference Data From Materials Project: {formula:Li2VBO4,spaceGroup:Pmn2_1,id:mp-770038} |
| RD_741763717045_000 | computation | Reference Data From Materials Project: {formula:B5W2,spaceGroup:P6_3/mmc,id:mp-570938} |
| RD_742068262701_000 | computation | Reference Data From Materials Project: {formula:BaBiBO4,spaceGroup:Pmnb,id:mp-559186} |
| RD_742127747916_000 | computation | Reference Data From Materials Project: {formula:SrSi2(BO4)2,spaceGroup:Pmnb,id:mp-6032} |
| RD_742154243698_000 | computation | Reference Data From Materials Project: {formula:Ba3In(BO2)9,spaceGroup:P6_3/m,id:mp-556038} |
| RD_743014348869_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-779268} |
| RD_743111428210_000 | computation | Reference Data From Materials Project: {formula:B5H9,spaceGroup:P4_1,id:mp-29783} |
| RD_743615050392_000 | computation | Reference Data From Materials Project: {formula:Ho2Ni(B2O5)2,spaceGroup:P2_1/c,id:mp-19642} |
| RD_743615688806_000 | computation | Reference Data From Materials Project: {formula:MnB4O7,spaceGroup:Pbca,id:mp-19539} |
| RD_743697126460_000 | computation | Reference Data From Materials Project: {formula:Er2B2Cl2O5,spaceGroup:Pmcb,id:mp-556986} |
| RD_744797571198_000 | computation | Reference Data From Materials Project: {formula:Nd(CoB)2,spaceGroup:I4/mmm,id:mp-5553} |
| RD_744800629376_000 | computation | Reference Data From Materials Project: {formula:Na6Mn2B4PO16,spaceGroup:Fd3,id:mp-853193} |
| RD_744924708773_000 | computation | Reference Data From Materials Project: {formula:Er(BC)2,spaceGroup:P4/mbm,id:mp-10856} |
| RD_745085203213_000 | computation | Reference Data From Materials Project: {formula:CsBe4Al4(B3O7)4,spaceGroup:P-43m,id:mp-540725} |
| RD_745210437135_000 | computation | Reference Data From Materials Project: {formula:La4(B2O5)3,spaceGroup:C2/c,id:mp-772771} |
| RD_745241611126_000 | computation | Reference Data From Materials Project: {formula:BSe2Cl,spaceGroup:Fm-3m,id:mp-631529} |
| RD_745814658395_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_746210045763_000 | computation | Reference Data From Materials Project: {formula:TbBPd3,spaceGroup:Pm-3m,id:mp-3022} |
| RD_746572706625_000 | computation | Reference Data From Materials Project: {formula:BH11AuC4IN2,spaceGroup:P-1,id:mp-698289} |
| RD_746931570685_000 | computation | Reference Data From Materials Project: {formula:AgBO3,spaceGroup:R-3c,id:mp-780275} |
| RD_747200544935_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764542} |
| RD_747360334124_000 | computation | Reference Data From Materials Project: {formula:La5(BN3)2,spaceGroup:C2/m,id:mp-570499} |
| RD_747535158126_000 | computation | Reference Data From Materials Project: {formula:Pr2Co7B3,spaceGroup:P6/mmm,id:mp-3867} |
| RD_747605753746_000 | computation | Reference Data From Materials Project: {formula:BH6N,spaceGroup:P1,id:mp-675418} |
| RD_747786352410_000 | computation | Reference Data From Materials Project: {formula:Ca3(B3Rh4)2,spaceGroup:Fmmm,id:mp-569257} |
| RD_748325061675_000 | computation | Reference Data From Materials Project: {formula:Li2Bi(BO2)5,spaceGroup:P2_1/c,id:mp-768756} |
| RD_748696380621_000 | computation | Reference Data From Materials Project: {formula:Y3B7W,spaceGroup:Cmcm,id:mp-14373} |
| RD_748891727918_000 | computation | Reference Data From Materials Project: {formula:SrAlBO4,spaceGroup:Pnaa,id:mp-21563} |
| RD_749391128989_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764643} |
| RD_749868662956_000 | computation | Reference Data From Materials Project: {formula:CeNi2B2C,spaceGroup:I4/mmm,id:mp-10860} |
| RD_750030749299_000 | computation | Reference Data From Materials Project: {formula:ScBRh3,spaceGroup:Pm-3m,id:mp-569875} |
| RD_750369709346_000 | computation | Reference Data From Materials Project: {formula:Li3MnB8O15,spaceGroup:P2_1/c,id:mp-777632} |
| RD_750375362369_000 | computation | Reference Data From Materials Project: {formula:B,spaceGroup:P4_2/nnm,id:mp-22046} |
| RD_750833592368_000 | computation | Reference Data From Materials Project: {formula:Tl3B3Se10,spaceGroup:P-1,id:mp-542058} |
| RD_751741827091_000 | computation | Reference Data From Materials Project: {formula:Nd2BC,spaceGroup:C2/m,id:mp-864790} |
| RD_751745839619_000 | computation | Reference Data From Materials Project: {formula:Li3Mn2Fe(BO3)3,spaceGroup:Cm,id:mp-779087} |
| RD_751917318782_000 | computation | Reference Data From Materials Project: {formula:Si2Ni6B,spaceGroup:P-62m,id:mp-4720} |
| RD_751980075161_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764916} |
| RD_752530323832_000 | computation | Reference Data From Materials Project: {formula:HoBO3,spaceGroup:R-3c,id:mp-754409} |
| RD_752752955514_000 | computation | Reference Data From Materials Project: {formula:CeCo3B2,spaceGroup:P6/mmm,id:mp-4454} |
| RD_753804664104_000 | computation | Reference Data From Materials Project: {formula:Zn3(Ni10B3)2,spaceGroup:Fm-3m,id:mp-10131} |
| RD_754074992550_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-780440} |
| RD_754296705048_000 | computation | Reference Data From Materials Project: {formula:Al4Co(BO5)2,spaceGroup:P2_1/c,id:mp-19348} |
| RD_754804352215_000 | computation | Reference Data From Materials Project: {formula:Sm2Co7B3,spaceGroup:P6/mmm,id:mp-505207} |
| RD_755036462168_000 | computation | Reference Data From Materials Project: {formula:CeSc3(BO3)4,spaceGroup:R32,id:mp-16097} |
| RD_755081418850_000 | computation | Reference Data From Materials Project: {formula:BH8CN,spaceGroup:Pcmn,id:mp-567989} |
| RD_755372683753_000 | computation | Reference Data From Materials Project: {formula:B3Ru7,spaceGroup:P6_3mc,id:mp-17535} |
| RD_755456131729_000 | computation | Reference Data From Materials Project: {formula:K3CuB2P4H3O17,spaceGroup:P2_1/c,id:mp-773133} |
| RD_755468972813_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-774076} |
| RD_755502551716_000 | computation | Reference Data From Materials Project: {formula:Na4Ga3Si3B(HO3)4,spaceGroup:P-43n,id:mp-534870} |
| RD_755511120107_000 | computation | Reference Data From Materials Project: {formula:MnSn(BO3)2,spaceGroup:R-3,id:mp-25012} |
| RD_755517579277_000 | computation | Reference Data From Materials Project: {formula:LaSc3(BO3)4,spaceGroup:R32,id:mp-10348} |
| RD_755848621380_000 | computation | Reference Data From Materials Project: {formula:KSr4(BO3)3,spaceGroup:C2cm,id:mp-554346} |
| RD_755998931374_000 | computation | Reference Data From Materials Project: {formula:KBH4,spaceGroup:P4_2/nmc,id:mp-37722} |
| RD_756331336733_000 | computation | Reference Data From Materials Project: {formula:Na6Mn2B4SO16,spaceGroup:Fd3,id:mp-770500} |
| RD_756373753592_000 | computation | Reference Data From Materials Project: {formula:B,spaceGroup:R-3m,id:mp-160} |
| RD_757799429319_000 | computation | Reference Data From Materials Project: {formula:MgB4Os3,spaceGroup:Cmcm,id:mp-10503} |
| RD_757895811495_000 | computation | Reference Data From Materials Project: {formula:ErB2Rh2C,spaceGroup:I4/mmm,id:mp-6982} |
| RD_758089751660_000 | computation | Reference Data From Materials Project: {formula:NaBe2BO3F2,spaceGroup:C2,id:mp-556865} |
| RD_758597964455_000 | computation | Reference Data From Materials Project: {formula:Ba3BPO3,spaceGroup:P6_3/mmc,id:mp-9712} |
| RD_758787269528_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-853213} |
