An item of "reference data" is an experimental result or a high-accuracy computation (such as using density functional theory (DFT)) for a material property defined in OpenKIM for a particular system (e.g. the {111} surface energy of fcc Cu). Click for more information.
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| Reference Data | Data Method | Description |
|---|---|---|
| RD_320462298399_000 | computation | Reference Data From Materials Project: {formula:Ce6Ge9(BO15)2,spaceGroup:P2_1/c,id:mp-683922} |
| RD_320518711623_000 | computation | Reference Data From Materials Project: {formula:Tl3B3S10,spaceGroup:P-1,id:mp-17823} |
| RD_320619401645_000 | computation | Reference Data From Materials Project: {formula:BRh,spaceGroup:P6_3/mmc,id:mp-567164} |
| RD_321040977375_000 | computation | Reference Data From Materials Project: {formula:YBPt2,spaceGroup:P6_222,id:mp-5971} |
| RD_321138046903_000 | computation | Reference Data From Materials Project: {formula:Sr(BO2)2,spaceGroup:Pa3,id:mp-8878} |
| RD_321202573137_000 | computation | Reference Data From Materials Project: {formula:Ba4Na(BO3)3,spaceGroup:Ia-3d,id:mp-6575} |
| RD_321696227904_000 | computation | Reference Data From Materials Project: {formula:SrB4O7,spaceGroup:P2_1nm,id:mp-5540} |
| RD_321806318381_000 | computation | Reference Data From Materials Project: {formula:Li2MnBO4,spaceGroup:Pmnb,id:mp-771175} |
| RD_321948170548_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-849350} |
| RD_322268870672_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_322305570397_000 | computation | Reference Data From Materials Project: {formula:LiMnBO3,spaceGroup:Pbca,id:mp-771295} |
| RD_322359374083_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-778916} |
| RD_322821739378_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764524} |
| RD_323211059965_000 | computation | Reference Data From Materials Project: {formula:Cd(BO2)2,spaceGroup:P6_3,id:mp-13335} |
| RD_323353862885_000 | computation | Reference Data From Materials Project: {formula:Li3BN2,spaceGroup:P2_1/c,id:mp-5001} |
| RD_325242733737_000 | computation | Reference Data From Materials Project: {formula:B11H9C(Br3O2)2,spaceGroup:P2_1/c,id:mp-707494} |
| RD_325272915988_000 | computation | Reference Data From Materials Project: {formula:Li3B2SbO6,spaceGroup:P2_1/c,id:mp-770288} |
| RD_325287838434_000 | computation | Reference Data From Materials Project: {formula:NaB(H4O)2,spaceGroup:Pcab,id:mp-23784} |
| RD_325687730677_000 | computation | Reference Data From Materials Project: {formula:Pr2(ReB2)3,spaceGroup:C2/c,id:mp-2933} |
| RD_325710222381_000 | computation | Reference Data From Materials Project: {formula:Li4Fe(BO3)2,spaceGroup:Pnnm,id:mp-769681} |
| RD_326147057874_000 | computation | Reference Data From Materials Project: {formula:BC2N,spaceGroup:P2_122,id:mp-30148} |
| RD_326815571841_000 | computation | Reference Data From Materials Project: {formula:B4COF6,spaceGroup:P2_1/c,id:mp-553954} |
| RD_326858329680_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P-1,id:mp-780977} |
| RD_327076294840_000 | computation | Reference Data From Materials Project: {formula:Ca(BRh)2,spaceGroup:Fddd,id:mp-8431} |
| RD_327431924837_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-779411} |
| RD_327493850893_000 | computation | Reference Data From Materials Project: {formula:Ce10(B3C4)3,spaceGroup:P4_12_12,id:mp-569274} |
| RD_327635654787_000 | computation | Reference Data From Materials Project: {formula:Li2Bi5B3O13,spaceGroup:P2_1/m,id:mp-768740} |
| RD_328015861374_000 | computation | Reference Data From Materials Project: {formula:Sc2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-647205} |
| RD_328102108215_000 | computation | Reference Data From Materials Project: {formula:Li5Mn8(BO3)8,spaceGroup:P1,id:mp-778585} |
| RD_328384171121_000 | computation | Reference Data From Materials Project: {formula:RbLi2Cr2(BO3)3,spaceGroup:P2/c,id:mp-770630} |
| RD_328677807996_000 | computation | Reference Data From Materials Project: {formula:BTe3(OF5)3,spaceGroup:P6_3/m,id:mp-561226} |
| RD_328823919024_000 | computation | Reference Data From Materials Project: {formula:LiGd6B3O14,spaceGroup:P2_1/c,id:mp-581285} |
| RD_328859509339_000 | computation | Reference Data From Materials Project: {formula:Gd3Co11B4,spaceGroup:P6/mmm,id:mp-605854} |
| RD_329048344563_000 | computation | Reference Data From Materials Project: {formula:BH3NF4,spaceGroup:P-1,id:mp-697120} |
| RD_329486055758_000 | computation | Reference Data From Materials Project: {formula:CaSi2(BO4)2,spaceGroup:Pmnb,id:mp-6419} |
| RD_329637500232_000 | computation | Reference Data From Materials Project: {formula:Bi(BO2)3,spaceGroup:P2_1/c,id:mp-556548} |
| RD_329720752879_000 | computation | Reference Data From Materials Project: {formula:Sc3InB,spaceGroup:Pm-3m,id:mp-19726} |
| RD_330123777192_000 | computation | Reference Data From Materials Project: {formula:Na2MnBAsO7,spaceGroup:P2_1/m,id:mp-771501} |
| RD_330161186502_000 | computation | Reference Data From Materials Project: {formula:YBO3,spaceGroup:Cmcm,id:mp-29205} |
| RD_330429497366_000 | computation | Reference Data From Materials Project: {formula:GdBPd3,spaceGroup:Pm-3m,id:mp-20967} |
| RD_330452476790_000 | computation | Reference Data From Materials Project: {formula:Sm2B4O9,spaceGroup:C2/c,id:mp-647281} |
| RD_330918970325_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_331105836189_000 | computation | Reference Data From Materials Project: {formula:Sc2VB2Ir5,spaceGroup:P4/mbm,id:mp-20524} |
| RD_331273206145_000 | computation | Reference Data From Materials Project: {formula:LaGeBO5,spaceGroup:P3_1,id:mp-19957} |
| RD_332738754063_000 | computation | Reference Data From Materials Project: {formula:HoBO3,spaceGroup:P-1,id:mp-850193} |
| RD_332847702037_000 | computation | Reference Data From Materials Project: {formula:LiV2BO5,spaceGroup:Pbam,id:mp-770361} |
| RD_333027869359_000 | computation | Reference Data From Materials Project: {formula:KBe2BO3F2,spaceGroup:R32,id:mp-6870} |
| RD_333051394792_000 | computation | Reference Data From Materials Project: {formula:Ni4B3,spaceGroup:C2/c,id:mp-569404} |
| RD_333224110314_000 | computation | Reference Data From Materials Project: {formula:LiB2SbO6,spaceGroup:P2_1/c,id:mp-761862} |
| RD_333544022674_000 | computation | Reference Data From Materials Project: {formula:ZnB4O7,spaceGroup:Cmcm,id:mp-558690} |
| RD_333662259694_000 | computation | Reference Data From Materials Project: {formula:B5F6,spaceGroup:I4_1/a,id:mp-30936} |
| RD_333664863313_000 | computation | Reference Data From Materials Project: {formula:FeBP2H5NO9,spaceGroup:P2_1/c,id:mp-766957} |
| RD_333679493701_000 | computation | Reference Data From Materials Project: {formula:ThB4Mo,spaceGroup:Cmmm,id:mp-5557} |
| RD_333937730905_000 | computation | Reference Data From Materials Project: {formula:Li3CrBAsO7,spaceGroup:P2_1/m,id:mp-772733} |
| RD_334082237173_000 | computation | Reference Data From Materials Project: {formula:Li2VBO4,spaceGroup:P2_1/c,id:mp-770867} |
| RD_334766734105_000 | computation | Reference Data From Materials Project: {formula:Sr3BPO3,spaceGroup:P6_3/mmc,id:mp-9702} |
| RD_334867699332_000 | computation | Reference Data From Materials Project: {formula:Al23B50,spaceGroup:P-1,id:mp-530274} |
| RD_335054080887_000 | computation | Reference Data From Materials Project: {formula:LuB2Ru3,spaceGroup:P6/mmm,id:mp-5578} |
| RD_335583457446_000 | computation | Reference Data From Materials Project: {formula:Na3B5(HO5)2,spaceGroup:Pca2_1,id:mp-722369} |
| RD_335710897156_000 | computation | Reference Data From Materials Project: {formula:Li5Fe3(BO3)4,spaceGroup:Pc,id:mp-767724} |
| RD_335809389111_000 | computation | Reference Data From Materials Project: {formula:Cs3B12H12Cl,spaceGroup:R-3m,id:mp-24799} |
| RD_335898197262_000 | computation | Reference Data From Materials Project: {formula:Pr3BWO9,spaceGroup:P6_3,id:mp-566052} |
| RD_336330909469_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P1,id:mp-850395} |
| RD_336357809017_000 | computation | Reference Data From Materials Project: {formula:LiB(HO2)2,spaceGroup:P2_1/c,id:mp-698205} |
| RD_337294963212_000 | computation | Reference Data From Materials Project: {formula:K(BH)6,spaceGroup:Fm3,id:mp-24239} |
| RD_337822629623_000 | computation | Reference Data From Materials Project: {formula:Ta2B,spaceGroup:I4/mcm,id:mp-1032} |
| RD_337864223973_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764702} |
| RD_337867292091_000 | computation | Reference Data From Materials Project: {formula:ScBIr3,spaceGroup:Pm-3m,id:mp-10113} |
| RD_338188361333_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764514} |
| RD_338717015211_000 | computation | Reference Data From Materials Project: {formula:Ba3Lu(BO2)9,spaceGroup:P6_3/m,id:mp-561253} |
| RD_338771391941_000 | computation | Reference Data From Materials Project: {formula:TbB4,spaceGroup:P4/mbm,id:mp-568225} |
| RD_339011247129_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-778762} |
| RD_339023141371_000 | computation | Reference Data From Materials Project: {formula:TmBO3,spaceGroup:P6_3/mcm,id:mp-17620} |
| RD_339366775946_000 | computation | Reference Data From Materials Project: {formula:Ba3Sc(BO3)3,spaceGroup:P6_3cm,id:mp-14972} |
| RD_339459295999_000 | computation | Reference Data From Materials Project: {formula:BaBe2(BO3)2,spaceGroup:Fddd,id:mp-555070} |
| RD_339741384238_000 | computation | Reference Data From Materials Project: {formula:In2ReB,spaceGroup:Fm-3m,id:mp-631547} |
| RD_339856822592_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Cm,id:mp-779226} |
| RD_340138277609_000 | computation | Reference Data From Materials Project: {formula:Sm2Co7B3,spaceGroup:P6/mmm,id:mp-505207} |
| RD_340680857692_000 | computation | Reference Data From Materials Project: {formula:Li6Mn5Fe(BO3)6,spaceGroup:Cm,id:mp-850228} |
| RD_340913062136_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764567} |
| RD_341395641969_000 | computation | Reference Data From Materials Project: {formula:BPO4,spaceGroup:P3_121,id:mp-11653} |
| RD_341442242299_000 | computation | Reference Data From Materials Project: {formula:LiB(CN)4,spaceGroup:P-43m,id:mp-13590} |
| RD_341558106428_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-779867} |
| RD_341595781600_000 | computation | Reference Data From Materials Project: {formula:Sn2BSe,spaceGroup:Fm-3m,id:mp-631557} |
| RD_341900941482_000 | computation | Reference Data From Materials Project: {formula:LiMnBO3,spaceGroup:P-6,id:mp-769721} |
| RD_342284932935_000 | computation | Reference Data From Materials Project: {formula:LiMnBO3,spaceGroup:P2_1/c,id:mp-849500} |
| RD_342317235520_000 | computation | Reference Data From Materials Project: {formula:BPt3,spaceGroup:P6_3/mmc,id:mp-861943} |
| RD_342352422247_000 | computation | Reference Data From Materials Project: {formula:AlAgB,spaceGroup:F-43m,id:mp-631568} |
| RD_342358383286_000 | computation | Reference Data From Materials Project: {formula:B2H10C2NClO3,spaceGroup:P-1,id:mp-554598} |
| RD_342566037237_000 | computation | Reference Data From Materials Project: {formula:KBIr2,spaceGroup:Fm-3m,id:mp-631536} |
| RD_342695485556_000 | computation | Reference Data From Materials Project: {formula:Ba4Sm7Si12BN27,spaceGroup:P-6,id:mp-693655} |
| RD_342975261834_000 | computation | Reference Data From Materials Project: {formula:NbNi2BO6,spaceGroup:Pcmn,id:mp-608320} |
| RD_343502555386_000 | computation | Reference Data From Materials Project: {formula:Na6V2B4AsO16,spaceGroup:Fd3,id:mp-850371} |
| RD_343521957592_000 | computation | Reference Data From Materials Project: {formula:CeBC,spaceGroup:P2_12_12_1,id:mp-639306} |
| RD_343630421510_000 | computation | Reference Data From Materials Project: {formula:Er3Ni7B2,spaceGroup:P6_3/mmc,id:mp-17168} |
| RD_343997373890_000 | computation | Reference Data From Materials Project: {formula:Ba3Lu(BO2)9,spaceGroup:P6_3/m,id:mp-561253} |
| RD_344051618456_000 | computation | Reference Data From Materials Project: {formula:Li2SiBSbO7,spaceGroup:P2_1/m,id:mp-772132} |
| RD_344088026284_000 | computation | Reference Data From Materials Project: {formula:BaSiB,spaceGroup:F-43m,id:mp-631544} |
| RD_344537708985_000 | computation | Reference Data From Materials Project: {formula:TbBS3,spaceGroup:Pna2_1,id:mp-867286} |
| RD_344730569473_000 | computation | Reference Data From Materials Project: {formula:LiMgB3(H9N)2,spaceGroup:P6_3,id:mp-866665} |
| RD_344919684147_000 | computation | Reference Data From Materials Project: {formula:Ba2Na2B10H2O19,spaceGroup:C2,id:mp-697960} |
| RD_345650432057_000 | computation | BHf in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_346291820038_000 | computation | Reference Data From Materials Project: {formula:Na3B3H2O7,spaceGroup:Pnma,id:mp-720583} |
| RD_346505249610_000 | computation | Reference Data From Materials Project: {formula:ErFe4B,spaceGroup:P6/mmm,id:mp-3045} |
| RD_346551025004_000 | computation | Reference Data From Materials Project: {formula:BMo2C,spaceGroup:Cmcm,id:mp-4472} |
| RD_346583583182_000 | computation | Reference Data From Materials Project: {formula:TmB4,spaceGroup:P4/mbm,id:mp-568143} |
| RD_347102854837_000 | computation | Reference Data From Materials Project: {formula:Tb3BWO9,spaceGroup:P6_3,id:mp-645218} |
| RD_347263760184_000 | computation | Reference Data From Materials Project: {formula:Nb3B4,spaceGroup:Immm,id:mp-10255} |
| RD_347346675394_000 | computation | Reference Data From Materials Project: {formula:Ba3Lu(BO3)3,spaceGroup:P6_3cm,id:mp-14386} |
| RD_347483806728_000 | computation | Reference Data From Materials Project: {formula:Li3Bi(BO3)2,spaceGroup:P2_1/c,id:mp-768771} |
| RD_347514872496_000 | computation | Reference Data From Materials Project: {formula:Ba5B20(H2O19)2,spaceGroup:P2,id:mp-703591} |
| RD_347558384695_000 | computation | Reference Data From Materials Project: {formula:MgB3H15O13,spaceGroup:P2_1/c,id:mp-706339} |
| RD_347910933268_000 | computation | Reference Data From Materials Project: {formula:Li6MnFe5(BO3)6,spaceGroup:P1,id:mp-781067} |