| RD_758931966699_000 | computation | BN in AFLOW crystal prototype AB_mC16_8_4a_4a. 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_758968427175_000 | computation | Reference Data From Materials Project: {formula:NaFe9Si6B3H2O31,spaceGroup:Cm,id:mp-745115} |
| RD_759433527420_000 | computation | BO in AFLOW crystal prototype A2B3_hP15_152_c_ac. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_759989978156_000 | computation | Reference Data From Materials Project: {formula:SrB6,spaceGroup:Pm-3m,id:mp-242} |
| RD_760520161681_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_760635358044_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-780199} |
| RD_760997032480_000 | computation | Reference Data From Materials Project: {formula:Tl3BO3,spaceGroup:P6_3/m,id:mp-4584} |
| RD_761143808036_000 | computation | Reference Data From Materials Project: {formula:Yb(BO2)3,spaceGroup:C2/c,id:mp-760657} |
| RD_761651809727_000 | computation | Reference Data From Materials Project: {formula:ErNi4B,spaceGroup:P6/mmm,id:mp-12965} |
| RD_761845097403_000 | computation | Reference Data From Materials Project: {formula:La(BO2)3,spaceGroup:C2/c,id:mp-4658} |
| RD_761961268305_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P-1,id:mp-779971} |
| RD_762141387176_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-780887} |
| RD_763386315029_000 | computation | Reference Data From Materials Project: {formula:Y4CoB13,spaceGroup:P4/mnc,id:mp-504861} |
| RD_763953078734_000 | computation | Reference Data From Materials Project: {formula:BaBPO5,spaceGroup:P3_121,id:mp-15840} |
| RD_763995542655_000 | computation | Reference Data From Materials Project: {formula:CaB3H13O12,spaceGroup:P2_1/c,id:mp-733877} |
| RD_764496942087_000 | computation | Reference Data From Materials Project: {formula:Ce(CoB)4,spaceGroup:P4_2/nmc,id:mp-22165} |
| RD_764579410674_000 | computation | Reference Data From Materials Project: {formula:Li2Ti(BO3)2,spaceGroup:P1,id:mp-754445} |
| RD_764587529174_000 | computation | Reference Data From Materials Project: {formula:B10H13I,spaceGroup:P2_1/c,id:mp-31003} |
| RD_764699138479_000 | computation | Reference Data From Materials Project: {formula:BI3,spaceGroup:P6_3/m,id:mp-23189} |
| RD_765238006467_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P-1,id:mp-850994} |
| RD_765767809192_000 | computation | Reference Data From Materials Project: {formula:RbB(CN)4,spaceGroup:I4_1/a,id:mp-13591} |
| RD_765820751412_000 | computation | Reference Data From Materials Project: {formula:Li7Fe8(BO3)8,spaceGroup:P1,id:mp-764523} |
| RD_765830603608_000 | computation | Reference Data From Materials Project: {formula:Ba3BPO3,spaceGroup:P6_3/mmc,id:mp-9712} |
| RD_766764611258_000 | computation | Reference Data From Materials Project: {formula:Sm3Si2BO10,spaceGroup:Pcab,id:mp-13500} |
| RD_766873179890_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:Pna2_1,id:mp-779305} |
| RD_767141761617_000 | computation | Reference Data From Materials Project: {formula:LiBS4(ClO3)4,spaceGroup:P2_1/c,id:mp-555090} |
| RD_767569937064_000 | computation | Reference Data From Materials Project: {formula:Bi12BO20,spaceGroup:I23,id:mp-769060} |
| RD_767648814290_000 | computation | Reference Data From Materials Project: {formula:Ho(FeB)2,spaceGroup:I4/mmm,id:mp-571500} |
| RD_767906534142_000 | computation | Reference Data From Materials Project: {formula:InBO3,spaceGroup:R-3c,id:mp-7027} |
| RD_767925972107_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:Pm,id:mp-775281} |
| RD_768046973125_000 | computation | Reference Data From Materials Project: {formula:Li3Fe3(BO3)4,spaceGroup:Pc,id:mp-767662} |
| RD_768448339889_000 | computation | Reference Data From Materials Project: {formula:LiMn4(BO3)4,spaceGroup:P1,id:mp-780026} |
| RD_768726098304_000 | computation | Reference Data From Materials Project: {formula:Li9Mn4(BO3)8,spaceGroup:P1,id:mp-763210} |
| RD_768823674447_000 | computation | Reference Data From Materials Project: {formula:PrBPt4,spaceGroup:P6/mmm,id:mp-13483} |
| RD_769475180709_000 | computation | Reference Data From Materials Project: {formula:Ni3(BO3)2,spaceGroup:Pnnm,id:mp-18806} |
| RD_769511397106_000 | computation | Reference Data From Materials Project: {formula:Li2Fe5B3O13,spaceGroup:P2_1/m,id:mp-772565} |
| RD_769820647614_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764513} |
| RD_769838728263_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_770453296764_000 | computation | Reference Data From Materials Project: {formula:RbInBP2HO9,spaceGroup:P-1,id:mp-766175} |
| RD_770728592599_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-849616} |
| RD_770981523993_000 | computation | Reference Data From Materials Project: {formula:La4B4Cl5,spaceGroup:C2/m,id:mp-569894} |
| RD_771095536931_000 | computation | Reference Data From Materials Project: {formula:NbB2,spaceGroup:P6/mmm,id:mp-450} |
| RD_771344919216_000 | computation | Reference Data From Materials Project: {formula:Sr3Sc(BO3)3,spaceGroup:R-3,id:mp-17562} |
| RD_771415312232_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)4,spaceGroup:Pc,id:mp-767663} |
| RD_771527259877_000 | computation | Reference Data From Materials Project: {formula:Li6Mn(BO3)3,spaceGroup:P2_1/c,id:mp-772526} |
| RD_772126771810_000 | computation | Reference Data From Materials Project: {formula:Np(BH4)4,spaceGroup:P4_2/nmc,id:mp-505372} |
| RD_772146620332_000 | computation | Reference Data From Materials Project: {formula:NaSrB5O9,spaceGroup:P2_1/c,id:mp-561514} |
| RD_772168470150_000 | computation | Reference Data From Materials Project: {formula:Li3B7O12,spaceGroup:P-1,id:mp-16828} |
| RD_772187164158_000 | computation | Reference Data From Materials Project: {formula:Tb4CoB13,spaceGroup:P4/mnc,id:mp-22573} |
| RD_772679835246_000 | computation | Reference Data From Materials Project: {formula:SrSn(BO3)2,spaceGroup:R-3,id:mp-8000} |
| RD_772779457108_000 | computation | Reference Data From Materials Project: {formula:Zn3(Ni10B3)2,spaceGroup:Fm-3m,id:mp-10131} |
| RD_772803526731_000 | computation | Reference Data From Materials Project: {formula:Fe3B7ClO13,spaceGroup:R3c,id:mp-566887} |
| RD_772893486432_000 | computation | Reference Data From Materials Project: {formula:Li3MnB4O9,spaceGroup:P2_1/m,id:mp-771178} |
| RD_773053059966_000 | computation | Reference Data From Materials Project: {formula:CaBiB,spaceGroup:F-43m,id:mp-631550} |
| RD_773558432840_000 | computation | Reference Data From Materials Project: {formula:Li2Mn(BO3)2,spaceGroup:P2_1/c,id:mp-778528} |
| RD_773909497198_000 | computation | Reference Data From Materials Project: {formula:Er2Cu(B2O5)2,spaceGroup:P2_1/c,id:mp-17699} |
| RD_774111464442_000 | computation | Reference Data From Materials Project: {formula:BiB2O4F,spaceGroup:P3_2,id:mp-558753} |
| RD_774469639145_000 | computation | Reference Data From Materials Project: {formula:Tm3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-16092} |
| RD_774708048997_000 | computation | Reference Data From Materials Project: {formula:ErB6,spaceGroup:Pm-3m,id:mp-1296} |
| RD_774718791977_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_774963110993_000 | computation | Reference Data From Materials Project: {formula:CoBO3,spaceGroup:P-1,id:mp-769836} |
| RD_775059180083_000 | computation | Reference Data From Materials Project: {formula:Ga3B4Pt9,spaceGroup:P-62c,id:mp-28869} |
| RD_775091986261_000 | computation | BO in AFLOW crystal prototype A6B_hR14_166_2h_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_775296940444_000 | computation | Reference Data From Materials Project: {formula:B6H10N,spaceGroup:Fm3,id:mp-31064} |
| RD_775512958281_000 | computation | Reference Data From Materials Project: {formula:KBF4,spaceGroup:P1,id:mp-676049} |
| RD_775710916538_000 | computation | Reference Data From Materials Project: {formula:Li2Fe(BO2)5,spaceGroup:P2_1/c,id:mp-770764} |
| RD_775759165895_000 | computation | Reference Data From Materials Project: {formula:Li2BiBO4,spaceGroup:Pmnb,id:mp-768731} |
| RD_776021598567_000 | computation | Reference Data From Materials Project: {formula:Li9Fe4(BO3)8,spaceGroup:P1,id:mp-765296} |
| RD_776505000745_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:Pm,id:mp-775261} |
| RD_776674161226_000 | computation | Reference Data From Materials Project: {formula:Ca3La3(BO3)5,spaceGroup:P6_3mc,id:mp-6709} |
| RD_776707830508_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-779372} |
| RD_777018239716_000 | computation | Reference Data From Materials Project: {formula:YB5O9,spaceGroup:P2_1/c,id:mp-768961} |
| RD_777252136488_000 | computation | Reference Data From Materials Project: {formula:Li3Sn(BO3)2,spaceGroup:P-1,id:mp-770286} |
| RD_777281648952_000 | computation | Reference Data From Materials Project: {formula:PmB3,spaceGroup:P6_3/mmc,id:mp-862984} |
| RD_777284138854_000 | computation | Reference Data From Materials Project: {formula:Rb3BP2,spaceGroup:C2/c,id:mp-9720} |
| RD_777492059951_000 | computation | Reference Data From Materials Project: {formula:DyB4,spaceGroup:P4/mbm,id:mp-2719} |
| RD_777619010614_000 | computation | Reference Data From Materials Project: {formula:Li8B2O7,spaceGroup:P2_1/c,id:mp-768921} |
| RD_777791384694_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-779074} |
| RD_778544970621_000 | computation | Reference Data From Materials Project: {formula:LiZnBO3,spaceGroup:P1,id:mp-756912} |
| RD_778697443593_000 | computation | Reference Data From Materials Project: {formula:Rb2CoB12(H2O3)10,spaceGroup:P-1,id:mp-775575} |
| RD_779531600264_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-780123} |
| RD_779578061326_000 | computation | Reference Data From Materials Project: {formula:Sc(BC)2,spaceGroup:Pmcb,id:mp-27693} |
| RD_779812801297_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-781616} |
| RD_780469660373_000 | computation | Reference Data From Materials Project: {formula:Li3MnBAsO7,spaceGroup:P2_1/m,id:mp-771436} |
| RD_780547248517_000 | computation | Reference Data From Materials Project: {formula:BaAlBO3F2,spaceGroup:P-62c,id:mp-558491} |
| RD_781326031110_000 | computation | Reference Data From Materials Project: {formula:CsAlBP2HO9,spaceGroup:P2_1/c,id:mp-542129} |
| RD_781421677210_000 | computation | Reference Data From Materials Project: {formula:BAs5(Pb3O10)2,spaceGroup:P-4,id:mp-622018} |
| RD_781510946108_000 | computation | Reference Data From Materials Project: {formula:BaGaBO3F2,spaceGroup:P6_3/m,id:mp-10509} |
| RD_781929184338_000 | computation | Reference Data From Materials Project: {formula:ErB2Ir3,spaceGroup:P6/mmm,id:mp-5197} |
| RD_782084123172_000 | computation | Reference Data From Materials Project: {formula:Mg8BRh4,spaceGroup:Fd-3m,id:mp-568621} |
| RD_782097239656_000 | computation | Reference Data From Materials Project: {formula:LiCoBO3,spaceGroup:Pbnm,id:mp-769987} |
| RD_782193488681_000 | computation | Reference Data From Materials Project: {formula:Na4Li5(BO3)3,spaceGroup:C2/c,id:mp-558455} |
| RD_782479561476_000 | computation | Reference Data From Materials Project: {formula:LaFe3(BO3)4,spaceGroup:R32,id:mp-24966} |
| RD_782770449037_000 | computation | Reference Data From Materials Project: {formula:Y2ReB6,spaceGroup:Pmcb,id:mp-504560} |
| RD_783148890470_000 | computation | Reference Data From Materials Project: {formula:Ba3Sc(BO3)3,spaceGroup:P6_3cm,id:mp-14972} |
| RD_783308818020_000 | computation | Reference Data From Materials Project: {formula:Na3CoBPO7,spaceGroup:P2_1/m,id:mp-771751} |
| RD_783429616445_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_783506500335_000 | computation | Reference Data From Materials Project: {formula:BSe2Cl,spaceGroup:Fm-3m,id:mp-631529} |
| RD_783585528538_000 | computation | Reference Data From Materials Project: {formula:LuNiB4,spaceGroup:Pbam,id:mp-865491} |
| RD_783788872211_000 | computation | Reference Data From Materials Project: {formula:Zn5B3Rh7,spaceGroup:Pmmb,id:mp-510697} |
| RD_783918382835_000 | computation | Reference Data From Materials Project: {formula:Na6V2B4SO16,spaceGroup:Fd3,id:mp-781738} |
| RD_783932002128_000 | computation | Reference Data From Materials Project: {formula:Ti6Si2B,spaceGroup:P-62m,id:mp-11750} |
| RD_784826823118_000 | computation | Reference Data From Materials Project: {formula:La(BC)2,spaceGroup:P4_2/mmc,id:mp-7783} |
| RD_785141886091_000 | computation | Reference Data From Materials Project: {formula:HoBPd3,spaceGroup:Pm-3m,id:mp-3693} |
| RD_785179588646_000 | computation | Reference Data From Materials Project: {formula:B2IrCl,spaceGroup:Fm-3m,id:mp-631586} |
| RD_786322148907_000 | computation | Reference Data From Materials Project: {formula:NaCaB5H16O17,spaceGroup:P-1,id:mp-698191} |
| RD_786686692301_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-780180} |
| RD_787291849831_000 | computation | Reference Data From Materials Project: {formula:ErB2,spaceGroup:P6/mmm,id:mp-1774} |
| RD_787525624557_000 | computation | Reference Data From Materials Project: {formula:Mg(SiB6)2,spaceGroup:Pmcn,id:mp-567224} |
| RD_787622827030_000 | computation | Reference Data From Materials Project: {formula:Li2Mn(BO3)2,spaceGroup:P2_1/c,id:mp-767824} |
| RD_787894148866_000 | computation | Reference Data From Materials Project: {formula:Ce(BO2)3,spaceGroup:P2_1ca,id:mp-555610} |
| RD_789245573725_000 | computation | Reference Data From Materials Project: {formula:B3Ru2,spaceGroup:P6_3/mmc,id:mp-13854} |
| RD_789418861984_000 | computation | Reference Data From Materials Project: {formula:YbB4O7,spaceGroup:P2_1nm,id:mp-752484} |
| RD_789604257410_000 | computation | Reference Data From Materials Project: {formula:Li5Mn8(BO3)8,spaceGroup:P1,id:mp-850402} |
| RD_789978479420_000 | computation | Reference Data From Materials Project: {formula:NbFeB,spaceGroup:P-6m2,id:mp-7705} |
| RD_790265660077_000 | computation | Reference Data From Materials Project: {formula:Mg5B3O9F,spaceGroup:Pbnm,id:mp-560026} |
| RD_790286042099_000 | computation | Reference Data From Materials Project: {formula:NiB18(H11C2)2,spaceGroup:P2_1/c,id:mp-705569} |
| RD_790397215900_000 | computation | Reference Data From Materials Project: {formula:Ce(CrB3)2,spaceGroup:Immm,id:mp-2873} |
| RD_790705879112_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-850431} |
| RD_791169462203_000 | computation | Reference Data From Materials Project: {formula:Nd2B5,spaceGroup:C2/c,id:mp-567415} |
| RD_791568892776_000 | computation | Reference Data From Materials Project: {formula:BaZr(BO3)2,spaceGroup:R-3c,id:mp-559348} |
| RD_792069385425_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3mc,id:mp-2653} |
| RD_792674029103_000 | computation | Reference Data From Materials Project: {formula:Li2NiBO4,spaceGroup:Pbn2_1,id:mp-771080} |
| RD_793297052488_000 | computation | Reference Data From Materials Project: {formula:Pr5Co19B6,spaceGroup:P6/mmm,id:mp-542034} |