| RD_347911078922_000 | computation | Reference Data From Materials Project: {formula:Li2BPt3,spaceGroup:P4_332,id:mp-20234} |
| RD_348161356928_000 | computation | Reference Data From Materials Project: {formula:Er2Fe14B,spaceGroup:P4_2/mnm,id:mp-3680} |
| RD_348626746795_000 | computation | Reference Data From Materials Project: {formula:Ca2B4Rh5,spaceGroup:Fmmm,id:mp-8895} |
| RD_348650802427_000 | computation | Reference Data From Materials Project: {formula:ErB2Rh3,spaceGroup:P6/mmm,id:mp-5678} |
| RD_349175762379_000 | computation | Reference Data From Materials Project: {formula:Ca3BN3,spaceGroup:P4/mmm,id:mp-30315} |
| RD_349439329365_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764656} |
| RD_349705987507_000 | computation | Reference Data From Materials Project: {formula:Pr5(CoB3)2,spaceGroup:R-3m,id:mp-7735} |
| RD_349876453341_000 | computation | Reference Data From Materials Project: {formula:LaB5O9,spaceGroup:P2_1/c,id:mp-30926} |
| RD_350107076971_000 | computation | Reference Data From Materials Project: {formula:CsZr6BI14,spaceGroup:Cmce,id:mp-571410} |
| RD_350202006462_000 | computation | Reference Data From Materials Project: {formula:Cd(BO2)2,spaceGroup:P6_3,id:mp-13335} |
| RD_351188492838_000 | computation | Reference Data From Materials Project: {formula:Gd3BWO9,spaceGroup:P6_3,id:mp-565583} |
| RD_351310560136_000 | computation | Reference Data From Materials Project: {formula:Sr4Li(BN2)3,spaceGroup:Im-3m,id:mp-9723} |
| RD_351664649289_000 | computation | Reference Data From Materials Project: {formula:BPd2Br,spaceGroup:F-43m,id:mp-631580} |
| RD_353149197065_000 | computation | Reference Data From Materials Project: {formula:ScB2,spaceGroup:P6/mmm,id:mp-2252} |
| RD_353236610850_000 | computation | Reference Data From Materials Project: {formula:ErB2Ru3,spaceGroup:P6/mmm,id:mp-3093} |
| RD_353705577576_000 | computation | Reference Data From Materials Project: {formula:Na6Bi2B4PO16,spaceGroup:Fd3,id:mp-780229} |
| RD_354286506443_000 | computation | Reference Data From Materials Project: {formula:U2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-10130} |
| RD_354299067394_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-850449} |
| RD_354553957493_000 | computation | Reference Data From Materials Project: {formula:LiVB2O5,spaceGroup:P2_1/c,id:mp-770339} |
| RD_354919049594_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-779341} |
| RD_355226624580_000 | computation | Reference Data From Materials Project: {formula:GdNi(BO2)5,spaceGroup:P2_1/c,id:mp-541466} |
| RD_355337279166_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_355587468283_000 | computation | Reference Data From Materials Project: {formula:Nd5Co19B6,spaceGroup:P6/mmm,id:mp-569415} |
| RD_355925430238_000 | computation | Reference Data From Materials Project: {formula:Nd2Fe14B,spaceGroup:P4_2/mnm,id:mp-5182} |
| RD_356537607712_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_356616631283_000 | computation | Reference Data From Materials Project: {formula:LiCuBO3,spaceGroup:P-6,id:mp-756867} |
| RD_356993168280_000 | computation | Reference Data From Materials Project: {formula:LiVBO4,spaceGroup:Pnam,id:mp-769715} |
| RD_357059057720_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Cm,id:mp-850437} |
| RD_357247530732_000 | computation | Reference Data From Materials Project: {formula:Ce5B4C5,spaceGroup:Pc2_1n,id:mp-680054} |
| RD_357352171955_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764464} |
| RD_357385643025_000 | computation | Reference Data From Materials Project: {formula:Zr6BCl14,spaceGroup:Cmce,id:mp-29358} |
| RD_357427090268_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-849373} |
| RD_357601930038_000 | computation | Reference Data From Materials Project: {formula:Li3V(BO3)2,spaceGroup:P2_1/c,id:mp-772630} |
| RD_357834084714_000 | computation | Reference Data From Materials Project: {formula:UBN,spaceGroup:Cmcm,id:mp-5311} |
| RD_357934363098_000 | computation | Reference Data From Materials Project: {formula:Rb3BS3,spaceGroup:P2_1/c,id:mp-29977} |
| RD_358013772526_000 | computation | Reference Data From Materials Project: {formula:SrAgB7O12,spaceGroup:C2/c,id:mp-554259} |
| RD_358088516449_000 | computation | BO in AFLOW crystal prototype A2B3_hP15_144_2a_3a. 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_358172028628_000 | computation | Reference Data From Materials Project: {formula:ScBIr3,spaceGroup:Pm-3m,id:mp-10113} |
| RD_358352789725_000 | computation | Reference Data From Materials Project: {formula:Rb3B7O12,spaceGroup:P-1,id:mp-30127} |
| RD_358376191055_000 | computation | Reference Data From Materials Project: {formula:B9H11C2,spaceGroup:C2/c,id:mp-28052} |
| RD_358551697063_000 | computation | Reference Data From Materials Project: {formula:Ti2BRh6,spaceGroup:Fm-3m,id:mp-571126} |
| RD_358812803850_000 | computation | Reference Data From Materials Project: {formula:Co21(B3W)2,spaceGroup:Fm-3m,id:mp-672221} |
| RD_360068270636_000 | computation | Reference Data From Materials Project: {formula:DyBO3,spaceGroup:C2cm,id:mp-753318} |
| RD_360894927694_000 | computation | Reference Data From Materials Project: {formula:HfB,spaceGroup:Fm-3m,id:mp-345} |
| RD_361122240486_000 | computation | Reference Data From Materials Project: {formula:ErBPd3,spaceGroup:Pm-3m,id:mp-10061} |
| RD_361459050204_000 | computation | Reference Data From Materials Project: {formula:UB4W,spaceGroup:Pbam,id:mp-865423} |
| RD_361670518581_000 | computation | Reference Data From Materials Project: {formula:Li3FeBO5,spaceGroup:P2_1nb,id:mp-771078} |
| RD_361910368235_000 | computation | Reference Data From Materials Project: {formula:B36O5,spaceGroup:P-1,id:mp-32715} |
| RD_361991720932_000 | computation | Reference Data From Materials Project: {formula:GdBO3,spaceGroup:R32,id:mp-29762} |
| RD_363183688471_000 | computation | Reference Data From Materials Project: {formula:Sc3B2Rh5,spaceGroup:P4/mbm,id:mp-542020} |
| RD_363240346865_000 | computation | Reference Data From Materials Project: {formula:Li6Mn5Fe(BO3)6,spaceGroup:Pm,id:mp-779891} |
| RD_363250538420_000 | computation | Reference Data From Materials Project: {formula:GdFe3(BO3)4,spaceGroup:P3_121,id:mp-585750} |
| RD_363521975042_000 | computation | Reference Data From Materials Project: {formula:Na6B4Sb2SO16,spaceGroup:Fd3,id:mp-780353} |
| RD_363555675436_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:Cm,id:mp-850433} |
| RD_363795942807_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764796} |
| RD_363945125441_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-780105} |
| RD_364307486699_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P-1,id:mp-850898} |
| RD_365072919364_000 | computation | Reference Data From Materials Project: {formula:B2Se2O7,spaceGroup:P2_12_12_1,id:mp-558521} |
| RD_365770990779_000 | computation | Reference Data From Materials Project: {formula:B4W,spaceGroup:P6_3/mmc,id:mp-29651} |
| RD_365862037031_000 | computation | Reference Data From Materials Project: {formula:Mn2BO4,spaceGroup:P2_1/c,id:mp-32009} |
| RD_366121523026_000 | computation | Reference Data From Materials Project: {formula:Na3Bi(BO3)2,spaceGroup:P2_1/c,id:mp-775830} |
| RD_366561516300_000 | computation | Reference Data From Materials Project: {formula:Sc3BPb,spaceGroup:Pm-3m,id:mp-10133} |
| RD_366784611742_000 | computation | Reference Data From Materials Project: {formula:LiMnB3(HO3)3,spaceGroup:Pbcn,id:mp-779852} |
| RD_367037491806_000 | computation | Reference Data From Materials Project: {formula:AlB2Pb,spaceGroup:F-43m,id:mp-631514} |
| RD_367168410519_000 | computation | Reference Data From Materials Project: {formula:Li11Mn12(BO3)12,spaceGroup:P1,id:mp-767849} |
| RD_367412822225_000 | computation | Reference Data From Materials Project: {formula:MnB4,spaceGroup:Immm,id:mp-1010} |
| RD_367847210891_000 | computation | Reference Data From Materials Project: {formula:BTe2As,spaceGroup:Fm-3m,id:mp-631524} |
| RD_368341985244_000 | computation | Reference Data From Materials Project: {formula:MgUB2O7,spaceGroup:Pcmb,id:mp-557384} |
| RD_368461133381_000 | computation | Reference Data From Materials Project: {formula:BeReB,spaceGroup:F-43m,id:mp-631537} |
| RD_368840814320_000 | computation | Reference Data From Materials Project: {formula:BeGeB,spaceGroup:F-43m,id:mp-631541} |
| RD_368916189726_000 | computation | Reference Data From Materials Project: {formula:LaSiBO5,spaceGroup:P3_121,id:mp-6267} |
| RD_368987793896_000 | computation | Reference Data From Materials Project: {formula:TbVB4,spaceGroup:Pbam,id:mp-867309} |
| RD_369064869518_000 | computation | Reference Data From Materials Project: {formula:B5W2,spaceGroup:P6_3/mmc,id:mp-570938} |
| RD_369081136046_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-850435} |
| RD_369270933130_000 | computation | Reference Data From Materials Project: {formula:Cr3B7IO13,spaceGroup:F-43c,id:mp-566772} |
| RD_369585992819_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-779381} |
| RD_369618533389_000 | computation | Reference Data From Materials Project: {formula:Dy(BC)2,spaceGroup:P4_2/mmc,id:mp-20814} |
| RD_369780027924_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-850446} |
| RD_370225456422_000 | computation | Reference Data From Materials Project: {formula:NaCa4(BO3)3,spaceGroup:C2cm,id:mp-554240} |
| RD_371454822323_000 | computation | Reference Data From Materials Project: {formula:Sr2Sc2B4O11,spaceGroup:P-1,id:mp-556123} |
| RD_371463807213_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:Cc,id:mp-778029} |
| RD_372475850159_000 | computation | Reference Data From Materials Project: {formula:U(CoB)4,spaceGroup:P4_2/nmc,id:mp-505343} |
| RD_372575084608_000 | computation | Reference Data From Materials Project: {formula:SrBe2(BO3)2,spaceGroup:P2_1/c,id:mp-558981} |
| RD_373117956835_000 | computation | Reference Data From Materials Project: {formula:Sr5B3O9F,spaceGroup:Pnam,id:mp-560818} |
| RD_373626146012_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764489} |
| RD_374036990505_000 | computation | Reference Data From Materials Project: {formula:B13N2,spaceGroup:R-3m,id:mp-534} |
| RD_374133878151_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764941} |
| RD_374314919922_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-779804} |
| RD_374664363245_000 | computation | Reference Data From Materials Project: {formula:Li5BO4,spaceGroup:Pbca,id:mp-768960} |
| RD_374789285784_000 | computation | Reference Data From Materials Project: {formula:LiMnBO3,spaceGroup:P2_1/c,id:mp-769939} |
| RD_375864070620_000 | computation | Reference Data From Materials Project: {formula:YB2,spaceGroup:P6/mmm,id:mp-1542} |
| RD_377925602684_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-850072} |
| RD_378440862043_000 | computation | Reference Data From Materials Project: {formula:Ni8Ge2B3,spaceGroup:Pmnm,id:mp-22703} |
| RD_378465868955_000 | computation | Reference Data From Materials Project: {formula:Sc7BCl12,spaceGroup:R-3,id:mp-505489} |
| RD_378756034758_000 | computation | Reference Data From Materials Project: {formula:Na3MnBSO7,spaceGroup:P2_1/m,id:mp-773188} |
| RD_378827635760_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-850172} |
| RD_379153617532_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-778883} |
| RD_379203766266_000 | computation | Reference Data From Materials Project: {formula:RbLi2Mn2(BO3)3,spaceGroup:P2/c,id:mp-770725} |
| RD_379315401458_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-849347} |
| RD_379580354087_000 | computation | Reference Data From Materials Project: {formula:Na3B5S9,spaceGroup:I4_1/acd,id:mp-29000} |
| RD_380503961376_000 | computation | Reference Data From Materials Project: {formula:Mg8BPt4,spaceGroup:Fd-3m,id:mp-568681} |
| RD_380654948457_000 | computation | Reference Data From Materials Project: {formula:Li6Bi2B4SO16,spaceGroup:Fd3,id:mp-779482} |
| RD_380821250302_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P-1,id:mp-851043} |
| RD_381679379025_000 | computation | Reference Data From Materials Project: {formula:B3H60C16(NO)12,spaceGroup:P-43m,id:mp-677715} |
| RD_381737101276_000 | computation | Reference Data From Materials Project: {formula:Cr2B(PO4)3,spaceGroup:P6_3/m,id:mp-565340} |
| RD_381829924937_000 | computation | Reference Data From Materials Project: {formula:Ca(BO2)2,spaceGroup:Pa3,id:mp-13827} |
| RD_381898929947_000 | computation | Reference Data From Materials Project: {formula:Li3FeB8O15,spaceGroup:P2_1/c,id:mp-777245} |
| RD_383422966812_000 | computation | Reference Data From Materials Project: {formula:DyB6,spaceGroup:Pm-3m,id:mp-568319} |
| RD_384274089142_000 | computation | Reference Data From Materials Project: {formula:Fe(BMo)2,spaceGroup:P4/mbm,id:mp-20278} |
| RD_384490414158_000 | computation | Reference Data From Materials Project: {formula:Zn3(BO3)2,spaceGroup:P-1,id:mp-557683} |
| RD_384780437905_000 | computation | Reference Data From Materials Project: {formula:NdBRh3,spaceGroup:Pm-3m,id:mp-3591} |
| RD_384801100885_000 | computation | Reference Data From Materials Project: {formula:B6As,spaceGroup:R-3m,id:mp-624} |
| RD_384937202688_000 | computation | Reference Data From Materials Project: {formula:B6O,spaceGroup:R-3m,id:mp-1346} |
| RD_385748083543_000 | computation | Reference Data From Materials Project: {formula:Mg3B2H9SO13F,spaceGroup:Pnma,id:mp-707774} |
| RD_386566866619_000 | computation | Reference Data From Materials Project: {formula:YB4Mo,spaceGroup:Pmcb,id:mp-7691} |
| RD_386783221331_000 | computation | Reference Data From Materials Project: {formula:K4(BSe)9,spaceGroup:Cm,id:mp-680747} |
| RD_387299245003_000 | computation | Reference Data From Materials Project: {formula:LiNiBO3,spaceGroup:P1,id:mp-777201} |
| RD_387416712503_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764652} |
| RD_387425192578_000 | computation | Reference Data From Materials Project: {formula:BH5C4(N2O)2,spaceGroup:Pnn2,id:mp-706227} |
| RD_388400341133_000 | computation | Reference Data From Materials Project: {formula:Mn3B7ClO13,spaceGroup:Pca2_1,id:mp-566077} |
| RD_388562523824_000 | computation | Reference Data From Materials Project: {formula:LuB2C,spaceGroup:P4_2/mbc,id:mp-15706} |
| RD_388987808610_000 | computation | Reference Data From Materials Project: {formula:RbNb(BO3)2,spaceGroup:Pc,id:mp-556808} |
| RD_389483400518_000 | computation | Reference Data From Materials Project: {formula:Sr3Y(BO3)3,spaceGroup:R-3,id:mp-17025} |
| RD_389577223140_000 | computation | Reference Data From Materials Project: {formula:Cr2(Co7B2)3,spaceGroup:Fm-3m,id:mp-542727} |
| RD_389950323793_000 | computation | Reference Data From Materials Project: {formula:PrB2Pt2C,spaceGroup:I4/mmm,id:mp-12986} |
| RD_391154843103_000 | computation | Reference Data From Materials Project: {formula:HgB2(CN)8,spaceGroup:P-3m1,id:mp-567699} |
| RD_391157014581_000 | computation | Reference Data From Materials Project: {formula:MgNi3B2,spaceGroup:P6_422,id:mp-571428} |
| RD_391203352738_000 | computation | Reference Data From Materials Project: {formula:Li3V3(BO5)2,spaceGroup:P-1,id:mp-770358} |
| RD_391596701640_000 | computation | Reference Data From Materials Project: {formula:LiNiBO3,spaceGroup:P2_1/c,id:mp-777079} |
| RD_392105898035_000 | computation | Reference Data From Materials Project: {formula:Tb10B7C10,spaceGroup:C2/c,id:mp-570655} |
| RD_392189914149_000 | computation | Reference Data From Materials Project: {formula:Sn5(BIr3)2,spaceGroup:P-62m,id:mp-28998} |
| RD_392201745282_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-850069} |
| RD_392363228299_000 | computation | Reference Data From Materials Project: {formula:FeBO3,spaceGroup:R-3c,id:mp-19097} |
| RD_392593837280_000 | computation | Reference Data From Materials Project: {formula:YBO3,spaceGroup:C2cm,id:mp-760457} |
| RD_392985925805_000 | computation | Reference Data From Materials Project: {formula:Mn(BW)2,spaceGroup:P4/mbm,id:mp-19789} |
| RD_393186864410_000 | computation | Reference Data From Materials Project: {formula:Mg8B5IN10,spaceGroup:Imma,id:mp-570132} |
| RD_393515423408_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_393558283456_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_393577090056_000 | computation | Reference Data From Materials Project: {formula:Li2Sn(BO3)2,spaceGroup:P-1,id:mp-755757} |
| RD_393755790268_000 | computation | Reference Data From Materials Project: {formula:EuB6,spaceGroup:Pm-3m,id:mp-20874} |
| RD_393796400006_000 | computation | Reference Data From Materials Project: {formula:Li3Sc(BO3)2,spaceGroup:P2_1/c,id:mp-557012} |
| RD_394052246585_000 | computation | Reference Data From Materials Project: {formula:HfB,spaceGroup:Fm-3m,id:mp-345} |
| RD_394113282627_000 | computation | Reference Data From Materials Project: {formula:LiFeBO3,spaceGroup:P-6,id:mp-777255} |
| RD_394182028298_000 | computation | Reference Data From Materials Project: {formula:Rb3BAs2,spaceGroup:C2/c,id:mp-9718} |
| RD_394709981803_000 | computation | Reference Data From Materials Project: {formula:Li3Pr2(BO3)3,spaceGroup:P2_1/c,id:mp-13772} |
| RD_394806707252_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_394817620798_000 | computation | Reference Data From Materials Project: {formula:YbNi2B2C,spaceGroup:I4/mmm,id:mp-6286} |
| RD_394837208716_000 | computation | Reference Data From Materials Project: {formula:Mn3B4,spaceGroup:Immm,id:mp-10118} |
| RD_394882176918_000 | computation | Reference Data From Materials Project: {formula:Sr5(B5Rh7)2,spaceGroup:Fmmm,id:mp-28706} |
| RD_394923307492_000 | computation | Reference Data From Materials Project: {formula:Ba4Sm7Si12BN27,spaceGroup:P-6,id:mp-693655} |
| RD_396520048088_000 | computation | BN in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_396602527983_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-766625} |
| RD_396937801291_000 | computation | Reference Data From Materials Project: {formula:Na3CrBAsO7,spaceGroup:P2_1/m,id:mp-772378} |
| RD_396972766432_000 | computation | Reference Data From Materials Project: {formula:ErB4,spaceGroup:P4/mbm,id:mp-2847} |
| RD_397285208142_000 | computation | BC in AFLOW crystal prototype AB5_tI24_141_a_b2e. 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_397670091862_000 | computation | Reference Data From Materials Project: {formula:BH9(CO)3,spaceGroup:P6_3/m,id:mp-558506} |
| RD_398048978803_000 | computation | Reference Data From Materials Project: {formula:CsLi5(BO3)2,spaceGroup:C2/c,id:mp-555082} |
| RD_398322359920_000 | computation | Reference Data From Materials Project: {formula:NaBF4,spaceGroup:Cmcm,id:mp-3521} |
| RD_398344769257_000 | computation | Reference Data From Materials Project: {formula:LuBRh3,spaceGroup:Pm-3m,id:mp-3717} |
| RD_398543890501_000 | computation | Reference Data From Materials Project: {formula:GaNi2BO5,spaceGroup:Pmcb,id:mp-541269} |
| RD_399462346649_000 | computation | Reference Data From Materials Project: {formula:Ca2SiB2O7,spaceGroup:P-42_1m,id:mp-752851} |
| RD_399643474345_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-779072} |
| RD_399961883684_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-780635} |
| RD_400391516665_000 | computation | Reference Data From Materials Project: {formula:AgBF5,spaceGroup:P4/n,id:mp-5160} |
| RD_400470687291_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764738} |
| RD_400709391135_000 | computation | Reference Data From Materials Project: {formula:Sn5(BRh3)2,spaceGroup:P-62m,id:mp-30060} |
| RD_400834964975_000 | computation | Reference Data From Materials Project: {formula:Ca(BS2)2,spaceGroup:Pa3,id:mp-30958} |
| RD_401069439807_000 | computation | Reference Data From Materials Project: {formula:Cs(BCl)6,spaceGroup:R-3,id:mp-570530} |
| RD_401069545599_000 | computation | Reference Data From Materials Project: {formula:LaB2Ru3,spaceGroup:P6/mmm,id:mp-29723} |
| RD_401096028822_000 | computation | Reference Data From Materials Project: {formula:TlBS2,spaceGroup:R-3m,id:mp-8946} |
| RD_401217390486_000 | computation | Reference Data From Materials Project: {formula:B5H4NO10,spaceGroup:P2_1/c,id:mp-721905} |
| RD_401511781043_000 | computation | Reference Data From Materials Project: {formula:BAsO4,spaceGroup:P3_121,id:mp-11654} |
| RD_402252242287_000 | computation | Reference Data From Materials Project: {formula:Sn4B3Ir7,spaceGroup:P6_3/m,id:mp-28999} |
| RD_402643399876_000 | computation | Reference Data From Materials Project: {formula:Ba4B2N4O,spaceGroup:Cmce,id:mp-553990} |
| RD_402998154042_000 | computation | Reference Data From Materials Project: {formula:NaLiB4O7,spaceGroup:F2dd,id:mp-553926} |
| RD_403282951105_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-780443} |
| RD_403312396725_000 | computation | Reference Data From Materials Project: {formula:Bi3B7O12,spaceGroup:P-1,id:mp-768969} |
| RD_403882183479_000 | computation | Reference Data From Materials Project: {formula:Li3Mn(BO3)2,spaceGroup:P-1,id:mp-770903} |
| RD_404042378285_000 | computation | Reference Data From Materials Project: {formula:Nd3Co13B2,spaceGroup:P6/mmm,id:mp-4603} |
| RD_404579568601_000 | computation | Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:C2,id:mp-755256} |
| RD_404953331449_000 | computation | Reference Data From Materials Project: {formula:Y3ReB7,spaceGroup:Cmcm,id:mp-569002} |
| RD_405535407110_000 | computation | Reference Data From Materials Project: {formula:CeBO3,spaceGroup:Pmnb,id:mp-20882} |
| RD_405743470509_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Cm,id:mp-850245} |
| RD_405890644067_000 | computation | BN in AFLOW crystal prototype AB_oP8_62_c_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_405898569898_000 | computation | Reference Data From Materials Project: {formula:Ga2BSb,spaceGroup:Fm-3m,id:mp-631553} |
| RD_405961359651_000 | computation | Reference Data From Materials Project: {formula:BaCaBO3F,spaceGroup:P1,id:mp-694911} |
| RD_406041733012_000 | computation | Reference Data From Materials Project: {formula:Ni21(SnB3)2,spaceGroup:Fm-3m,id:mp-21573} |
| RD_406085088005_000 | computation | Reference Data From Materials Project: {formula:LaB6,spaceGroup:Pm-3m,id:mp-2680} |
| RD_406233841613_000 | computation | Reference Data From Materials Project: {formula:V5BO9,spaceGroup:Cmc2_1,id:mp-770506} |
| RD_406233992019_000 | computation | Reference Data From Materials Project: {formula:Sc3TlB,spaceGroup:Pm-3m,id:mp-10140} |
| RD_406248971565_000 | computation | Reference Data From Materials Project: {formula:NaLi2BO3,spaceGroup:P2_1/c,id:mp-560189} |
| RD_406535825431_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:C2/m,id:mp-769698} |
| RD_407145923959_000 | computation | Reference Data From Materials Project: {formula:NaB9Se8,spaceGroup:P-3,id:mp-640950} |
| RD_407529400769_000 | computation | Reference Data From Materials Project: {formula:NaB15,spaceGroup:Imma,id:mp-2315} |
| RD_407743877299_000 | computation | Reference Data From Materials Project: {formula:LaB2Rh3,spaceGroup:P6/mmm,id:mp-3465} |
| RD_408001324663_000 | computation | Reference Data From Materials Project: {formula:Co(BW)2,spaceGroup:Immm,id:mp-7573} |
| RD_408357817859_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764864} |
| RD_408454745921_000 | computation | Reference Data From Materials Project: {formula:LiNiBO3,spaceGroup:Cc,id:mp-766153} |
| RD_408694287092_000 | computation | Reference Data From Materials Project: {formula:Th2FeB10,spaceGroup:Pmcb,id:mp-21902} |
| RD_408990162918_000 | computation | Reference Data From Materials Project: {formula:SmB4,spaceGroup:P4/mbm,id:mp-8546} |
| RD_409133049523_000 | computation | Reference Data From Materials Project: {formula:LaB2Rh3,spaceGroup:P6/mmm,id:mp-3465} |
| RD_409486139913_000 | computation | Reference Data From Materials Project: {formula:La3(BN2)2,spaceGroup:Immm,id:mp-569935} |
| RD_409851405855_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-849720} |
| RD_409906166471_000 | computation | Reference Data From Materials Project: {formula:Li3Al(BO3)2,spaceGroup:P-1,id:mp-554344} |
| RD_409922287164_000 | computation | Reference Data From Materials Project: {formula:LaBPd3,spaceGroup:Pm-3m,id:mp-3846} |
| RD_409937834124_000 | computation | Reference Data From Materials Project: {formula:LaCo(BO2)5,spaceGroup:P2_1/c,id:mp-19475} |
| RD_410021695015_000 | computation | Reference Data From Materials Project: {formula:NdCo4B,spaceGroup:P6/mmm,id:mp-3689} |
| RD_410375405994_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-850097} |
| RD_410549747484_000 | computation | Reference Data From Materials Project: {formula:CaB2(H6O5)2,spaceGroup:P2/c,id:mp-554736} |
| RD_410681317298_000 | computation | Reference Data From Materials Project: {formula:BP4(SBr)3,spaceGroup:P2_1/m,id:mp-867154} |
| RD_410978870215_000 | computation | Reference Data From Materials Project: {formula:SrCu2(BO3)2,spaceGroup:I4/mcm,id:mp-558472} |
| RD_411100511269_000 | computation | Reference Data From Materials Project: {formula:Li3FeBO4,spaceGroup:I4_1/a,id:mp-778748} |
| RD_411117499040_000 | computation | Reference Data From Materials Project: {formula:SiB3,spaceGroup:Ibmm,id:mp-569128} |
| RD_411473567806_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764576} |
| RD_411892061432_000 | computation | Reference Data From Materials Project: {formula:Sn5BF13,spaceGroup:P2_1/c,id:mp-28271} |
| RD_411980090454_000 | computation | Reference Data From Materials Project: {formula:Na2BH4ClO4,spaceGroup:P4/nmm,id:mp-690684} |
| RD_412288849753_000 | computation | Reference Data From Materials Project: {formula:CoBC8(OF2)5,spaceGroup:P2_1/c,id:mp-646356} |
| RD_412451354771_000 | computation | BN in AFLOW crystal prototype AB_hP4_186_b_b (Wurtzite). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_412541290840_000 | computation | Reference Data From Materials Project: {formula:Ag2B8O13,spaceGroup:P1,id:mp-759792} |
| RD_412845286090_000 | computation | Reference Data From Materials Project: {formula:Mg2AlB2Ir5,spaceGroup:P4/mbm,id:mp-865047} |
| RD_413440552165_000 | computation | Reference Data From Materials Project: {formula:Y2BeAlBO7,spaceGroup:P2_12_12_1,id:mp-686689} |
| RD_413677551781_000 | computation | BC in AFLOW crystal prototype AB7_tP8_115_b_ce2g. 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_414183359799_000 | computation | Reference Data From Materials Project: {formula:B(HO)3,spaceGroup:P-1,id:mp-697183} |
| RD_415263361118_000 | computation | Reference Data From Materials Project: {formula:Cs2K2B10O17,spaceGroup:C2,id:mp-623787} |
| RD_415636744459_000 | computation | Reference Data From Materials Project: {formula:Sr2B8Ru7,spaceGroup:P4_2/m,id:mp-649084} |
| RD_415771073073_000 | computation | Reference Data From Materials Project: {formula:Sr7SiB3NO13,spaceGroup:P6_3,id:mp-720338} |
| RD_415799115700_000 | computation | Reference Data From Materials Project: {formula:B9H8S,spaceGroup:P2_1/c,id:mp-27202} |
| RD_416031897735_000 | computation | Reference Data From Materials Project: {formula:LiFeBO3,spaceGroup:P1,id:mp-778884} |
| RD_416087385402_000 | computation | Reference Data From Materials Project: {formula:KB(CO2)4,spaceGroup:Ccmm,id:mp-559030} |
| RD_416396410536_000 | computation | Reference Data From Materials Project: {formula:Li2Fe(BO3)2,spaceGroup:P2_1/c,id:mp-778811} |
| RD_416648017485_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_416826805051_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-778911} |
| RD_417131171304_000 | computation | Reference Data From Materials Project: {formula:Sr(BO2)2,spaceGroup:Pa3,id:mp-8878} |
| RD_417628695123_000 | computation | Reference Data From Materials Project: {formula:Lu2Fe14B,spaceGroup:P4_2/mnm,id:mp-4214} |
| RD_417655254644_000 | computation | Reference Data From Materials Project: {formula:KNa(BH4)2,spaceGroup:R3,id:mp-568439} |
| RD_417873422799_000 | computation | Reference Data From Materials Project: {formula:La3(B3Ru4)2,spaceGroup:Fmmm,id:mp-4676} |
| RD_418324306172_000 | computation | Reference Data From Materials Project: {formula:NaFeBP2H3O10,spaceGroup:C2/c,id:mp-541793} |
| RD_418926200819_000 | computation | Reference Data From Materials Project: {formula:Li3V3(BO5)2,spaceGroup:Pm,id:mp-770381} |
| RD_419182607901_000 | computation | Reference Data From Materials Project: {formula:ZrB,spaceGroup:Fm-3m,id:mp-451} |