| RD_793655445119_000 | computation | Reference Data From Materials Project: {formula:ScB12,spaceGroup:Fm-3m,id:mp-8772} |
| RD_793671018979_000 | computation | Reference Data From Materials Project: {formula:BBr3,spaceGroup:P6_3/m,id:mp-23225} |
| RD_793947974003_000 | computation | BC in AFLOW crystal prototype A13B2_hR15_166_a2h_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_794795727756_000 | computation | Reference Data From Materials Project: {formula:Na3BN2,spaceGroup:P2_1/c,id:mp-28630} |
| RD_795220461424_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_795817161665_000 | computation | Reference Data From Materials Project: {formula:Ce9B3C6Br5,spaceGroup:Pmnm,id:mp-680283} |
| RD_797550777172_000 | computation | Reference Data From Materials Project: {formula:Sr3Nd2(BO3)4,spaceGroup:Pna2_1,id:mp-6249} |
| RD_798487924506_000 | computation | Reference Data From Materials Project: {formula:NaMnBO3,spaceGroup:C2/c,id:mp-776039} |
| RD_798669206041_000 | computation | Reference Data From Materials Project: {formula:LiMnBO3,spaceGroup:Cc,id:mp-850971} |
| RD_798813063027_000 | computation | Reference Data From Materials Project: {formula:Co3B7ClO13,spaceGroup:R3c,id:mp-25674} |
| RD_799348731440_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-779218} |
| RD_799551747286_000 | computation | Reference Data From Materials Project: {formula:Zn4B6SeO12,spaceGroup:I-43m,id:mp-14921} |
| RD_799562209777_000 | computation | Reference Data From Materials Project: {formula:Sr2BN2F,spaceGroup:Pmnb,id:mp-10234} |
| RD_799607247703_000 | computation | Reference Data From Materials Project: {formula:BH4O2F3,spaceGroup:P2_1/c,id:mp-696656} |
| RD_800425756932_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_800586068417_000 | computation | Reference Data From Materials Project: {formula:CrBPbO4,spaceGroup:Pmnb,id:mp-25685} |
| RD_800759741185_000 | computation | Reference Data From Materials Project: {formula:GaBPbO4,spaceGroup:Pmnb,id:mp-505743} |
| RD_800849217426_000 | computation | BC in AFLOW crystal prototype AB7_oP8_25_a_bcdef. 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_801526899295_000 | computation | Reference Data From Materials Project: {formula:CeBO3,spaceGroup:P2_1/m,id:mp-20178} |
| RD_801570233865_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_802126868347_000 | computation | Reference Data From Materials Project: {formula:Ca2MgB2H16(CO9)2,spaceGroup:P2_1/c,id:mp-707983} |
| RD_802201846743_000 | computation | Reference Data From Materials Project: {formula:YbB2C,spaceGroup:P4_2/mbc,id:mp-866809} |
| RD_802326223591_000 | computation | Reference Data From Materials Project: {formula:Li6Mn5Fe(BO3)6,spaceGroup:P1,id:mp-780442} |
| RD_802354192307_000 | computation | Reference Data From Materials Project: {formula:HgB2(CN)8,spaceGroup:P-3m1,id:mp-567699} |
| RD_802884508133_000 | computation | Reference Data From Materials Project: {formula:Be(B3H7)2,spaceGroup:P2_1/c,id:mp-27748} |
| RD_802894726740_000 | computation | Reference Data From Materials Project: {formula:NaB(CO2)4,spaceGroup:Ccmm,id:mp-559618} |
| RD_803181222496_000 | computation | Reference Data From Materials Project: {formula:Ba3Y(BO2)9,spaceGroup:P6_3/m,id:mp-559066} |
| RD_803460472496_000 | computation | Reference Data From Materials Project: {formula:CoBMo,spaceGroup:Pmnb,id:mp-21347} |
| RD_803735693018_000 | computation | Reference Data From Materials Project: {formula:Ba3Ti3(BO6)2,spaceGroup:P-62m,id:mp-11772} |
| RD_803780887019_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-780582} |
| RD_804328650677_000 | computation | Reference Data From Materials Project: {formula:K3B12H12Br,spaceGroup:C2/m,id:mp-634464} |
| RD_804506458713_000 | computation | Reference Data From Materials Project: {formula:Li7Mn8(BO3)8,spaceGroup:P1,id:mp-779303} |
| RD_804535358673_000 | computation | Reference Data From Materials Project: {formula:LiCrBO3,spaceGroup:P1,id:mp-771379} |
| RD_804551402594_000 | computation | BO in AFLOW crystal prototype A6B_hR14_166_2h_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_804727208519_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:Pc,id:mp-779299} |
| RD_805117173087_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-776713} |
| RD_805434965584_000 | computation | Reference Data From Materials Project: {formula:SmB2,spaceGroup:P6/mmm,id:mp-10141} |
| RD_805495262131_000 | computation | Reference Data From Materials Project: {formula:Li4Mn(BO3)2,spaceGroup:Pnnm,id:mp-769946} |
| RD_805678611945_000 | computation | Reference Data From Materials Project: {formula:Ba3BPO7,spaceGroup:P6_3mc,id:mp-554479} |
| RD_805834036205_000 | computation | Reference Data From Materials Project: {formula:Na3BSbAsO7,spaceGroup:P2_1/m,id:mp-770738} |
| RD_805942707580_000 | computation | Reference Data From Materials Project: {formula:Ba3Y(BO3)3,spaceGroup:P6_3cm,id:mp-6310} |
| RD_806826513257_000 | computation | Reference Data From Materials Project: {formula:DyCo3B2,spaceGroup:P6/mmm,id:mp-20193} |
| RD_807200264410_000 | computation | Reference Data From Materials Project: {formula:Sm(BO2)3,spaceGroup:C2/c,id:mp-11709} |
| RD_807579746743_000 | computation | Reference Data From Materials Project: {formula:Ni20(SnB2)3,spaceGroup:Fm-3m,id:mp-29724} |
| RD_807959809594_000 | computation | Reference Data From Materials Project: {formula:DyB2Rh2C,spaceGroup:I4/mmm,id:mp-571041} |
| RD_808001911191_000 | computation | Reference Data From Materials Project: {formula:LiCuBO3,spaceGroup:Pbca,id:mp-774624} |
| RD_808095058830_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-853195} |
| RD_809232993254_000 | computation | Reference Data From Materials Project: {formula:V2B3,spaceGroup:Cmcm,id:mp-9208} |
| RD_809642846860_000 | computation | Reference Data From Materials Project: {formula:BaBAsO5,spaceGroup:P3_121,id:mp-9784} |
| RD_809812091555_000 | computation | Reference Data From Materials Project: {formula:GdCo3B2,spaceGroup:P6/mmm,id:mp-21252} |
| RD_810056644802_000 | computation | Reference Data From Materials Project: {formula:Be(BH4)2,spaceGroup:I4_1cd,id:mp-27344} |
| RD_811215372255_000 | computation | Reference Data From Materials Project: {formula:B2Mo,spaceGroup:P6/mmm,id:mp-960} |
| RD_811535517270_000 | computation | Reference Data From Materials Project: {formula:ZrFe12Si2B,spaceGroup:I-43m,id:mp-653838} |
| RD_811855218702_000 | computation | Reference Data From Materials Project: {formula:Sr4Li(BO3)3,spaceGroup:Ia-3d,id:mp-554003} |
| RD_812222701631_000 | computation | Reference Data From Materials Project: {formula:Lu3BC3,spaceGroup:Ccmm,id:mp-10566} |
| RD_812405302335_000 | computation | Reference Data From Materials Project: {formula:CsB9H14,spaceGroup:P-1,id:mp-27590} |
| RD_812644008790_000 | computation | BH in AFLOW crystal prototype A3B5_oC64_36_2a2b_2a4b. 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_812646584363_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764554} |
| RD_813390156286_000 | computation | Reference Data From Materials Project: {formula:LiGeBO4,spaceGroup:Fm2m,id:mp-549308} |
| RD_813536832752_000 | computation | Reference Data From Materials Project: {formula:LiBi4B3O11,spaceGroup:C2/c,id:mp-768774} |
| RD_813857791841_000 | computation | Reference Data From Materials Project: {formula:Sr2B4Rh5,spaceGroup:Fmmm,id:mp-8896} |
| RD_814211000746_000 | computation | Reference Data From Materials Project: {formula:HoB6,spaceGroup:Pm-3m,id:mp-571491} |