| RD_419269406406_000 | computation | Reference Data From Materials Project: {formula:CsNa2BO3,spaceGroup:Pnmm,id:mp-8871} |
| RD_419290041101_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-777092} |
| RD_419484000501_000 | computation | Reference Data From Materials Project: {formula:BH3,spaceGroup:P2_1/c,id:mp-634117} |
| RD_420115555228_000 | computation | Reference Data From Materials Project: {formula:Dy5Si3B,spaceGroup:P6_3/mcm,id:mp-13237} |
| RD_420358648098_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_420535321250_000 | computation | BN in AFLOW crystal prototype AB_hP4_194_b_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_420659780876_000 | computation | Reference Data From Materials Project: {formula:PrB6,spaceGroup:Pm-3m,id:mp-12762} |
| RD_420911456000_000 | computation | Reference Data From Materials Project: {formula:SmCd(BO2)5,spaceGroup:P2_1/c,id:mp-14556} |
| RD_421379515476_000 | computation | Reference Data From Materials Project: {formula:Al(CrB)2,spaceGroup:Cmmm,id:mp-7692} |
| RD_421429144645_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-780529} |
| RD_421679893972_000 | computation | Reference Data From Materials Project: {formula:Cd(BO2)2,spaceGroup:Pccn,id:mp-778103} |
| RD_421734924195_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-778635} |
| RD_422255487425_000 | computation | Reference Data From Materials Project: {formula:GdB2Rh3,spaceGroup:P6/mmm,id:mp-22117} |
| RD_422319024624_000 | computation | Reference Data From Materials Project: {formula:Cd4B6O13,spaceGroup:I-43m,id:mp-755260} |
| RD_422328086132_000 | computation | Reference Data From Materials Project: {formula:La6B(NO2)3,spaceGroup:Ccmm,id:mp-560824} |
| RD_422686196771_000 | computation | Reference Data From Materials Project: {formula:Fe(BW)2,spaceGroup:P4/mbm,id:mp-613327} |
| RD_422911702562_000 | computation | Reference Data From Materials Project: {formula:Cd4B6O13,spaceGroup:I-43m,id:mp-755260} |
| RD_423150513057_000 | computation | Reference Data From Materials Project: {formula:NaB(H4O3)2,spaceGroup:P-1,id:mp-696849} |
| RD_423663773095_000 | computation | Reference Data From Materials Project: {formula:K2Ga2B2O7,spaceGroup:P321,id:mp-561525} |
| RD_424205884296_000 | computation | Reference Data From Materials Project: {formula:UFe3B2,spaceGroup:P6/mmm,id:mp-10065} |
| RD_424256105849_000 | computation | Reference Data From Materials Project: {formula:ZrAgB,spaceGroup:F-43m,id:mp-961701} |
| RD_424353488513_000 | computation | Reference Data From Materials Project: {formula:BHO2,spaceGroup:P-43n,id:mp-721851} |
| RD_424767195023_000 | computation | Reference Data From Materials Project: {formula:B2O3,spaceGroup:P3_121,id:mp-306} |
| RD_424999083514_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-779789} |
| RD_425822636378_000 | computation | Reference Data From Materials Project: {formula:Pr2B3Cl,spaceGroup:P6_3/mmc,id:mp-567730} |
| RD_425917447938_000 | computation | Reference Data From Materials Project: {formula:YNiBC,spaceGroup:P4/nmm,id:mp-612670} |
| RD_425988163544_000 | computation | Reference Data From Materials Project: {formula:Na2B4O7,spaceGroup:P-1,id:mp-17941} |
| RD_426204785779_000 | computation | Reference Data From Materials Project: {formula:Y2Fe14B,spaceGroup:P4_2/mnm,id:mp-5434} |
| RD_426423340469_000 | computation | Reference Data From Materials Project: {formula:GdBO3,spaceGroup:P6_3/mmc,id:mp-633113} |
| RD_426752153490_000 | computation | Reference Data From Materials Project: {formula:KNa(BH4)2,spaceGroup:R-3m,id:mp-23758} |
| RD_427191340549_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764741} |
| RD_427455888471_000 | computation | Reference Data From Materials Project: {formula:LiB(HO)4,spaceGroup:Pbca,id:mp-23662} |
| RD_427930116120_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-767427} |
| RD_427968568705_000 | computation | Reference Data From Materials Project: {formula:ScB4Os3,spaceGroup:Cmcm,id:mp-10504} |
| RD_428247143745_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-780510} |
| RD_429764668568_000 | computation | Reference Data From Materials Project: {formula:NbNiB,spaceGroup:Cmcm,id:mp-9985} |
| RD_430009223134_000 | computation | Reference Data From Materials Project: {formula:PuB2,spaceGroup:P6/mmm,id:mp-580} |
| RD_430115467779_000 | computation | Reference Data From Materials Project: {formula:NaLiSiB3HO8,spaceGroup:P2_1/c,id:mp-558267} |
| RD_430122701309_000 | computation | Reference Data From Materials Project: {formula:Ca3La3(BO3)5,spaceGroup:P6_3mc,id:mp-6709} |
| RD_430429103539_000 | computation | Reference Data From Materials Project: {formula:SmBO3,spaceGroup:P-1,id:mp-8627} |
| RD_430976191921_000 | computation | Reference Data From Materials Project: {formula:LiVBO4,spaceGroup:Pc,id:mp-770016} |
| RD_431088595853_000 | computation | Reference Data From Materials Project: {formula:Sm7BP2O17,spaceGroup:P2_1/c,id:mp-558842} |
| RD_431259116951_000 | computation | Reference Data From Materials Project: {formula:Li3Co(BO3)2,spaceGroup:P-1,id:mp-769782} |
| RD_431444949911_000 | computation | Reference Data From Materials Project: {formula:LiAlB14,spaceGroup:Imcm,id:mp-8204} |
| RD_431664590425_000 | computation | Reference Data From Materials Project: {formula:Na3CuBPO7,spaceGroup:P2_1/m,id:mp-756517} |
| RD_431930916007_000 | computation | Reference Data From Materials Project: {formula:Ca(Ni2B)6,spaceGroup:R-3m,id:mp-21312} |
| RD_432083043317_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_433095958462_000 | computation | Reference Data From Materials Project: {formula:Y2FeB,spaceGroup:F-43m,id:mp-631661} |
| RD_433438391562_000 | computation | Reference Data From Materials Project: {formula:CoBH18Br2(N3F2)2,spaceGroup:P2_1/c,id:mp-569520} |
| RD_433463376415_000 | computation | Reference Data From Materials Project: {formula:La3InB,spaceGroup:Pm-3m,id:mp-20590} |
| RD_433543328944_000 | computation | Reference Data From Materials Project: {formula:Zn8B3H3O14,spaceGroup:R32,id:mp-555808} |
| RD_433604398555_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_433697877561_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_433745420283_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-850965} |
| RD_434255057074_000 | computation | Reference Data From Materials Project: {formula:ThB2Ru3,spaceGroup:P6/mmm,id:mp-3223} |
| RD_434292481976_000 | computation | Reference Data From Materials Project: {formula:Na6B4Sb2PO16,spaceGroup:Fd3,id:mp-780399} |
| RD_434336273361_000 | computation | Reference Data From Materials Project: {formula:Ho2(Ni5B2)3,spaceGroup:P2_1/c,id:mp-567285} |
| RD_434357430459_000 | computation | Reference Data From Materials Project: {formula:Ti2BRh6,spaceGroup:Fm-3m,id:mp-571126} |
| RD_434367666379_000 | computation | Reference Data From Materials Project: {formula:Li3Bi2(BO3)3,spaceGroup:P2_1/c,id:mp-768798} |
| RD_434398052172_000 | computation | Reference Data From Materials Project: {formula:TlB3O5,spaceGroup:P2_12_12_1,id:mp-29155} |
| RD_434547907167_000 | computation | Reference Data From Materials Project: {formula:Er(BRh)4,spaceGroup:I4_1/acd,id:mp-14481} |
| RD_434589371356_000 | computation | Reference Data From Materials Project: {formula:TmAl3(BO3)4,spaceGroup:R32,id:mp-13516} |
| RD_434987627363_000 | computation | Reference Data From Materials Project: {formula:LaB2Ru3,spaceGroup:P6/mmm,id:mp-29723} |
| RD_435322690825_000 | computation | Reference Data From Materials Project: {formula:U2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-10130} |
| RD_435469437185_000 | computation | Reference Data From Materials Project: {formula:SmB2Ru3,spaceGroup:P6/mmm,id:mp-3467} |
| RD_436034175497_000 | computation | Reference Data From Materials Project: {formula:BPd2,spaceGroup:Pmnn,id:mp-7424} |
| RD_436703584037_000 | computation | Reference Data From Materials Project: {formula:Li6Cr(BO3)3,spaceGroup:P2_1/c,id:mp-772644} |
| RD_436731482580_000 | computation | Reference Data From Materials Project: {formula:Co(BW)3,spaceGroup:Cmcm,id:mp-27768} |
| RD_436852357437_000 | computation | Reference Data From Materials Project: {formula:ZrCo3B2,spaceGroup:R-3m,id:mp-618324} |
| RD_436919879057_000 | computation | Reference Data From Materials Project: {formula:Ca3YMn3B4O15,spaceGroup:Pm,id:mp-743608} |
| RD_437060993634_000 | computation | Reference Data From Materials Project: {formula:Li6Mn5Fe(BO3)6,spaceGroup:Pm,id:mp-779844} |
| RD_437308276023_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-766064} |
| RD_437334481376_000 | computation | Reference Data From Materials Project: {formula:Li5BO4,spaceGroup:Pbca,id:mp-768967} |
| RD_437560511581_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-849259} |
| RD_437574288710_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_438196675260_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764798} |
| RD_438233321482_000 | computation | Reference Data From Materials Project: {formula:PrGeBO5,spaceGroup:P3_1,id:mp-10080} |
| RD_438519743625_000 | computation | Reference Data From Materials Project: {formula:La2B3Cl,spaceGroup:P-6,id:mp-569121} |
| RD_439044550121_000 | computation | Reference Data From Materials Project: {formula:Na3VBPO7,spaceGroup:P2_1/m,id:mp-780595} |
| RD_439697555212_000 | computation | Reference Data From Materials Project: {formula:Rb5B19O31,spaceGroup:C2/c,id:mp-553925} |
| RD_439777580757_000 | computation | BHf in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_439908669357_000 | computation | Reference Data From Materials Project: {formula:EuB6,spaceGroup:Pm-3m,id:mp-20874} |
| RD_440313788338_000 | computation | Reference Data From Materials Project: {formula:Na6Fe2B4AsO16,spaceGroup:Fd3,id:mp-770768} |
| RD_441305594143_000 | computation | Reference Data From Materials Project: {formula:U(BRu)4,spaceGroup:I4_1/acd,id:mp-15355} |
| RD_441399933778_000 | computation | Reference Data From Materials Project: {formula:Ag3BO3,spaceGroup:R-3c,id:mp-561550} |
| RD_442048141069_000 | computation | Reference Data From Materials Project: {formula:Sr(BS2)2,spaceGroup:P2_1/c,id:mp-8947} |
| RD_442813504423_000 | computation | Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:P2_1,id:mp-755835} |
| RD_443057548619_000 | computation | Reference Data From Materials Project: {formula:TaBO4,spaceGroup:I4_1/amd,id:mp-4624} |
| RD_443329141598_000 | computation | Reference Data From Materials Project: {formula:Sr(Ni2B)6,spaceGroup:R-3m,id:mp-16830} |
| RD_443717196287_000 | computation | Reference Data From Materials Project: {formula:NdB2Ru3,spaceGroup:P6/mmm,id:mp-7099} |
| RD_443983465997_000 | computation | Reference Data From Materials Project: {formula:BClF6,spaceGroup:P2_1/c,id:mp-23398} |
| RD_444566089286_000 | computation | Reference Data From Materials Project: {formula:NdCo4B,spaceGroup:P6/mmm,id:mp-3689} |
| RD_444612972342_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-782643} |
| RD_444986645613_000 | computation | Reference Data From Materials Project: {formula:PrBPt4,spaceGroup:P6/mmm,id:mp-13483} |
| RD_445130989499_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764547} |
| RD_445353988748_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-778654} |
| RD_445453249007_000 | computation | Reference Data From Materials Project: {formula:Li3BN2,spaceGroup:P4_2/mnm,id:mp-8926} |
| RD_445541085819_000 | computation | Reference Data From Materials Project: {formula:Sr3(BO3)2,spaceGroup:R-3c,id:mp-16432} |
| RD_445780170199_000 | computation | Reference Data From Materials Project: {formula:Al2B2Ru3,spaceGroup:Cmmm,id:mp-29674} |
| RD_446202628602_000 | computation | Reference Data From Materials Project: {formula:CoB4O7,spaceGroup:Pbca,id:mp-31520} |
| RD_446831020162_000 | computation | Reference Data From Materials Project: {formula:Ca2B8H2O15,spaceGroup:P-1,id:mp-706291} |
| RD_446865315360_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-763323} |
| RD_447006559568_000 | computation | Reference Data From Materials Project: {formula:Na6V2B4SO16,spaceGroup:Fd3,id:mp-781738} |
| RD_447320835345_000 | computation | Reference Data From Materials Project: {formula:Pr(BO2)3,spaceGroup:C2/c,id:mp-11183} |
| RD_447576585064_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:Pm,id:mp-780497} |
| RD_447582412305_000 | computation | Reference Data From Materials Project: {formula:B2S3,spaceGroup:R-3c,id:mp-866066} |
| RD_447692841529_000 | computation | Reference Data From Materials Project: {formula:LaB2Ir3,spaceGroup:P6/mmm,id:mp-10112} |
| RD_447986910241_000 | computation | Reference Data From Materials Project: {formula:B7H10,spaceGroup:P2_12_12_1,id:mp-27820} |
| RD_448096597086_000 | computation | Reference Data From Materials Project: {formula:Sc2FeB2Rh5,spaceGroup:P4/mbm,id:mp-542023} |
| RD_448108830113_000 | computation | Reference Data From Materials Project: {formula:B3H4,spaceGroup:Pbn2_1,id:mp-29446} |
| RD_448227027320_000 | computation | B in AFLOW crystal prototype A_tP50_134_a2m2n (T-50 Boron). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_448412798631_000 | computation | Reference Data From Materials Project: {formula:Li6Sn2B4SO16,spaceGroup:Fd3,id:mp-769001} |
| RD_448578549808_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-778862} |
| RD_448672952297_000 | computation | Reference Data From Materials Project: {formula:NpB2,spaceGroup:P6/mmm,id:mp-1083} |
| RD_448870811474_000 | computation | Reference Data From Materials Project: {formula:ErBPd3,spaceGroup:Pm-3m,id:mp-10061} |
| RD_449181220694_000 | computation | Reference Data From Materials Project: {formula:Li3Cr(BO3)2,spaceGroup:P2_1/c,id:mp-765261} |
| RD_449277199784_000 | computation | Reference Data From Materials Project: {formula:Sr2Be2B2O7,spaceGroup:P-6c2,id:mp-556498} |
| RD_449328415263_000 | computation | Reference Data From Materials Project: {formula:BH11C4BrNF4,spaceGroup:P2_1/m,id:mp-554318} |
| RD_449352808748_000 | computation | Reference Data From Materials Project: {formula:Li2VBO4,spaceGroup:Pbn2_1,id:mp-770334} |
| RD_449708488279_000 | computation | Reference Data From Materials Project: {formula:Ba7B4Se13,spaceGroup:C2/c,id:mp-583221} |