| RD_814395712506_000 | computation | Reference Data From Materials Project: {formula:CsBe2BO3F2,spaceGroup:R32,id:mp-553342} |
| RD_815185841677_000 | computation | Reference Data From Materials Project: {formula:MgB2,spaceGroup:P6/mmm,id:mp-763} |
| RD_815233127403_000 | computation | Reference Data From Materials Project: {formula:Mg(BC)2,spaceGroup:Cmce,id:mp-3582} |
| RD_815636027740_000 | computation | Reference Data From Materials Project: {formula:Zn2BIr2,spaceGroup:Ccmm,id:mp-28787} |
| RD_816480337820_000 | computation | Reference Data From Materials Project: {formula:SmBPd3,spaceGroup:Pm-3m,id:mp-3428} |
| RD_816583728197_000 | computation | Reference Data From Materials Project: {formula:Rb(BH)5,spaceGroup:P2_1/c,id:mp-780534} |
| RD_816983983713_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_817379030856_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-777662} |
| RD_817885703279_000 | computation | Reference Data From Materials Project: {formula:Rb3B12H12I,spaceGroup:R-3m,id:mp-24241} |
| RD_818525198823_000 | computation | Reference Data From Materials Project: {formula:Li2B2Rh3,spaceGroup:Pmcb,id:mp-605839} |
| RD_818851951112_000 | computation | Reference Data From Materials Project: {formula:LuB2Ru3,spaceGroup:P6/mmm,id:mp-5578} |
| RD_818908779383_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-778894} |
| RD_819854224674_000 | computation | Reference Data From Materials Project: {formula:Li3Mn2Fe(BO3)3,spaceGroup:Pm,id:mp-780297} |
| RD_819862687635_000 | computation | Reference Data From Materials Project: {formula:Dy5B2C5,spaceGroup:P4/ncc,id:mp-18628} |
| RD_819910661270_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-779832} |
| RD_820294368192_000 | computation | Reference Data From Materials Project: {formula:PrBRh3,spaceGroup:Pm-3m,id:mp-5200} |
| RD_820362916629_000 | computation | Reference Data From Materials Project: {formula:Ba3BAsO3,spaceGroup:P6_3/mmc,id:mp-9793} |
| RD_820777317596_000 | computation | Reference Data From Materials Project: {formula:Y3Ni13B2,spaceGroup:P6/mmm,id:mp-567863} |
| RD_820839552404_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764611} |
| RD_820863001660_000 | computation | Reference Data From Materials Project: {formula:Pr3(BN2)2,spaceGroup:Immm,id:mp-29587} |
| RD_821097299673_000 | computation | Reference Data From Materials Project: {formula:PrCo2B2C,spaceGroup:I4/mmm,id:mp-12985} |
| RD_821100889143_000 | computation | Reference Data From Materials Project: {formula:Li4B2O5,spaceGroup:P-1,id:mp-768890} |
| RD_821114389757_000 | computation | Reference Data From Materials Project: {formula:Li5BO4,spaceGroup:Pbca,id:mp-768966} |
| RD_821122346785_000 | computation | BC in AFLOW crystal prototype AB5_oI12_44_a_b2c. 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_822108858109_000 | computation | Reference Data From Materials Project: {formula:CsB10H13C,spaceGroup:P2_1/c,id:mp-759303} |
| RD_822488170600_000 | computation | Reference Data From Materials Project: {formula:GdBPd3,spaceGroup:Pm-3m,id:mp-20967} |
| RD_822828806905_000 | computation | Reference Data From Materials Project: {formula:Li3B5(HO5)2,spaceGroup:P4_12_12,id:mp-707105} |
| RD_822857131133_000 | computation | Reference Data From Materials Project: {formula:LaCd(BO2)5,spaceGroup:P2_1/c,id:mp-14555} |
| RD_822886345465_000 | computation | Reference Data From Materials Project: {formula:Er3Ni7B2,spaceGroup:P6_3/mmc,id:mp-17168} |
| RD_823202019751_000 | computation | Reference Data From Materials Project: {formula:CeB2C,spaceGroup:R-3m,id:mp-8667} |
| RD_823273015887_000 | computation | Reference Data From Materials Project: {formula:TmBPd3,spaceGroup:Pm-3m,id:mp-10134} |
| RD_823276656011_000 | computation | Reference Data From Materials Project: {formula:Gd(BO2)3,spaceGroup:C2/c,id:mp-11711} |
| RD_823533065813_000 | computation | Reference Data From Materials Project: {formula:B9H11,spaceGroup:Pnaa,id:mp-29654} |
| RD_823991449722_000 | computation | Reference Data From Materials Project: {formula:KHg2B,spaceGroup:F-43m,id:mp-631525} |
| RD_824118009242_000 | computation | Reference Data From Materials Project: {formula:LiCuBO3,spaceGroup:Cc,id:mp-753471} |
| RD_824279411003_000 | computation | Reference Data From Materials Project: {formula:PuB2,spaceGroup:P6/mmm,id:mp-580} |
| RD_824957348151_000 | computation | Reference Data From Materials Project: {formula:BH9(CO)3,spaceGroup:P6_3/m,id:mp-558506} |
| RD_825212669896_000 | computation | Reference Data From Materials Project: {formula:B10H13,spaceGroup:I4_1cd,id:mp-29292} |
| RD_825335173470_000 | computation | Reference Data From Materials Project: {formula:GdFeB4,spaceGroup:Pbam,id:mp-866656} |
| RD_825539456999_000 | computation | Reference Data From Materials Project: {formula:LiFeB2O5,spaceGroup:P2_1/c,id:mp-771077} |
| RD_826086402217_000 | computation | Reference Data From Materials Project: {formula:LuB2Os3,spaceGroup:P6/mmm,id:mp-2880} |
| RD_826401628821_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-780938} |
| RD_826943601075_000 | computation | Reference Data From Materials Project: {formula:Sr2Be2B2O7,spaceGroup:P-6c2,id:mp-556498} |
| RD_827232638160_000 | computation | Reference Data From Materials Project: {formula:Dy3BWO9,spaceGroup:P6_3,id:mp-645246} |
| RD_827494601261_000 | computation | Reference Data From Materials Project: {formula:LiVBO4,spaceGroup:I-4,id:mp-770986} |
| RD_827797400947_000 | computation | Reference Data From Materials Project: {formula:Ho(CoB)2,spaceGroup:I4/mmm,id:mp-573995} |
| RD_827964877050_000 | computation | Reference Data From Materials Project: {formula:YB2C,spaceGroup:P4_2/mbc,id:mp-9880} |
| RD_827996864370_000 | computation | Reference Data From Materials Project: {formula:NbTl(BO3)2,spaceGroup:Pbn2_1,id:mp-559057} |
| RD_828224899508_000 | computation | BC in AFLOW crystal prototype AB5_hP6_156_a_a2b2c. 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_828696791226_000 | computation | Reference Data From Materials Project: {formula:La3BWO9,spaceGroup:P6_3,id:mp-614369} |
| RD_828891321842_000 | computation | Reference Data From Materials Project: {formula:RbB5O8,spaceGroup:Pbca,id:mp-561814} |
| RD_828902573057_000 | computation | Reference Data From Materials Project: {formula:Mn3B7IO13,spaceGroup:Pbc2_1,id:mp-31917} |
| RD_829486852948_000 | computation | Reference Data From Materials Project: {formula:CeB2Rh3,spaceGroup:P6/mmm,id:mp-5757} |
| RD_830496023551_000 | computation | Reference Data From Materials Project: {formula:Be2B,spaceGroup:Fm-3m,id:mp-1432} |
| RD_830687652508_000 | computation | Reference Data From Materials Project: {formula:Ni3B,spaceGroup:Pbnm,id:mp-2058} |
| RD_831289091851_000 | computation | Reference Data From Materials Project: {formula:BaB8O13,spaceGroup:P4_122,id:mp-27794} |
| RD_831299333063_000 | computation | Reference Data From Materials Project: {formula:LiFeB2O5,spaceGroup:P2_1/c,id:mp-777105} |
| RD_831333810087_000 | computation | Reference Data From Materials Project: {formula:Li2BiBO4,spaceGroup:Pmnb,id:mp-768292} |
| RD_831527397448_000 | computation | Reference Data From Materials Project: {formula:MgAlBO4,spaceGroup:Pcmn,id:mp-8376} |
| RD_831768178733_000 | computation | Reference Data From Materials Project: {formula:Li2BPCO7,spaceGroup:P2_1/m,id:mp-756641} |
| RD_832823710997_000 | computation | Reference Data From Materials Project: {formula:Na2SnBPO7,spaceGroup:P2_1/m,id:mp-768592} |
| RD_832982261387_000 | computation | Reference Data From Materials Project: {formula:KFeBP2HO9,spaceGroup:P-1,id:mp-635134} |
| RD_833212468593_000 | computation | Reference Data From Materials Project: {formula:BaB6,spaceGroup:Pm-3m,id:mp-954} |
| RD_833269260863_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_833299001520_000 | computation | Reference Data From Materials Project: {formula:Bi4(BO4)3,spaceGroup:I-43d,id:mp-769052} |
| RD_833351337268_000 | computation | Reference Data From Materials Project: {formula:Na2BeB2O5,spaceGroup:C2/c,id:mp-16737} |
| RD_833493818267_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764529} |
| RD_833513925003_000 | computation | Reference Data From Materials Project: {formula:K(BH)3,spaceGroup:Fm-3m,id:mp-23950} |
| RD_833681534866_000 | computation | Reference Data From Materials Project: {formula:HfB2,spaceGroup:P6/mmm,id:mp-1994} |
| RD_833842080869_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-853270} |
| RD_834237150888_000 | computation | BN in AFLOW crystal prototype AB_hP4_187_ad_be. 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_834307883474_000 | computation | B in AFLOW crystal prototype A_tP50_134_a2m2n. 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_835326696699_000 | computation | Reference Data From Materials Project: {formula:Ce3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-16083} |
| RD_835697703116_000 | computation | Reference Data From Materials Project: {formula:DyBC,spaceGroup:Cmmm,id:mp-9936} |
| RD_836086516221_000 | computation | Reference Data From Materials Project: {formula:TaB2,spaceGroup:P6/mmm,id:mp-1108} |
| RD_836137535219_000 | computation | Reference Data From Materials Project: {formula:Tm3ReB7,spaceGroup:Cmcm,id:mp-865404} |
| RD_837243031887_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-850921} |
| RD_837414828984_000 | computation | Reference Data From Materials Project: {formula:U(BO3)2,spaceGroup:C2/c,id:mp-31013} |
| RD_837572261428_000 | computation | Reference Data From Materials Project: {formula:UB2Ru3,spaceGroup:P6/mmm,id:mp-10137} |
| RD_837836969810_000 | computation | Reference Data From Materials Project: {formula:B5H11N2,spaceGroup:C2/c,id:mp-27892} |
| RD_838198548918_000 | computation | BH in AFLOW crystal prototype AB3_aP16_2_2i_6i. 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_839078278797_000 | computation | Reference Data From Materials Project: {formula:Mg8BPt4,spaceGroup:Fd-3m,id:mp-568681} |
| RD_839148147445_000 | computation | Reference Data From Materials Project: {formula:B4C,spaceGroup:R-3m,id:mp-571655} |
| RD_839232739855_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P-6m2,id:mp-604884} |
| RD_839233903301_000 | computation | Reference Data From Materials Project: {formula:ErB4Rh,spaceGroup:Pmcb,id:mp-13342} |
| RD_839486785715_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-850362} |
| RD_839795226242_000 | computation | Reference Data From Materials Project: {formula:Ce(BRu)2,spaceGroup:Fddd,id:mp-15588} |
| RD_840014261052_000 | computation | BO in AFLOW crystal prototype A2B_mC12_12_2i_i. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_840218404481_000 | computation | Reference Data From Materials Project: {formula:Ba2B5ClO9,spaceGroup:P2nn,id:mp-555742} |
| RD_840533303430_000 | computation | Reference Data From Materials Project: {formula:B4C,spaceGroup:R-3m,id:mp-8035} |
| RD_841051114029_000 | computation | Reference Data From Materials Project: {formula:ThB12,spaceGroup:Fm-3m,id:mp-12570} |
| RD_841448757063_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-778690} |
| RD_841666505105_000 | computation | Reference Data From Materials Project: {formula:Li7Mn8(BO3)8,spaceGroup:P1,id:mp-850775} |
| RD_841701001616_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764515} |
| RD_841796576230_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-850429} |
| RD_842194261243_000 | computation | Reference Data From Materials Project: {formula:Ti6Si2B,spaceGroup:P-62m,id:mp-11750} |
| RD_842352240682_000 | computation | Reference Data From Materials Project: {formula:Li3Bi(BO3)2,spaceGroup:P-1,id:mp-768738} |
| RD_842563472252_000 | computation | Reference Data From Materials Project: {formula:Na6Mn2B4PO16,spaceGroup:Fd3,id:mp-853193} |
| RD_842648942749_000 | computation | Reference Data From Materials Project: {formula:B3H7N,spaceGroup:P2_1/c,id:mp-696812} |
| RD_842820677293_000 | computation | Reference Data From Materials Project: {formula:Sn5(BIr3)2,spaceGroup:P-62m,id:mp-28998} |
| RD_842988205864_000 | computation | Reference Data From Materials Project: {formula:Li5Mn8(BO3)8,spaceGroup:P1,id:mp-780112} |
| RD_843296649632_000 | computation | Reference Data From Materials Project: {formula:BCl,spaceGroup:P4_2/nmc,id:mp-567944} |
| RD_843503760487_000 | computation | Reference Data From Materials Project: {formula:Ba(BO2)2,spaceGroup:R-3c,id:mp-540659} |
| RD_843813171909_000 | computation | Reference Data From Materials Project: {formula:Zn5(BRh2)4,spaceGroup:Cmmm,id:mp-569759} |
| RD_843824911488_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-779870} |
| RD_843960114597_000 | computation | Reference Data From Materials Project: {formula:CrB2,spaceGroup:P6/mmm,id:mp-374} |
| RD_845132836737_000 | computation | Reference Data From Materials Project: {formula:ZnBi2B2O7,spaceGroup:P2cb,id:mp-555880} |
| RD_845320383851_000 | computation | Reference Data From Materials Project: {formula:Sm2B4O9,spaceGroup:P-1,id:mp-768280} |
| RD_845638910344_000 | computation | Reference Data From Materials Project: {formula:La3Ni2B2N3,spaceGroup:I4/mmm,id:mp-6114} |
| RD_845709741890_000 | computation | Reference Data From Materials Project: {formula:Ba3(BN2)2,spaceGroup:P2_12_12_1,id:mp-30905} |
| RD_845781241439_000 | computation | Reference Data From Materials Project: {formula:Be2BHO4,spaceGroup:Pbca,id:mp-23883} |
| RD_846366275607_000 | computation | Reference Data From Materials Project: {formula:Ba2YB2ClO6,spaceGroup:P2_1/m,id:mp-866310} |
| RD_846479331085_000 | computation | Reference Data From Materials Project: {formula:Mg2BP3(H3O7)2,spaceGroup:P2_12_12_1,id:mp-553891} |
| RD_846796669961_000 | computation | Reference Data From Materials Project: {formula:EuB2Rh3,spaceGroup:P6/mmm,id:mp-21127} |
| RD_846820525522_000 | computation | Reference Data From Materials Project: {formula:B3H12CN4O,spaceGroup:P-1,id:mp-699467} |
| RD_846827009367_000 | computation | Reference Data From Materials Project: {formula:Ga2BSb,spaceGroup:Fm-3m,id:mp-631553} |
| RD_847283009887_000 | computation | Reference Data From Materials Project: {formula:Li5Mn8(BO3)8,spaceGroup:P1,id:mp-777473} |
| RD_847330971157_000 | computation | Reference Data From Materials Project: {formula:LiB13C2,spaceGroup:Imcm,id:mp-655591} |
| RD_847484618870_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P1,id:mp-779211} |
| RD_847600907335_000 | computation | Reference Data From Materials Project: {formula:Na3B(PO4)2,spaceGroup:C2/c,id:mp-559783} |
| RD_847910471010_000 | computation | Reference Data From Materials Project: {formula:HoB2,spaceGroup:P6/mmm,id:mp-2267} |
| RD_848389392625_000 | computation | Reference Data From Materials Project: {formula:NaSi3BO8,spaceGroup:P-1,id:mp-696416} |
| RD_848445629250_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764525} |