| RD_449763917917_000 | computation | Reference Data From Materials Project: {formula:ErBRh3,spaceGroup:Pm-3m,id:mp-3769} |
| RD_449909891533_000 | computation | Reference Data From Materials Project: {formula:NaScB2O5,spaceGroup:P2_1/c,id:mp-555447} |
| RD_450104571481_000 | computation | Reference Data From Materials Project: {formula:Gd2B4O9,spaceGroup:P-1,id:mp-31369} |
| RD_450975630980_000 | computation | Reference Data From Materials Project: {formula:Cr3B7ClO13,spaceGroup:Pca2_1,id:mp-579770} |
| RD_451249882012_000 | computation | Reference Data From Materials Project: {formula:Tb3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-16088} |
| RD_452009808396_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764658} |
| RD_452294047871_000 | computation | Reference Data From Materials Project: {formula:Bi(BO2)3,spaceGroup:C2,id:mp-23349} |
| RD_452754687857_000 | computation | Reference Data From Materials Project: {formula:Li9Cr4(BO3)8,spaceGroup:P1,id:mp-763230} |
| RD_452765795648_000 | computation | Reference Data From Materials Project: {formula:K3BSb4O13,spaceGroup:P-1,id:mp-558607} |
| RD_452779253950_000 | computation | Reference Data From Materials Project: {formula:Er(BRh)4,spaceGroup:P4_2/nmc,id:mp-8408} |
| RD_452942191752_000 | computation | Reference Data From Materials Project: {formula:B,spaceGroup:P4_2/nnm,id:mp-570602} |
| RD_453490566533_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P-1,id:mp-775258} |
| RD_453699723024_000 | computation | Reference Data From Materials Project: {formula:La(BC)2,spaceGroup:P4/mbm,id:mp-10852} |
| RD_454355644256_000 | computation | Reference Data From Materials Project: {formula:RbB2P2HO9,spaceGroup:P2_1/c,id:mp-758281} |
| RD_454496450558_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764506} |
| RD_454859410764_000 | computation | Reference Data From Materials Project: {formula:Nd10(B3C4)3,spaceGroup:P4_12_12,id:mp-571244} |
| RD_455046208498_000 | computation | Reference Data From Materials Project: {formula:Nb3B3C,spaceGroup:Cmcm,id:mp-29979} |
| RD_455234844248_000 | computation | Reference Data From Materials Project: {formula:Tm2Cu(B2O5)2,spaceGroup:P2_1/c,id:mp-18576} |
| RD_455240903663_000 | computation | Reference Data From Materials Project: {formula:Na6Fe2B4SO16,spaceGroup:Fd3,id:mp-770356} |
| RD_455292263745_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-778374} |
| RD_456065693468_000 | computation | Reference Data From Materials Project: {formula:Zn3BPO7,spaceGroup:Cm,id:mp-557343} |
| RD_456259071327_000 | computation | Reference Data From Materials Project: {formula:Y(BIr)2,spaceGroup:Fddd,id:mp-14622} |
| RD_456348534205_000 | computation | Reference Data From Materials Project: {formula:LaBN2,spaceGroup:P-1,id:mp-29597} |
| RD_456624013231_000 | computation | Reference Data From Materials Project: {formula:Na6Bi2B4SO16,spaceGroup:Fd3,id:mp-779289} |
| RD_457173910018_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-774381} |
| RD_457660562933_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-779873} |
| RD_457795646155_000 | computation | Reference Data From Materials Project: {formula:LiMnBO3,spaceGroup:P-6,id:mp-19131} |
| RD_457845729257_000 | computation | Reference Data From Materials Project: {formula:Li3V(BO3)2,spaceGroup:P2_1/c,id:mp-770345} |
| RD_457923237019_000 | computation | Reference Data From Materials Project: {formula:Pr3Co11B4,spaceGroup:P6/mmm,id:mp-5457} |
| RD_458064294465_000 | computation | Reference Data From Materials Project: {formula:LiCrBO3,spaceGroup:P-6,id:mp-769703} |
| RD_458799336482_000 | computation | Reference Data From Materials Project: {formula:Na2B4H8O11,spaceGroup:P2_1/c,id:mp-706655} |
| RD_458983424011_000 | computation | Reference Data From Materials Project: {formula:Cr3B7ClO13,spaceGroup:P-42_1c,id:mp-653248} |
| RD_459010095750_000 | computation | Reference Data From Materials Project: {formula:ErB2Rh3,spaceGroup:P6/mmm,id:mp-5678} |
| RD_459738834870_000 | computation | Reference Data From Materials Project: {formula:CeB2ClO4,spaceGroup:P-1,id:mp-556519} |
| RD_459795043315_000 | computation | Reference Data From Materials Project: {formula:LuNi2B2C,spaceGroup:I4/mmm,id:mp-6544} |
| RD_460073115450_000 | computation | Reference Data From Materials Project: {formula:LaBPd3,spaceGroup:Pm-3m,id:mp-3846} |
| RD_460442591969_000 | computation | Reference Data From Materials Project: {formula:Li6MnFe5(BO3)6,spaceGroup:Pm,id:mp-780634} |
| RD_460492257135_000 | computation | Reference Data From Materials Project: {formula:Nb3(Fe10B3)2,spaceGroup:Fm-3m,id:mp-21666} |
| RD_460691607499_000 | computation | Reference Data From Materials Project: {formula:PaB3,spaceGroup:P6_3/mmc,id:mp-862847} |
| RD_461152710972_000 | computation | Reference Data From Materials Project: {formula:LiFe8(BO3)8,spaceGroup:P1,id:mp-764478} |
| RD_461218279074_000 | computation | Reference Data From Materials Project: {formula:KNa(BH4)2,spaceGroup:P3m1,id:mp-571414} |
| RD_461307939641_000 | computation | Reference Data From Materials Project: {formula:LaB2Ir3,spaceGroup:P6/mmm,id:mp-10112} |
| RD_461537851788_000 | computation | Reference Data From Materials Project: {formula:B2Mo,spaceGroup:P6/mmm,id:mp-960} |
| RD_461775890907_000 | computation | Reference Data From Materials Project: {formula:LaB2Rh2C,spaceGroup:I4/mmm,id:mp-6794} |
| RD_461922711033_000 | computation | Reference Data From Materials Project: {formula:ErB4,spaceGroup:P4/mbm,id:mp-570034} |
| RD_462352213494_000 | computation | Reference Data From Materials Project: {formula:Li3Mn2Fe(BO3)3,spaceGroup:Pm,id:mp-780210} |
| RD_462429754921_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:Pm,id:mp-774393} |
| RD_462585375089_000 | computation | Reference Data From Materials Project: {formula:CsBa(BO2)3,spaceGroup:P321,id:mp-556936} |
| RD_462799398890_000 | computation | Reference Data From Materials Project: {formula:Li5Fe2(BO4)2,spaceGroup:Pc,id:mp-765302} |
| RD_462877133390_000 | computation | Reference Data From Materials Project: {formula:BH11C4NClF4,spaceGroup:P2_1/m,id:mp-559235} |
| RD_463637203055_000 | computation | Reference Data From Materials Project: {formula:PrNi2B2C,spaceGroup:I4/mmm,id:mp-6140} |
| RD_464101431299_000 | computation | Reference Data From Materials Project: {formula:Cu5Bi2(B2O7)2,spaceGroup:P-1,id:mp-559620} |
| RD_464125363922_000 | computation | Reference Data From Materials Project: {formula:RbGaBP2HO9,spaceGroup:P2_1/c,id:mp-24761} |
| RD_464288644686_000 | computation | Reference Data From Materials Project: {formula:BiBO3,spaceGroup:P2_1/c,id:mp-31250} |
| RD_464311257125_000 | computation | Reference Data From Materials Project: {formula:Eu3(BO3)2,spaceGroup:R-3c,id:mp-505346} |
| RD_464443195182_000 | computation | Reference Data From Materials Project: {formula:Na3CuBAsO7,spaceGroup:P2_1/m,id:mp-772722} |
| RD_464886848635_000 | computation | Reference Data From Materials Project: {formula:Mg3B(OF)3,spaceGroup:P6_3/m,id:mp-554542} |
| RD_465362733447_000 | computation | Reference Data From Materials Project: {formula:YNi4B,spaceGroup:P6/mmm,id:mp-7559} |
| RD_465489192395_000 | computation | Reference Data From Materials Project: {formula:Ca(BO2)2,spaceGroup:Pa3,id:mp-13827} |
| RD_465718027356_000 | computation | Reference Data From Materials Project: {formula:Rb(BH)6,spaceGroup:Fm3,id:mp-24123} |
| RD_465853847729_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-849952} |
| RD_466112590003_000 | computation | Reference Data From Materials Project: {formula:B3Pb6ClO10,spaceGroup:Pcmb,id:mp-560833} |
| RD_466326447056_000 | computation | Reference Data From Materials Project: {formula:Nd2Fe23B3,spaceGroup:I-43d,id:mp-568158} |
| RD_466342686583_000 | computation | Reference Data From Materials Project: {formula:Li4Ni(BO3)2,spaceGroup:Pnnm,id:mp-777085} |
| RD_466551190794_000 | computation | Reference Data From Materials Project: {formula:Na2VBAsO7,spaceGroup:P2_1/m,id:mp-773190} |
| RD_466596641017_000 | computation | Reference Data From Materials Project: {formula:CsLi(B3O5)2,spaceGroup:I-42d,id:mp-5990} |
| RD_466609077735_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-776720} |
| RD_467121091150_000 | computation | Reference Data From Materials Project: {formula:Ca9B2(CCl2)4,spaceGroup:Ccmm,id:mp-569892} |
| RD_467206180343_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-774299} |
| RD_468331866600_000 | computation | Reference Data From Materials Project: {formula:Ba4Na(BO3)3,spaceGroup:Ia-3d,id:mp-6575} |
| RD_468530017451_000 | computation | Reference Data From Materials Project: {formula:BH5CN2,spaceGroup:Pna2_1,id:mp-696210} |
| RD_468839311107_000 | computation | Reference Data From Materials Project: {formula:Nd2Co14B,spaceGroup:P4_2/mnm,id:mp-4164} |
| RD_469527724742_000 | computation | Reference Data From Materials Project: {formula:B6H10C2SBr,spaceGroup:P2_12_12_1,id:mp-849797} |
| RD_469987790754_000 | computation | Reference Data From Materials Project: {formula:AgB(CN)4,spaceGroup:P-43m,id:mp-10413} |
| RD_470698668173_000 | computation | BN in AFLOW crystal prototype AB_hP4_194_b_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_470755215322_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-849990} |
| RD_470820192118_000 | computation | Reference Data From Materials Project: {formula:BaGe2B,spaceGroup:F-43m,id:mp-631556} |
| RD_470907320590_000 | computation | Reference Data From Materials Project: {formula:TiB,spaceGroup:F-43m,id:mp-10143} |
| RD_471146273152_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-779854} |
| RD_471215935234_000 | computation | Reference Data From Materials Project: {formula:YCo3B2,spaceGroup:P6/mmm,id:mp-5019} |
| RD_471320442294_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-780111} |
| RD_471501124590_000 | computation | Reference Data From Materials Project: {formula:YbBO3,spaceGroup:R-3c,id:mp-5364} |
| RD_471788263593_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_472030144117_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764507} |
| RD_473186534838_000 | computation | Reference Data From Materials Project: {formula:Li6MnFe5(BO3)6,spaceGroup:Cm,id:mp-774349} |
| RD_473268368139_000 | computation | Reference Data From Materials Project: {formula:KBF4,spaceGroup:Pmcn,id:mp-4929} |
| RD_473567263582_000 | computation | Reference Data From Materials Project: {formula:YCo4B,spaceGroup:P6/mmm,id:mp-10463} |
| RD_474080236699_000 | computation | Reference Data From Materials Project: {formula:BPt,spaceGroup:P6_3/mmc,id:mp-2192} |
| RD_474343845151_000 | computation | Reference Data From Materials Project: {formula:KZnB(PO4)2,spaceGroup:C2/c,id:mp-554673} |
| RD_474531366952_000 | computation | Reference Data From Materials Project: {formula:AgBH8C4(N2F)4,spaceGroup:P-1,id:mp-759882} |
| RD_474559234684_000 | computation | Reference Data From Materials Project: {formula:TmB6,spaceGroup:Pm-3m,id:mp-571352} |
| RD_474630108516_000 | computation | Reference Data From Materials Project: {formula:CrBO3,spaceGroup:R-3c,id:mp-19299} |
| RD_475349042677_000 | computation | Reference Data From Materials Project: {formula:KB(CN)4,spaceGroup:I4_1/a,id:mp-574060} |
| RD_475767230254_000 | computation | Reference Data From Materials Project: {formula:CsBSe3,spaceGroup:P2_1/c,id:mp-573358} |
| RD_475950627866_000 | computation | Reference Data From Materials Project: {formula:Li(BH)5,spaceGroup:P6_422,id:mp-941221} |
| RD_476227316517_000 | computation | Reference Data From Materials Project: {formula:Li3Ni(BO3)2,spaceGroup:P-1,id:mp-770880} |
| RD_476502417517_000 | computation | Reference Data From Materials Project: {formula:Sn4BRh6,spaceGroup:P6_3/mmc,id:mp-30061} |
| RD_476505458822_000 | computation | Reference Data From Materials Project: {formula:BPO4,spaceGroup:I-4,id:mp-3589} |
| RD_476508034159_000 | computation | Reference Data From Materials Project: {formula:Sc3SnB,spaceGroup:Pm-3m,id:mp-10139} |
| RD_476557132813_000 | computation | Reference Data From Materials Project: {formula:LiFeB2O5,spaceGroup:P2_1/c,id:mp-761300} |
| RD_477099197580_000 | computation | Reference Data From Materials Project: {formula:BaTaB,spaceGroup:F-43m,id:mp-631570} |
| RD_477582346698_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-779267} |
| RD_477595775589_000 | computation | Reference Data From Materials Project: {formula:RbBO2,spaceGroup:R-3c,id:mp-31358} |
| RD_477671926128_000 | computation | Reference Data From Materials Project: {formula:Tb(Ni2B)6,spaceGroup:Cmc2_1,id:mp-10124} |
| RD_478045140810_000 | computation | Reference Data From Materials Project: {formula:Sc2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-647205} |
| RD_478424032085_000 | computation | Reference Data From Materials Project: {formula:TbFe3(BO3)4,spaceGroup:P3_121,id:mp-18979} |
| RD_478558793208_000 | computation | Reference Data From Materials Project: {formula:SmB2Ru3,spaceGroup:P6/mmm,id:mp-3467} |
| RD_478638098879_000 | computation | Reference Data From Materials Project: {formula:Li2CoBO4,spaceGroup:Pmnb,id:mp-779364} |
| RD_478704408955_000 | computation | Reference Data From Materials Project: {formula:Eu(BO2)3,spaceGroup:C2/c,id:mp-22248} |
| RD_479255115822_000 | computation | Reference Data From Materials Project: {formula:ErVB4,spaceGroup:Pmcb,id:mp-10983} |
| RD_479417856975_000 | computation | Reference Data From Materials Project: {formula:B10H13CSN,spaceGroup:P2_1/c,id:mp-720402} |
| RD_479577882603_000 | computation | Reference Data From Materials Project: {formula:HfCo3B2,spaceGroup:P6/mmm,id:mp-7804} |
| RD_479788551277_000 | computation | Reference Data From Materials Project: {formula:B2O3,spaceGroup:Cmc2_1,id:mp-717} |
| RD_479946402260_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-778867} |
| RD_480629640768_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-849488} |
| RD_480833455229_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-850077} |
| RD_480951615516_000 | computation | Reference Data From Materials Project: {formula:Sr5B3BrO9,spaceGroup:C222_1,id:mp-560233} |
| RD_481003022434_000 | computation | Reference Data From Materials Project: {formula:Li9Mn4(BO3)8,spaceGroup:P1,id:mp-765264} |