| RD_849226064497_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764520} |
| RD_849458680043_000 | computation | Reference Data From Materials Project: {formula:ErBRh3,spaceGroup:Pm-3m,id:mp-3769} |
| RD_849527881875_000 | computation | Reference Data From Materials Project: {formula:CaBi2B2O7,spaceGroup:Pbnm,id:mp-557371} |
| RD_849689848293_000 | computation | Reference Data From Materials Project: {formula:UCo3B2,spaceGroup:P6/mmm,id:mp-10056} |
| RD_849717182659_000 | computation | Reference Data From Materials Project: {formula:ReB2,spaceGroup:P6_3/mmc,id:mp-1773} |
| RD_849747799630_000 | computation | BN in AFLOW crystal prototype AB_hP4_187_ad_be. 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_850470078751_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_850855875365_000 | computation | Reference Data From Materials Project: {formula:KBO2,spaceGroup:R-3c,id:mp-3919} |
| RD_851186583250_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-777251} |
| RD_851216502894_000 | computation | Reference Data From Materials Project: {formula:CuB2(PbO3)2,spaceGroup:P2_1/c,id:mp-554812} |
| RD_851897168718_000 | computation | Reference Data From Materials Project: {formula:BaLi(BS2)3,spaceGroup:Cc,id:mp-557892} |
| RD_851951049688_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-781074} |
| RD_851952417936_000 | computation | Reference Data From Materials Project: {formula:LaReB,spaceGroup:F-43m,id:mp-631508} |
| RD_852112355911_000 | computation | Reference Data From Materials Project: {formula:Li3Mn(BO3)2,spaceGroup:P2_1/c,id:mp-770906} |
| RD_852206254288_000 | computation | Reference Data From Materials Project: {formula:LiB(CN)4,spaceGroup:P-43m,id:mp-13590} |
| RD_852648244037_000 | computation | Reference Data From Materials Project: {formula:Li3V3(BO5)2,spaceGroup:P2_1/c,id:mp-770354} |
| RD_852822328545_000 | computation | Reference Data From Materials Project: {formula:Mn3B7IO13,spaceGroup:F-43c,id:mp-565322} |
| RD_853057279114_000 | computation | Reference Data From Materials Project: {formula:Mg2B2O5,spaceGroup:P2_1/c,id:mp-560772} |
| RD_853412542946_000 | computation | Reference Data From Materials Project: {formula:Li3Bi(BO3)2,spaceGroup:P2_1/c,id:mp-768820} |
| RD_853477465105_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-779783} |
| RD_853698598006_000 | computation | BC in AFLOW crystal prototype A13B2_hR15_166_a2h_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_853830747950_000 | computation | Reference Data From Materials Project: {formula:Ce2Fe14B,spaceGroup:P4_2/mnm,id:mp-4459} |
| RD_853919804992_000 | computation | Reference Data From Materials Project: {formula:Li3VBO5,spaceGroup:P2_1nb,id:mp-770335} |
| RD_854384963311_000 | computation | Reference Data From Materials Project: {formula:MgB3H15O13,spaceGroup:P-1,id:mp-24391} |
| RD_854507070914_000 | computation | Reference Data From Materials Project: {formula:DyB2Ru3,spaceGroup:P6/mmm,id:mp-3092} |
| RD_854823867588_000 | computation | Reference Data From Materials Project: {formula:LiB,spaceGroup:Pmcn,id:mp-16726} |
| RD_855054256540_000 | computation | Reference Data From Materials Project: {formula:LiFe8(BO3)8,spaceGroup:P1,id:mp-850498} |
| RD_855161475172_000 | computation | Reference Data From Materials Project: {formula:Ba2B2O5,spaceGroup:P-1,id:mp-753413} |
| RD_855396862807_000 | computation | Reference Data From Materials Project: {formula:Lu(BC)2,spaceGroup:P4/mbm,id:mp-10858} |
| RD_856100352737_000 | computation | Reference Data From Materials Project: {formula:Li2Sn(BO3)2,spaceGroup:P1,id:mp-778397} |
| RD_856113788116_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_856595727771_000 | computation | Reference Data From Materials Project: {formula:TiB2,spaceGroup:P6/mmm,id:mp-1145} |
| RD_856660968071_000 | computation | Reference Data From Materials Project: {formula:Ca3(BO3)2,spaceGroup:R-3c,id:mp-3575} |
| RD_856919728492_000 | computation | BH in AFLOW crystal prototype AB3_mP16_14_e_3e. 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_856934937107_000 | computation | Reference Data From Materials Project: {formula:B3H7CO,spaceGroup:P1,id:mp-696308} |
| RD_857149218232_000 | computation | Reference Data From Materials Project: {formula:Al6B5(O5F)3,spaceGroup:P6_3/m,id:mp-6738} |
| RD_857268359139_000 | computation | Reference Data From Materials Project: {formula:Ca4Mn3B3CO15,spaceGroup:P6_3,id:mp-566589} |
| RD_857480883638_000 | computation | Reference Data From Materials Project: {formula:Na4(BSe)9,spaceGroup:P2_1/c,id:mp-31229} |
| RD_857607829413_000 | computation | Reference Data From Materials Project: {formula:B8Ru11,spaceGroup:Pmcb,id:mp-505535} |
| RD_857745982726_000 | computation | Reference Data From Materials Project: {formula:Li9Fe4(BO3)8,spaceGroup:P1,id:mp-765246} |
| RD_858040446840_000 | computation | Reference Data From Materials Project: {formula:NaBH4,spaceGroup:Pmcn,id:mp-24810} |
| RD_858703184246_000 | computation | Reference Data From Materials Project: {formula:Mn3B7BrO13,spaceGroup:F-43c,id:mp-567153} |
| RD_858902647073_000 | computation | Reference Data From Materials Project: {formula:PrCo4B,spaceGroup:P6/mmm,id:mp-11610} |
| RD_859067944077_000 | computation | Reference Data From Materials Project: {formula:Ca4LaB3O10,spaceGroup:Cm,id:mp-6076} |
| RD_859220197919_000 | computation | BN in AFLOW crystal prototype AB_tP8_131_j_l. 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_859276986366_000 | computation | Reference Data From Materials Project: {formula:Mn3BO5,spaceGroup:Pmcb,id:mp-541746} |
| RD_859517884399_000 | computation | Reference Data From Materials Project: {formula:Ni23B6,spaceGroup:Fm-3m,id:mp-20962} |
| RD_859861001473_000 | computation | Reference Data From Materials Project: {formula:Na3BiBAsO7,spaceGroup:P2_1/m,id:mp-770475} |
| RD_860930845162_000 | computation | Reference Data From Materials Project: {formula:CsB(CN)4,spaceGroup:I4_1/a,id:mp-13588} |
| RD_860996819646_000 | computation | Reference Data From Materials Project: {formula:MgBP(H3O4)2,spaceGroup:R-3c,id:mp-758868} |
| RD_861053253514_000 | computation | Reference Data From Materials Project: {formula:Cr2B(PO4)3,spaceGroup:P6_3/m,id:mp-565340} |
| RD_861587622430_000 | computation | Reference Data From Materials Project: {formula:K3Ta3(BO6)2,spaceGroup:P-62m,id:mp-9870} |
| RD_862645856595_000 | computation | Reference Data From Materials Project: {formula:Y(BH4)3,spaceGroup:Pa3,id:mp-571369} |
| RD_862916689232_000 | computation | Reference Data From Materials Project: {formula:Yb5Li2B3O13,spaceGroup:P2_1/m,id:mp-555910} |
| RD_863009791329_000 | computation | Reference Data From Materials Project: {formula:LiB2H3O5,spaceGroup:Pncn,id:mp-24560} |
| RD_863056261912_000 | computation | Reference Data From Materials Project: {formula:TiB,spaceGroup:Pmcn,id:mp-7857} |
| RD_863173776951_000 | computation | Reference Data From Materials Project: {formula:CaMgB6H12O17,spaceGroup:P2/c,id:mp-781555} |
| RD_863273901710_000 | computation | Reference Data From Materials Project: {formula:Tl(BH)6,spaceGroup:Fm3,id:mp-23691} |
| RD_863659739734_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P-1,id:mp-850761} |
| RD_863847106606_000 | computation | Reference Data From Materials Project: {formula:RbFeBP2HO9,spaceGroup:P2_1/c,id:mp-25761} |