| RD_481213036927_000 | computation | Reference Data From Materials Project: {formula:Cu2BH5O6,spaceGroup:Pmcn,id:mp-558794} |
| RD_481258876703_000 | computation | Reference Data From Materials Project: {formula:K2B4O7,spaceGroup:P-1,id:mp-17166} |
| RD_481330239909_000 | computation | Reference Data From Materials Project: {formula:HgB(CN)4,spaceGroup:Pcmb,id:mp-669526} |
| RD_481663751028_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_481767014026_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-778755} |
| RD_482131458956_000 | computation | Reference Data From Materials Project: {formula:VB,spaceGroup:Cmcm,id:mp-9973} |
| RD_482267105753_000 | computation | Reference Data From Materials Project: {formula:GdCo3B2,spaceGroup:P6/mmm,id:mp-21252} |
| RD_482270585881_000 | computation | Reference Data From Materials Project: {formula:Ba4Pr7Si12BN27,spaceGroup:P-6,id:mp-695596} |
| RD_482552258665_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-850166} |
| RD_482842333335_000 | computation | Reference Data From Materials Project: {formula:Fe(BO2)2,spaceGroup:P2_1/c,id:mp-566036} |
| RD_482945720710_000 | computation | Reference Data From Materials Project: {formula:Pr2B3Cl,spaceGroup:P6_3/mmc,id:mp-567730} |
| RD_483017391474_000 | computation | Reference Data From Materials Project: {formula:BaY6Si3B6(O12F)2,spaceGroup:P3m1,id:mp-554918} |
| RD_483039591395_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-779234} |
| RD_483206839451_000 | computation | Reference Data From Materials Project: {formula:LiMg9B20,spaceGroup:P-1,id:mp-35040} |
| RD_483321905422_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764626} |
| RD_483435868971_000 | computation | Reference Data From Materials Project: {formula:RbZnB(PO4)2,spaceGroup:P-1,id:mp-557658} |
| RD_483474843199_000 | computation | Reference Data From Materials Project: {formula:PrBO3,spaceGroup:Pnma,id:mp-861504} |
| RD_483816239847_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-780512} |
| RD_484011768406_000 | computation | Reference Data From Materials Project: {formula:Na3VSiBO7,spaceGroup:P2_1/m,id:mp-771491} |
| RD_484379931620_000 | computation | Reference Data From Materials Project: {formula:Ce3(BN2)2,spaceGroup:Immm,id:mp-3603} |
| RD_484518879984_000 | computation | Reference Data From Materials Project: {formula:B2W,spaceGroup:P6_3/mmc,id:mp-569803} |
| RD_484839454851_000 | computation | Reference Data From Materials Project: {formula:Zn3B7BrO13,spaceGroup:Pca2_1,id:mp-659217} |
| RD_485394678057_000 | computation | Reference Data From Materials Project: {formula:CaB3H5O8,spaceGroup:P2_1/c,id:mp-705495} |
| RD_485410222340_000 | computation | Reference Data From Materials Project: {formula:DyB2,spaceGroup:P6/mmm,id:mp-2057} |
| RD_486085446774_000 | computation | Reference Data From Materials Project: {formula:K2Al2B2O7,spaceGroup:P321,id:mp-560217} |
| RD_486323445346_000 | computation | Reference Data From Materials Project: {formula:VBO3,spaceGroup:R-3c,id:mp-18946} |
| RD_486373379411_000 | computation | BHf in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_486859526349_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:Pm,id:mp-850179} |
| RD_487350772752_000 | computation | Reference Data From Materials Project: {formula:Ag2B8O13,spaceGroup:P2_1/c,id:mp-554873} |
| RD_487352212276_000 | computation | Reference Data From Materials Project: {formula:SrGaBO4,spaceGroup:Pnaa,id:mp-556343} |
| RD_487590326379_000 | computation | Reference Data From Materials Project: {formula:KGaBP2H3O10,spaceGroup:P1,id:mp-695655} |
| RD_487905350519_000 | computation | Reference Data From Materials Project: {formula:Nd3(BN2)2,spaceGroup:Immm,id:mp-29588} |
| RD_488265770718_000 | computation | Reference Data From Materials Project: {formula:LiNiBO3,spaceGroup:P2_1/c,id:mp-761303} |
| RD_488311650932_000 | computation | Reference Data From Materials Project: {formula:CsGeB3O7,spaceGroup:P2_1nb,id:mp-558804} |
| RD_488359635346_000 | computation | Reference Data From Materials Project: {formula:DyBPd3,spaceGroup:Pm-3m,id:mp-10060} |
| RD_488961957818_000 | computation | Reference Data From Materials Project: {formula:B5H7,spaceGroup:P2/c,id:mp-706630} |
| RD_489096410166_000 | computation | Reference Data From Materials Project: {formula:Ba4Nd7Si12BN27,spaceGroup:P-6,id:mp-695553} |
| RD_489760148107_000 | computation | Reference Data From Materials Project: {formula:Na6B4Sb2PO16,spaceGroup:Fd3,id:mp-780399} |
| RD_489905748815_000 | computation | Reference Data From Materials Project: {formula:Li3Mn2Fe(BO3)3,spaceGroup:Pm,id:mp-779888} |
| RD_490228871344_000 | computation | Reference Data From Materials Project: {formula:Eu3(B3Rh4)2,spaceGroup:Fmmm,id:mp-672322} |
| RD_490297951095_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764552} |
| RD_490784634395_000 | computation | Reference Data From Materials Project: {formula:Na2SiBiBO7,spaceGroup:P2_1/m,id:mp-772999} |
| RD_491669192938_000 | computation | Reference Data From Materials Project: {formula:Na6Cr2B4SO16,spaceGroup:Fd3,id:mp-853192} |
| RD_491713639261_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-775238} |
| RD_491958696595_000 | computation | Reference Data From Materials Project: {formula:CeReB4,spaceGroup:Pmcb,id:mp-22361} |
| RD_492027309524_000 | computation | Reference Data From Materials Project: {formula:YbCoB4,spaceGroup:Pmcb,id:mp-22622} |
| RD_492426879361_000 | computation | Reference Data From Materials Project: {formula:CeBPd3,spaceGroup:Pm-3m,id:mp-19948} |
| RD_492678189247_000 | computation | Reference Data From Materials Project: {formula:NbCoB2,spaceGroup:Pmnb,id:mp-20877} |
| RD_492785956921_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-780850} |
| RD_493281927443_000 | computation | Reference Data From Materials Project: {formula:B9C,spaceGroup:P1,id:mp-633538} |
| RD_493331414487_000 | computation | Reference Data From Materials Project: {formula:Sc3InB,spaceGroup:Pm-3m,id:mp-19726} |
| RD_493560304902_000 | computation | Reference Data From Materials Project: {formula:Na3CuB8H17O23,spaceGroup:P-1,id:mp-722906} |
| RD_493610085126_000 | computation | Reference Data From Materials Project: {formula:Li5B4,spaceGroup:Cm,id:mp-632822} |
| RD_493934191877_000 | computation | Reference Data From Materials Project: {formula:GdFe3(BO3)4,spaceGroup:R32,id:mp-638598} |
| RD_494303626809_000 | computation | Reference Data From Materials Project: {formula:LiCoB2O5,spaceGroup:C2/c,id:mp-773219} |
| RD_494346268953_000 | computation | Reference Data From Materials Project: {formula:Na3MnSiBO7,spaceGroup:P2_1/m,id:mp-773957} |
| RD_494430478746_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Cm,id:mp-849503} |
| RD_495325098247_000 | computation | Reference Data From Materials Project: {formula:Gd3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-680293} |
| RD_495358646990_000 | computation | Reference Data From Materials Project: {formula:Li6Fe2B4SO16,spaceGroup:Fd3,id:mp-770526} |
| RD_495443995194_000 | computation | Reference Data From Materials Project: {formula:Li3Ti(BO3)2,spaceGroup:P2_1/c,id:mp-770194} |
| RD_496095654278_000 | computation | Reference Data From Materials Project: {formula:Li3MnFe2(BO3)3,spaceGroup:Cm,id:mp-774348} |
| RD_496299249682_000 | computation | Reference Data From Materials Project: {formula:Fe2B,spaceGroup:P4/mmm,id:mp-568748} |
| RD_496374920744_000 | computation | Reference Data From Materials Project: {formula:Hg3(BO3)2,spaceGroup:R-3c,id:mp-4710} |
| RD_496496056930_000 | computation | Reference Data From Materials Project: {formula:Ba(BS2)2,spaceGroup:Cc,id:mp-30126} |
| RD_496616396640_000 | computation | Reference Data From Materials Project: {formula:LiFeBO3,spaceGroup:Cc,id:mp-777711} |
| RD_496665694892_000 | computation | Reference Data From Materials Project: {formula:CsB3H8,spaceGroup:Ccmm,id:mp-28582} |
| RD_496815922742_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:Cc,id:mp-773566} |
| RD_497001667047_000 | computation | Reference Data From Materials Project: {formula:Sr3BCNCl2,spaceGroup:Pmcn,id:mp-616577} |
| RD_497129971553_000 | computation | Reference Data From Materials Project: {formula:BaTaB,spaceGroup:F-43m,id:mp-631570} |
| RD_497173299368_000 | computation | Reference Data From Materials Project: {formula:BH6N,spaceGroup:Pn2_1m,id:mp-569187} |
| RD_497384730140_000 | computation | Reference Data From Materials Project: {formula:B2TeO5,spaceGroup:C2/c,id:mp-768235} |
| RD_497697029519_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Cm,id:mp-850178} |
| RD_497877475617_000 | computation | Reference Data From Materials Project: {formula:Sr(BS2)2,spaceGroup:R-3,id:mp-11012} |
| RD_498040028756_000 | computation | Reference Data From Materials Project: {formula:ScBIr3,spaceGroup:Pm-3m,id:mp-10113} |
| RD_498258909373_000 | computation | Reference Data From Materials Project: {formula:RbLi2Co2(BO3)3,spaceGroup:P2/c,id:mp-770633} |
| RD_498381602509_000 | computation | BC in AFLOW crystal prototype AB5_aP12_2_i_5i. 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_498820293183_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764588} |
| RD_499595518909_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P-1,id:mp-780583} |
| RD_499663275236_000 | computation | Reference Data From Materials Project: {formula:KSc(BH4)4,spaceGroup:Pnma,id:mp-866638} |
| RD_499918582907_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764536} |
| RD_500012964068_000 | computation | Reference Data From Materials Project: {formula:K3AlB8O15,spaceGroup:P2_1/c,id:mp-561447} |
| RD_500237412169_000 | computation | Reference Data From Materials Project: {formula:Sc3SnB,spaceGroup:Pm-3m,id:mp-10139} |
| RD_500309295856_000 | computation | Reference Data From Materials Project: {formula:Li5B4,spaceGroup:R3m,id:mp-27658} |
| RD_501046212679_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:Pc,id:mp-771068} |
| RD_501049496974_000 | computation | Reference Data From Materials Project: {formula:MgB2P2H8O13,spaceGroup:P2_1/c,id:mp-542843} |
| RD_501127804371_000 | computation | Reference Data From Materials Project: {formula:Fe2BO4,spaceGroup:Pmnb,id:mp-505613} |
| RD_501157385202_000 | computation | Reference Data From Materials Project: {formula:LiCoBO3,spaceGroup:P2_1/c,id:mp-770007} |
| RD_501213885309_000 | computation | Reference Data From Materials Project: {formula:MgB2,spaceGroup:P6/mmm,id:mp-763} |
| RD_501467670536_000 | computation | Reference Data From Materials Project: {formula:Dy(BC)2,spaceGroup:P4/mbm,id:mp-2958} |
| RD_501673313358_000 | computation | Reference Data From Materials Project: {formula:HfB4Ir3,spaceGroup:P6_3/m,id:mp-13861} |
| RD_501948013810_000 | computation | Reference Data From Materials Project: {formula:CaSiBHO5,spaceGroup:P2_1/c,id:mp-554371} |
| RD_502327346093_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-780149} |
| RD_502767058210_000 | computation | Reference Data From Materials Project: {formula:B2PCl2,spaceGroup:Pbna,id:mp-28426} |
| RD_502837028345_000 | computation | Reference Data From Materials Project: {formula:La3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-6084} |
| RD_503184230389_000 | computation | Reference Data From Materials Project: {formula:Ba3La2(BO3)4,spaceGroup:Pnam,id:mp-6446} |
| RD_503405754807_000 | computation | Reference Data From Materials Project: {formula:Na6Fe2B4SO16,spaceGroup:Fd3,id:mp-770356} |
| RD_503685819824_000 | computation | Reference Data From Materials Project: {formula:SrGaBO4,spaceGroup:Pmcb,id:mp-554053} |
| RD_503920485155_000 | computation | Reference Data From Materials Project: {formula:Er4(B2O5)3,spaceGroup:C2/c,id:mp-772497} |
| RD_504007075942_000 | computation | Reference Data From Materials Project: {formula:Na3B7O12,spaceGroup:P-1,id:mp-31073} |
| RD_504730069598_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P-1,id:mp-780198} |
| RD_504756483502_000 | computation | Reference Data From Materials Project: {formula:CsB9O13,spaceGroup:P4_122,id:mp-531006} |
| RD_505412303031_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-776789} |
| RD_505940067716_000 | computation | Reference Data From Materials Project: {formula:Lu(BO2)3,spaceGroup:Pmcn,id:mp-680724} |
| RD_506341807866_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-779335} |
| RD_506435652069_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764891} |
| RD_506589948899_000 | computation | Reference Data From Materials Project: {formula:HoCo3B2,spaceGroup:P6/mmm,id:mp-5313} |
| RD_506684047120_000 | computation | Reference Data From Materials Project: {formula:LiCaBO3,spaceGroup:Ibca,id:mp-966801} |
| RD_506722057153_000 | computation | Reference Data From Materials Project: {formula:BAsO4,spaceGroup:P3_121,id:mp-11654} |
| RD_507773176955_000 | computation | Reference Data From Materials Project: {formula:Na3MnBPO7,spaceGroup:P2_1/m,id:mp-770015} |
| RD_508073159307_000 | computation | Reference Data From Materials Project: {formula:Pr5Co19B6,spaceGroup:P6/mmm,id:mp-542034} |
| RD_508634460610_000 | computation | Reference Data From Materials Project: {formula:LiNiBO3,spaceGroup:P-6,id:mp-778543} |
| RD_508848390611_000 | computation | Reference Data From Materials Project: {formula:Eu2B4Rh5,spaceGroup:Fmmm,id:mp-570529} |
| RD_509287179585_000 | computation | Reference Data From Materials Project: {formula:Sr(BRh)2,spaceGroup:Fddd,id:mp-7348} |
| RD_509371130961_000 | computation | Reference Data From Materials Project: {formula:TmB2Ru3,spaceGroup:P6/mmm,id:mp-5620} |
| RD_509458524145_000 | computation | Reference Data From Materials Project: {formula:LaBPt2,spaceGroup:P6_222,id:mp-31052} |
| RD_509484108648_000 | computation | Reference Data From Materials Project: {formula:Ca2CuB2(HO)12,spaceGroup:P-1,id:mp-752783} |
| RD_510069953875_000 | computation | Reference Data From Materials Project: {formula:CeB4,spaceGroup:P4/mbm,id:mp-1974} |
| RD_510501888734_000 | computation | Reference Data From Materials Project: {formula:Na4Bi2B4SO16,spaceGroup:Fddd,id:mp-779161} |
| RD_510660136168_000 | computation | Reference Data From Materials Project: {formula:SmBO3,spaceGroup:C2cm,id:mp-760477} |