| RD_863855482702_000 | computation | B in AFLOW crystal prototype A_hR15_166_ac2h. 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_863920433736_000 | computation | BN in AFLOW crystal prototype AB_mC16_9_2a_2a. 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_863945412805_000 | computation | Reference Data From Materials Project: {formula:Y(BRu)4,spaceGroup:I4_1/acd,id:mp-10138} |
| RD_865169012454_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:Pmn2_1,id:mp-770663} |
| RD_865529098089_000 | computation | Reference Data From Materials Project: {formula:ZrB2,spaceGroup:P6/mmm,id:mp-1472} |
| RD_865745169528_000 | computation | Reference Data From Materials Project: {formula:Li3Co(BO3)2,spaceGroup:P2_1/c,id:mp-779853} |
| RD_866056733681_000 | computation | Reference Data From Materials Project: {formula:CdCu2(BO3)2,spaceGroup:P2_1/c,id:mp-560100} |
| RD_866067490245_000 | computation | Reference Data From Materials Project: {formula:Ta4BTe8,spaceGroup:Pmcb,id:mp-505499} |
| RD_866274069514_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-850252} |
| RD_866297078172_000 | computation | Reference Data From Materials Project: {formula:Sc2B6Rh,spaceGroup:Pmcb,id:mp-569116} |
| RD_867086429179_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-766060} |
| RD_867641035459_000 | computation | Reference Data From Materials Project: {formula:Ta3B4,spaceGroup:Immm,id:mp-10142} |
| RD_868304288611_000 | computation | Reference Data From Materials Project: {formula:LiBSbO3,spaceGroup:P-1,id:mp-756853} |
| RD_868470653981_000 | computation | Reference Data From Materials Project: {formula:BH2NCl2,spaceGroup:Pnma,id:mp-720847} |
| RD_868772128622_000 | computation | Reference Data From Materials Project: {formula:Ho9B4O19,spaceGroup:P-1,id:mp-757752} |
| RD_869195605257_000 | computation | Reference Data From Materials Project: {formula:Li6Mn2B4SO16,spaceGroup:Fd3,id:mp-850370} |
| RD_869350465279_000 | computation | Reference Data From Materials Project: {formula:B2H5,spaceGroup:P2_1/c,id:mp-27990} |
| RD_869467970991_000 | computation | Reference Data From Materials Project: {formula:SrAl2B2O7,spaceGroup:R32,id:mp-15939} |
| RD_870507486999_000 | computation | Reference Data From Materials Project: {formula:Zn5B3Ir7,spaceGroup:Pmmb,id:mp-607369} |
| RD_870709643018_000 | computation | Reference Data From Materials Project: {formula:Li3BO3,spaceGroup:P2_1/c,id:mp-27275} |
| RD_870812911410_000 | computation | Reference Data From Materials Project: {formula:Pr2Co7B3,spaceGroup:P6/mmm,id:mp-3867} |
| RD_871142183456_000 | computation | Reference Data From Materials Project: {formula:Cs3B6H12Se4Br,spaceGroup:P6_3mc,id:mp-740711} |
| RD_871224221097_000 | computation | Reference Data From Materials Project: {formula:Al2Re3B,spaceGroup:Fd-3m,id:mp-18503} |
| RD_871388977337_000 | computation | Reference Data From Materials Project: {formula:LiBH4,spaceGroup:Pmcn,id:mp-30209} |
| RD_871501726516_000 | computation | Reference Data From Materials Project: {formula:BTe2As,spaceGroup:Fm-3m,id:mp-631524} |
| RD_871982666735_000 | computation | Reference Data From Materials Project: {formula:YbBa3(BO3)3,spaceGroup:P6_3cm,id:mp-6131} |
| RD_872006276862_000 | computation | Reference Data From Materials Project: {formula:Tb(BO2)3,spaceGroup:Pmcn,id:mp-683867} |
| RD_872280268616_000 | computation | Reference Data From Materials Project: {formula:LaGeBO5,spaceGroup:P3_1,id:mp-19957} |
| RD_872296879559_000 | computation | Reference Data From Materials Project: {formula:Zn3B7ClO13,spaceGroup:R3c,id:mp-23609} |
| RD_872446805689_000 | computation | Reference Data From Materials Project: {formula:U2(Co7B2)3,spaceGroup:Fm-3m,id:mp-541853} |
| RD_873157619212_000 | computation | Reference Data From Materials Project: {formula:NaSiBO4,spaceGroup:P6_3,id:mp-554947} |
| RD_873602734302_000 | computation | Reference Data From Materials Project: {formula:SrBPO5,spaceGroup:P3_121,id:mp-6486} |
| RD_873760451642_000 | computation | Reference Data From Materials Project: {formula:NaCoBP2H2O9,spaceGroup:P2_1/c,id:mp-601388} |
| RD_873959893917_000 | computation | Reference Data From Materials Project: {formula:ErB2Ir3,spaceGroup:P6/mmm,id:mp-5197} |
| RD_874744982099_000 | computation | Reference Data From Materials Project: {formula:YB2Ru3,spaceGroup:P6/mmm,id:mp-4382} |
| RD_875625519211_000 | computation | Reference Data From Materials Project: {formula:PrAl3(BO3)4,spaceGroup:C2/c,id:mp-556804} |
| RD_876085005142_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764614} |
| RD_876163100230_000 | computation | Reference Data From Materials Project: {formula:Na2B4O7,spaceGroup:P-1,id:mp-557423} |
| RD_876204708358_000 | computation | Reference Data From Materials Project: {formula:Sm3B5O12,spaceGroup:Pnma,id:mp-780265} |
| RD_876306236579_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764799} |
| RD_876483263824_000 | computation | Reference Data From Materials Project: {formula:Na2SnBAsO7,spaceGroup:P2_1/m,id:mp-772625} |
| RD_876500405568_000 | computation | Reference Data From Materials Project: {formula:Ca4Mn3B3CO15,spaceGroup:P6_3,id:mp-566589} |
| RD_876533610534_000 | computation | Reference Data From Materials Project: {formula:Li7Mn8(BO3)8,spaceGroup:P1,id:mp-777671} |
| RD_876701025586_000 | computation | Reference Data From Materials Project: {formula:Li11Fe12(BO3)12,spaceGroup:P1,id:mp-769446} |
| RD_876721405296_000 | computation | Reference Data From Materials Project: {formula:B4Rh5,spaceGroup:P6_3/mmc,id:mp-567926} |
| RD_876753499266_000 | computation | Reference Data From Materials Project: {formula:UB2C,spaceGroup:R-3m,id:mp-11332} |
| RD_876758830208_000 | computation | Reference Data From Materials Project: {formula:KCa4B22H18ClO46,spaceGroup:P1,id:mp-722344} |
| RD_876867451018_000 | computation | Reference Data From Materials Project: {formula:Ba2HoB2ClO6,spaceGroup:P2_1/m,id:mp-558195} |
| RD_877035676215_000 | computation | Reference Data From Materials Project: {formula:Ho(BC)2,spaceGroup:P4/mbm,id:mp-20410} |
| RD_877148930118_000 | computation | Reference Data From Materials Project: {formula:La(BO2)3,spaceGroup:P2_1/c,id:mp-561154} |
| RD_877233475138_000 | computation | Reference Data From Materials Project: {formula:GdCo4B,spaceGroup:P6/mmm,id:mp-13268} |
| RD_877343965682_000 | computation | Reference Data From Materials Project: {formula:Ce3Co11B4,spaceGroup:P6/mmm,id:mp-13765} |
| RD_877728592357_000 | computation | Reference Data From Materials Project: {formula:LiB5H2O9,spaceGroup:P2_1/c,id:mp-740714} |
| RD_877807052454_000 | computation | Reference Data From Materials Project: {formula:Lu4B3C4,spaceGroup:P-1,id:mp-567908} |
| RD_878018621923_000 | computation | Reference Data From Materials Project: {formula:Li2FeBPO7,spaceGroup:P2_1/m,id:mp-778767} |
| RD_878286285249_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-850455} |
| RD_878429009659_000 | computation | Reference Data From Materials Project: {formula:Ba3In(BO2)9,spaceGroup:P6_3/m,id:mp-556038} |
| RD_878594977392_000 | computation | Reference Data From Materials Project: {formula:LiCaBO3,spaceGroup:Pcab,id:mp-561237} |
| RD_878978179144_000 | computation | Reference Data From Materials Project: {formula:B,spaceGroup:P1,id:mp-632401} |
| RD_879034763143_000 | computation | Reference Data From Materials Project: {formula:LiMnBO4,spaceGroup:Pmnb,id:mp-769932} |
| RD_879701515113_000 | computation | Reference Data From Materials Project: {formula:Ho4NiB14,spaceGroup:P4/mnc,id:mp-505720} |