| RD_511293616187_000 | computation | Reference Data From Materials Project: {formula:B2O3,spaceGroup:P3_121,id:mp-306} |
| RD_511316834206_000 | computation | Reference Data From Materials Project: {formula:BPt3,spaceGroup:P6_3/mmc,id:mp-861943} |
| RD_511630346198_000 | computation | Reference Data From Materials Project: {formula:Rb3B12H12Br,spaceGroup:R-3m,id:mp-24796} |
| RD_511844646399_000 | computation | Reference Data From Materials Project: {formula:Ca(BH4)2,spaceGroup:Pbca,id:mp-966591} |
| RD_512014610365_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764490} |
| RD_512029404116_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-777250} |
| RD_512203325590_000 | computation | Reference Data From Materials Project: {formula:Tb3BWO9,spaceGroup:P6_3,id:mp-645218} |
| RD_512677735341_000 | computation | Reference Data From Materials Project: {formula:BPH9C2,spaceGroup:P2_1/c,id:mp-758984} |
| RD_512701905141_000 | computation | Reference Data From Materials Project: {formula:TbNi2B2C,spaceGroup:I4/mmm,id:mp-6092} |
| RD_512742911405_000 | computation | Reference Data From Materials Project: {formula:Li2BPd3,spaceGroup:P4_332,id:mp-20657} |
| RD_512787663583_000 | computation | Reference Data From Materials Project: {formula:RbBF4,spaceGroup:Pmcn,id:mp-3032} |
| RD_513325516956_000 | computation | Reference Data From Materials Project: {formula:Na3Nd(BO3)2,spaceGroup:P2_1/c,id:mp-558805} |
| RD_513364510048_000 | computation | Reference Data From Materials Project: {formula:B10H13,spaceGroup:P2_1/c,id:mp-706664} |
| RD_513738788743_000 | computation | Reference Data From Materials Project: {formula:Sc2CrB6,spaceGroup:Pmcb,id:mp-510306} |
| RD_513915970343_000 | computation | Reference Data From Materials Project: {formula:Fe3BO6,spaceGroup:Pcmn,id:mp-25746} |
| RD_514308919134_000 | computation | Reference Data From Materials Project: {formula:Sr(BO2)2,spaceGroup:Pbna,id:mp-9749} |
| RD_514348631564_000 | computation | Reference Data From Materials Project: {formula:GdB6,spaceGroup:Pm-3m,id:mp-22266} |
| RD_514453323575_000 | computation | Reference Data From Materials Project: {formula:ZnB8(H2N)4,spaceGroup:P4_2/nmc,id:mp-720897} |
| RD_515441534915_000 | computation | Reference Data From Materials Project: {formula:HoCo(BO2)5,spaceGroup:P2_1/c,id:mp-19465} |
| RD_515892653034_000 | computation | Reference Data From Materials Project: {formula:CeBPd3,spaceGroup:Pm-3m,id:mp-19948} |
| RD_517407607754_000 | computation | Reference Data From Materials Project: {formula:SrBPO5,spaceGroup:P3_121,id:mp-6486} |
| RD_517574149305_000 | computation | Reference Data From Materials Project: {formula:NpB2,spaceGroup:P6/mmm,id:mp-1083} |
| RD_517763867937_000 | computation | Reference Data From Materials Project: {formula:GdAl3(BO3)4,spaceGroup:R32,id:mp-15359} |
| RD_518048628370_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764517} |
| RD_518360030978_000 | computation | Reference Data From Materials Project: {formula:SiBAu,spaceGroup:F-43m,id:mp-631562} |
| RD_518651717671_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764873} |
| RD_518683972233_000 | computation | Reference Data From Materials Project: {formula:NaCaB5H8O13,spaceGroup:P2_1/c,id:mp-705528} |
| RD_518730196854_000 | computation | Reference Data From Materials Project: {formula:Na6Mn2B4AsO16,spaceGroup:Fd3,id:mp-770785} |
| RD_518814248275_000 | computation | Reference Data From Materials Project: {formula:LiBH15C5NO3,spaceGroup:P2_1/c,id:mp-556018} |
| RD_519226768542_000 | computation | Reference Data From Materials Project: {formula:Dy4(B2O5)3,spaceGroup:C2/c,id:mp-18108} |
| RD_520291304716_000 | computation | Reference Data From Materials Project: {formula:Pr3BWO9,spaceGroup:P6_3,id:mp-566052} |
| RD_520296039742_000 | computation | Reference Data From Materials Project: {formula:NaB5H10O13,spaceGroup:C2/c,id:mp-540721} |
| RD_520984475908_000 | computation | Reference Data From Materials Project: {formula:Y(BC)2,spaceGroup:P4_2/mmc,id:mp-15955} |
| RD_521474652076_000 | computation | Reference Data From Materials Project: {formula:Li2Fe(BO3)2,spaceGroup:P2_1/c,id:mp-767828} |
| RD_521512038296_000 | computation | Reference Data From Materials Project: {formula:LiCuBO3,spaceGroup:P-1,id:mp-753416} |
| RD_521653130955_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-780320} |
| RD_522449930502_000 | computation | Reference Data From Materials Project: {formula:Ho(NiB)2,spaceGroup:C2/c,id:mp-31009} |
| RD_522535709247_000 | computation | Reference Data From Materials Project: {formula:YbB2,spaceGroup:P6/mmm,id:mp-10145} |
| RD_522643341184_000 | computation | Reference Data From Materials Project: {formula:Mg2BO3F,spaceGroup:Pmnb,id:mp-7995} |
| RD_522728227351_000 | computation | Reference Data From Materials Project: {formula:Lu5Ni19B6,spaceGroup:P6/mmm,id:mp-8531} |
| RD_523405500258_000 | computation | Reference Data From Materials Project: {formula:Ba3Lu(BO3)3,spaceGroup:P6_3cm,id:mp-14386} |
| RD_523860064159_000 | computation | Reference Data From Materials Project: {formula:YB12,spaceGroup:Fm-3m,id:mp-7817} |
| RD_523869324615_000 | computation | Reference Data From Materials Project: {formula:ThB4,spaceGroup:P4/mbm,id:mp-542573} |
| RD_524090457558_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-849258} |
| RD_524211971935_000 | computation | Reference Data From Materials Project: {formula:Li3Mn2Fe(BO3)3,spaceGroup:Pm,id:mp-778859} |
| RD_525146246892_000 | computation | Reference Data From Materials Project: {formula:B12S,spaceGroup:R-3m,id:mp-555170} |
| RD_525264171088_000 | computation | Reference Data From Materials Project: {formula:InBF4,spaceGroup:Pmcn,id:mp-8586} |
| RD_525269446105_000 | computation | Reference Data From Materials Project: {formula:Ce(BO2)3,spaceGroup:P2_1/c,id:mp-558621} |
| RD_525507329763_000 | computation | Reference Data From Materials Project: {formula:Y3(Fe31B7)2,spaceGroup:Im-3m,id:mp-28618} |
| RD_525563345839_000 | computation | Reference Data From Materials Project: {formula:LiB(CO2)4,spaceGroup:Pnma,id:mp-556165} |
| RD_525739281423_000 | computation | Reference Data From Materials Project: {formula:Ni23B6,spaceGroup:Fm-3m,id:mp-20962} |
| RD_525764247270_000 | computation | BO in AFLOW crystal prototype A2B3_hP15_144_2a_3a. 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_525788793692_000 | computation | Reference Data From Materials Project: {formula:Na2Al2B2O7,spaceGroup:P-31c,id:mp-554041} |
| RD_526886941610_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3/mmc,id:mp-984} |
| RD_526950633751_000 | computation | Reference Data From Materials Project: {formula:Nb3B2,spaceGroup:P4/mbm,id:mp-20689} |
| RD_527433967554_000 | computation | Reference Data From Materials Project: {formula:MgBIr,spaceGroup:P6_222,id:mp-569048} |
| RD_527680978800_000 | computation | Reference Data From Materials Project: {formula:Tl2B2Se7,spaceGroup:C2/c,id:mp-16183} |
| RD_528316802935_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P-1,id:mp-781069} |
| RD_528540006617_000 | computation | Reference Data From Materials Project: {formula:BPd2Br,spaceGroup:F-43m,id:mp-631580} |
| RD_528595301706_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_528866814745_000 | computation | Reference Data From Materials Project: {formula:YAl3(BO3)4,spaceGroup:R32,id:mp-6062} |
| RD_529320186151_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-778827} |
| RD_529591973823_000 | computation | Reference Data From Materials Project: {formula:AgBTe4C2(O3F10)2,spaceGroup:P-1,id:mp-557494} |
| RD_530343520271_000 | computation | Reference Data From Materials Project: {formula:Bi2(BO3)3,spaceGroup:P6_3/m,id:mp-755446} |
| RD_530383506500_000 | computation | Reference Data From Materials Project: {formula:PrBPd3,spaceGroup:Pm-3m,id:mp-2976} |
| RD_530984180688_000 | computation | Reference Data From Materials Project: {formula:FeB2,spaceGroup:P6/mmm,id:mp-569376} |
| RD_531828790737_000 | computation | Reference Data From Materials Project: {formula:Cu3B4Pb2O11,spaceGroup:P2/c,id:mp-560136} |
| RD_532037424927_000 | computation | Reference Data From Materials Project: {formula:ErFe4B,spaceGroup:P6/mmm,id:mp-3045} |
| RD_532046159078_000 | computation | Reference Data From Materials Project: {formula:Ba7B4S13,spaceGroup:C2/c,id:mp-562764} |
| RD_532482528849_000 | computation | Reference Data From Materials Project: {formula:CsBe4Al4(B3O7)4,spaceGroup:P-43m,id:mp-540725} |
| RD_533028827802_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764654} |
| RD_533759880748_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-775257} |
| RD_534123297998_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764824} |
| RD_534140095443_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764528} |
| RD_534229856324_000 | computation | Reference Data From Materials Project: {formula:TaB,spaceGroup:Cmcm,id:mp-1097} |
| RD_534363915072_000 | computation | Reference Data From Materials Project: {formula:Y3(Fe31B7)2,spaceGroup:Im-3m,id:mp-28618} |
| RD_534849898364_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-779167} |
| RD_535095153339_000 | computation | Reference Data From Materials Project: {formula:BRh2,spaceGroup:Pmnb,id:mp-21502} |
| RD_535221519528_000 | computation | Reference Data From Materials Project: {formula:Li3MnFe2(BO3)3,spaceGroup:Pm,id:mp-778683} |
| RD_535258093706_000 | computation | Reference Data From Materials Project: {formula:BHO2,spaceGroup:P-43n,id:mp-721851} |
| RD_535564709795_000 | computation | Reference Data From Materials Project: {formula:Ba8B5N10F,spaceGroup:P-1,id:mp-561502} |
| RD_536040110738_000 | computation | Reference Data From Materials Project: {formula:BHO2,spaceGroup:Pbnm,id:mp-722202} |
| RD_536459101938_000 | computation | Reference Data From Materials Project: {formula:B6H10N,spaceGroup:Fm3,id:mp-31064} |
| RD_536606852844_000 | computation | Reference Data From Materials Project: {formula:RbNa2BO3,spaceGroup:Pnmm,id:mp-8872} |
| RD_537510672035_000 | computation | Reference Data From Materials Project: {formula:ScB2,spaceGroup:Fd-3m,id:mp-568384} |
| RD_538083345863_000 | computation | Reference Data From Materials Project: {formula:BH3NF3,spaceGroup:Pcab,id:mp-24160} |
| RD_538507290561_000 | computation | BHf in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_538878901920_000 | computation | Reference Data From Materials Project: {formula:B2O,spaceGroup:P-3m1,id:mp-614006} |
| RD_539086161344_000 | computation | Reference Data From Materials Project: {formula:CaB2H10O9,spaceGroup:P-1,id:mp-24065} |
| RD_539297576712_000 | computation | Reference Data From Materials Project: {formula:Ca3(BN2)2,spaceGroup:Pnmn,id:mp-531265} |
| RD_540300217377_000 | computation | Reference Data From Materials Project: {formula:CaB2(H7N)2,spaceGroup:Pbcn,id:mp-866308} |
| RD_540515063763_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-851005} |
| RD_540531742624_000 | computation | Reference Data From Materials Project: {formula:Cr2B3,spaceGroup:Cmcm,id:mp-12054} |
| RD_540774994907_000 | computation | Reference Data From Materials Project: {formula:TiBO3,spaceGroup:R-3c,id:mp-9716} |
| RD_540894993980_000 | computation | Reference Data From Materials Project: {formula:Sr4Li(BO3)3,spaceGroup:Ia-3d,id:mp-554003} |
| RD_540992032511_000 | computation | Reference Data From Materials Project: {formula:SrBPO5,spaceGroup:P3_221,id:mp-558022} |
| RD_541250954278_000 | computation | Reference Data From Materials Project: {formula:Na3Mg(BO2)5,spaceGroup:Pbca,id:mp-683990} |
| RD_541381121273_000 | computation | Reference Data From Materials Project: {formula:Si2Ni6B,spaceGroup:P-62m,id:mp-4720} |
| RD_541983576559_000 | computation | Reference Data From Materials Project: {formula:LiCoBO3,spaceGroup:P-1,id:mp-769828} |
| RD_541987819274_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-779197} |
| RD_542118474171_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:Cc,id:mp-850522} |
| RD_542519678566_000 | computation | Reference Data From Materials Project: {formula:DyB2,spaceGroup:P6/mmm,id:mp-2057} |
| RD_542610434559_000 | computation | Reference Data From Materials Project: {formula:YbBa3(BO3)3,spaceGroup:P6_3cm,id:mp-6131} |
| RD_542626598782_000 | computation | Reference Data From Materials Project: {formula:TmNi4B,spaceGroup:P6/mmm,id:mp-10129} |
| RD_542642227812_000 | computation | Reference Data From Materials Project: {formula:Li6Mn5Fe(BO3)6,spaceGroup:Pm,id:mp-779841} |
| RD_542766138636_000 | computation | Reference Data From Materials Project: {formula:Tl3BO3,spaceGroup:P6_3/m,id:mp-4584} |
| RD_542770652925_000 | computation | Reference Data From Materials Project: {formula:Na3La2(BO3)3,spaceGroup:Cm2m,id:mp-560129} |
| RD_542786759805_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_543017632015_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_543067114419_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764677} |
| RD_543259811379_000 | computation | Reference Data From Materials Project: {formula:Na6Cr2B4PO16,spaceGroup:Fd3,id:mp-780628} |
| RD_543818522182_000 | computation | Reference Data From Materials Project: {formula:LaNiBN,spaceGroup:P4/nmm,id:mp-20881} |
| RD_544388307492_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-781062} |
| RD_544641828000_000 | computation | Reference Data From Materials Project: {formula:TaNiB2,spaceGroup:Pmnb,id:mp-22709} |
| RD_544907564001_000 | computation | Reference Data From Materials Project: {formula:La(Ni2B)6,spaceGroup:Cmc2_1,id:mp-14325} |
| RD_544930209306_000 | computation | Reference Data From Materials Project: {formula:Gd3BWO9,spaceGroup:P6_3,id:mp-565583} |
| RD_545134099404_000 | computation | Reference Data From Materials Project: {formula:BSbO3,spaceGroup:P-1,id:mp-753806} |
| RD_545447885382_000 | computation | Reference Data From Materials Project: {formula:NbB,spaceGroup:Cmcm,id:mp-2580} |
| RD_545486595961_000 | computation | Reference Data From Materials Project: {formula:HoB2Ru3,spaceGroup:P6/mmm,id:mp-2985} |
| RD_545751381770_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:Pmcn,id:mp-644751} |
| RD_545938484853_000 | computation | Reference Data From Materials Project: {formula:ScBRh3,spaceGroup:Pm-3m,id:mp-569875} |
| RD_546018310659_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764590} |
| RD_546128129103_000 | computation | Reference Data From Materials Project: {formula:La2B3Cl,spaceGroup:P-6,id:mp-569121} |
| RD_546415103070_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-850374} |
| RD_546427677266_000 | computation | Reference Data From Materials Project: {formula:ScNiB4,spaceGroup:Pmcb,id:mp-21081} |
| RD_546717180193_000 | computation | Reference Data From Materials Project: {formula:NaAl6Fe3Si6B3H3O30F,spaceGroup:R3m,id:mp-863289} |
| RD_547275029210_000 | computation | Reference Data From Materials Project: {formula:KBCF6,spaceGroup:P2_1/c,id:mp-559721} |
| RD_547351194751_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-850375} |
| RD_548496278513_000 | computation | Reference Data From Materials Project: {formula:K3B17,spaceGroup:I4/mmm,id:mp-684709} |
| RD_548867593629_000 | computation | Reference Data From Materials Project: {formula:Li7Mn8(BO3)8,spaceGroup:P1,id:mp-779313} |
| RD_549624175598_000 | computation | Reference Data From Materials Project: {formula:TmBRh3,spaceGroup:Pm-3m,id:mp-5438} |
| RD_549744404937_000 | computation | Reference Data From Materials Project: {formula:EuNi2B2C,spaceGroup:I4/mmm,id:mp-21064} |
| RD_550238151834_000 | computation | Reference Data From Materials Project: {formula:Sc3TlB,spaceGroup:Pm-3m,id:mp-10140} |
| RD_550524006429_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-778920} |
| RD_551591671709_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764749} |
| RD_551638697909_000 | computation | Reference Data From Materials Project: {formula:ErNi2B2C,spaceGroup:I4/mmm,id:mp-6098} |
| RD_551707426926_000 | computation | Reference Data From Materials Project: {formula:Sc2BC2,spaceGroup:I4/mmm,id:mp-10343} |
| RD_552460770304_000 | computation | Reference Data From Materials Project: {formula:CeSiBO5,spaceGroup:P3_1,id:mp-22225} |
| RD_552838752524_000 | computation | Reference Data From Materials Project: {formula:GdBO3,spaceGroup:P6_3/mmc,id:mp-633113} |
| RD_553455893404_000 | computation | Reference Data From Materials Project: {formula:NiBiB,spaceGroup:F-43m,id:mp-631538} |
| RD_553461107929_000 | computation | Reference Data From Materials Project: {formula:GdBO3,spaceGroup:P6_3/mmc,id:mp-561949} |
| RD_553769577984_000 | computation | Reference Data From Materials Project: {formula:UB4,spaceGroup:P4/mbm,id:mp-619} |
| RD_553838743648_000 | computation | Reference Data From Materials Project: {formula:Li6MnFe5(BO3)6,spaceGroup:Pm,id:mp-779859} |
| RD_553893784096_000 | computation | Reference Data From Materials Project: {formula:Ba3In(BO3)3,spaceGroup:R-3,id:mp-866313} |
| RD_554088781588_000 | computation | Reference Data From Materials Project: {formula:MgBe2B,spaceGroup:F-43m,id:mp-631564} |
| RD_554224597301_000 | computation | Reference Data From Materials Project: {formula:LiSi2BO6,spaceGroup:P2_1,id:mp-556531} |
| RD_554511972882_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_554562371604_000 | computation | Reference Data From Materials Project: {formula:Li3MnFe2(BO3)3,spaceGroup:Pm,id:mp-779856} |
| RD_556072043118_000 | computation | Reference Data From Materials Project: {formula:BaB2F8,spaceGroup:C2/m,id:mp-558430} |
| RD_556224446653_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-781955} |
| RD_556911614630_000 | computation | Reference Data From Materials Project: {formula:Sr7SiB3NO13,spaceGroup:P6_3,id:mp-720338} |
| RD_557050332926_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-850396} |
| RD_557333642472_000 | computation | Reference Data From Materials Project: {formula:Ce2B2Ir5,spaceGroup:R-3m,id:mp-30898} |
| RD_557989211673_000 | computation | Reference Data From Materials Project: {formula:Li3CrSiBO7,spaceGroup:P2_1/m,id:mp-773206} |
| RD_558066510133_000 | computation | Reference Data From Materials Project: {formula:Ca(BH4)2,spaceGroup:Pcab,id:mp-570194} |
| RD_558126375323_000 | computation | Reference Data From Materials Project: {formula:Li3Fe(BO2)5,spaceGroup:P-1,id:mp-761304} |
| RD_558294683818_000 | computation | Reference Data From Materials Project: {formula:LuB2,spaceGroup:P6/mmm,id:mp-11219} |
| RD_558306349574_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-774410} |
| RD_558459130587_000 | computation | Reference Data From Materials Project: {formula:LiB6O9F,spaceGroup:Pna2_1,id:mp-558105} |
| RD_558632141317_000 | computation | Reference Data From Materials Project: {formula:BP,spaceGroup:F-43m,id:mp-1479} |
| RD_558759684726_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-778551} |
| RD_558961916282_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764535} |
| RD_558969054584_000 | computation | Reference Data From Materials Project: {formula:Zn3(BO3)2,spaceGroup:C2/c,id:mp-542833} |
| RD_559119273170_000 | computation | Reference Data From Materials Project: {formula:BH4N,spaceGroup:Pcmb,id:mp-27341} |
| RD_559390893680_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-766609} |
| RD_559653886473_000 | computation | Reference Data From Materials Project: {formula:Ca2BN2Cl,spaceGroup:Pmcn,id:mp-23632} |
| RD_560074962839_000 | computation | Reference Data From Materials Project: {formula:Li6Sn2B4SO16,spaceGroup:Fd3,id:mp-769001} |
| RD_560166885442_000 | computation | Reference Data From Materials Project: {formula:Y3ReB7,spaceGroup:Cmcm,id:mp-7625} |
| RD_560882218220_000 | computation | Reference Data From Materials Project: {formula:B6P,spaceGroup:R-3m,id:mp-28395} |
| RD_561004299912_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764665} |
| RD_561119619851_000 | computation | Reference Data From Materials Project: {formula:B2W,spaceGroup:P6/mmm,id:mp-10144} |
| RD_561279380668_000 | computation | Reference Data From Materials Project: {formula:Na2BiBSO7,spaceGroup:P2_1/m,id:mp-772048} |
| RD_561475521378_000 | computation | Reference Data From Materials Project: {formula:MgB4O7,spaceGroup:Pbca,id:mp-14234} |
| RD_561841353461_000 | computation | Reference Data From Materials Project: {formula:Li3MnFe2(BO3)3,spaceGroup:Pm,id:mp-774373} |
| RD_562016766662_000 | computation | Reference Data From Materials Project: {formula:K3Nb3(BO6)2,spaceGroup:P31m,id:mp-558828} |
| RD_562254907973_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Pm,id:mp-849508} |
| RD_562496190680_000 | computation | Reference Data From Materials Project: {formula:Co23B6,spaceGroup:Fm-3m,id:mp-639154} |
| RD_562624443565_000 | computation | Reference Data From Materials Project: {formula:SnBO3,spaceGroup:Cc,id:mp-772724} |
| RD_562837276221_000 | computation | Reference Data From Materials Project: {formula:Na2Al2B2O7,spaceGroup:P-31c,id:mp-554041} |
| RD_563018510674_000 | computation | Reference Data From Materials Project: {formula:UB2Os3,spaceGroup:P6/mmm,id:mp-10132} |
| RD_563146792861_000 | computation | Reference Data From Materials Project: {formula:Na3FeBPO7,spaceGroup:P2_1/m,id:mp-771743} |
| RD_563290094419_000 | computation | Reference Data From Materials Project: {formula:NdAl3(BO3)4,spaceGroup:R32,id:mp-7337} |
| RD_563730104070_000 | computation | Reference Data From Materials Project: {formula:NdBO3,spaceGroup:Pmnb,id:mp-7238} |
| RD_563833875512_000 | computation | Reference Data From Materials Project: {formula:Na3Ni(BO3)2,spaceGroup:P2_1/c,id:mp-773407} |
| RD_563957404926_000 | computation | Reference Data From Materials Project: {formula:NdBPt2,spaceGroup:P6_222,id:mp-569341} |
| RD_564219817228_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-850260} |
| RD_564453985231_000 | computation | Reference Data From Materials Project: {formula:Ca5Ni15B4,spaceGroup:P6_3/mmc,id:mp-28170} |
| RD_564558968715_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P1,id:mp-782644} |
| RD_564577239296_000 | computation | Reference Data From Materials Project: {formula:LiBPt3,spaceGroup:P-62m,id:mp-28613} |
| RD_565669478800_000 | computation | Reference Data From Materials Project: {formula:NdNi4B,spaceGroup:P6/mmm,id:mp-8048} |
| RD_565669946252_000 | computation | Reference Data From Materials Project: {formula:Li2B2Se5,spaceGroup:C2/c,id:mp-30100} |
| RD_565691152809_000 | computation | Reference Data From Materials Project: {formula:Li2B4O7,spaceGroup:I4_1cd,id:mp-560463} |
| RD_565831183042_000 | computation | Reference Data From Materials Project: {formula:ScCo3B2,spaceGroup:P6/mmm,id:mp-4938} |
| RD_566194176310_000 | computation | Reference Data From Materials Project: {formula:Th(CrB3)2,spaceGroup:Immm,id:mp-9357} |
| RD_566389173720_000 | computation | Reference Data From Materials Project: {formula:BS4N4F3,spaceGroup:P2_1/c,id:mp-16813} |
| RD_567011270726_000 | computation | Reference Data From Materials Project: {formula:SiBPb,spaceGroup:F-43m,id:mp-631526} |
| RD_567226902647_000 | computation | Reference Data From Materials Project: {formula:ZrCo3B2,spaceGroup:P6/mmm,id:mp-10059} |
| RD_567521753979_000 | computation | Reference Data From Materials Project: {formula:Nd5Co21B4,spaceGroup:P6/mmm,id:mp-505807} |
| RD_567636164648_000 | computation | BHf in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_567901304624_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764503} |
| RD_568080236990_000 | computation | Reference Data From Materials Project: {formula:Tm4(B2O5)3,spaceGroup:R3,id:mp-756194} |
| RD_568285413917_000 | computation | Reference Data From Materials Project: {formula:PrGeBO5,spaceGroup:P3_1,id:mp-559590} |
| RD_568549536731_000 | computation | Reference Data From Materials Project: {formula:Li(BH)5,spaceGroup:P6_422,id:mp-941221} |
| RD_568961520448_000 | computation | Reference Data From Materials Project: {formula:Fe3B7IO13,spaceGroup:R3c,id:mp-566623} |
| RD_569595367042_000 | computation | Reference Data From Materials Project: {formula:BHO2,spaceGroup:Pbnm,id:mp-696403} |
| RD_569663038120_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Cm,id:mp-849498} |
| RD_569712799248_000 | computation | Reference Data From Materials Project: {formula:HfGeB2,spaceGroup:F-43m,id:mp-631549} |
| RD_570101785157_000 | computation | Reference Data From Materials Project: {formula:Li3Bi(BO3)2,spaceGroup:P2_1/c,id:mp-768788} |
| RD_570155004216_000 | computation | Reference Data From Materials Project: {formula:Ca(BO2)2,spaceGroup:Pnaa,id:mp-8056} |
| RD_570172942646_000 | computation | Reference Data From Materials Project: {formula:LiFeBO3,spaceGroup:P2_1/c,id:mp-769683} |
| RD_570392813446_000 | computation | Reference Data From Materials Project: {formula:CoB,spaceGroup:Pmcn,id:mp-20857} |
| RD_571266894663_000 | computation | Reference Data From Materials Project: {formula:Tb(BO2)3,spaceGroup:Pbna,id:mp-559434} |
| RD_571610590129_000 | computation | Reference Data From Materials Project: {formula:CeBRh3,spaceGroup:Pm-3m,id:mp-510376} |
| RD_572003647255_000 | computation | Reference Data From Materials Project: {formula:Li6Mn5Fe(BO3)6,spaceGroup:Pm,id:mp-774303} |
| RD_572194328431_000 | computation | Reference Data From Materials Project: {formula:GaBH6,spaceGroup:C2/c,id:mp-30150} |
| RD_572218020619_000 | computation | Reference Data From Materials Project: {formula:NdBO3,spaceGroup:P-1,id:mp-13514} |
| RD_572383310255_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-850907} |
| RD_572504670304_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_572783637651_000 | computation | Reference Data From Materials Project: {formula:Na3B20,spaceGroup:Cmmm,id:mp-262} |
| RD_573167293621_000 | computation | Reference Data From Materials Project: {formula:Al3(Ni10B3)2,spaceGroup:Fm-3m,id:mp-505472} |
| RD_573369397112_000 | computation | Reference Data From Materials Project: {formula:B9H11,spaceGroup:P2_1/c,id:mp-706937} |
| RD_573374011442_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_573931966037_000 | computation | Reference Data From Materials Project: {formula:Mg2SiB2Ir5,spaceGroup:P4/mbm,id:mp-22250} |
| RD_574032422530_000 | computation | Reference Data From Materials Project: {formula:Na2VBPO7,spaceGroup:P2_1/m,id:mp-770003} |
| RD_574074060231_000 | computation | Reference Data From Materials Project: {formula:ScB12,spaceGroup:Fm-3m,id:mp-8772} |
| RD_574414355427_000 | computation | Reference Data From Materials Project: {formula:NaSiBO4,spaceGroup:P6_3,id:mp-556740} |
| RD_574518218018_000 | computation | Reference Data From Materials Project: {formula:CeBMoO6,spaceGroup:P2_1/c,id:mp-642871} |
| RD_574670925764_000 | computation | Reference Data From Materials Project: {formula:LiCuBO3,spaceGroup:P-6,id:mp-756867} |
| RD_574956151658_000 | computation | Reference Data From Materials Project: {formula:VBO4,spaceGroup:I-4,id:mp-778780} |
| RD_574959490494_000 | computation | Reference Data From Materials Project: {formula:LiCo2(BO3)2,spaceGroup:P1,id:mp-763318} |
| RD_575377436755_000 | computation | Reference Data From Materials Project: {formula:Ni3B7IO13,spaceGroup:F-43c,id:mp-540838} |
| RD_576368049543_000 | computation | Reference Data From Materials Project: {formula:MnB2,spaceGroup:P6/mmm,id:mp-585} |
| RD_576837208276_000 | computation | Reference Data From Materials Project: {formula:Na2MnBPO7,spaceGroup:P2_1/m,id:mp-770025} |
| RD_576845005149_000 | computation | Reference Data From Materials Project: {formula:NiB6(H8O9)2,spaceGroup:P2_1/c,id:mp-743612} |
| RD_577131113592_000 | computation | Reference Data From Materials Project: {formula:Li3Mn(BO3)2,spaceGroup:P2_1/c,id:mp-770910} |
| RD_577164276466_000 | computation | Reference Data From Materials Project: {formula:Ba2(Ni3B2)3,spaceGroup:R-3c,id:mp-29219} |
| RD_577268607125_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-773747} |
| RD_577440208403_000 | computation | Reference Data From Materials Project: {formula:Li3MnFe2(BO3)3,spaceGroup:Pm,id:mp-778723} |
| RD_577569965167_000 | computation | Reference Data From Materials Project: {formula:Na2MgB12(H4O7)4,spaceGroup:P2_1/c,id:mp-743656} |
| RD_577591828243_000 | computation | Reference Data From Materials Project: {formula:DyB2Ru3,spaceGroup:P6/mmm,id:mp-3092} |
| RD_577776956655_000 | computation | Reference Data From Materials Project: {formula:Li3Mn3(BO3)4,spaceGroup:Pc,id:mp-767638} |
| RD_578022249313_000 | computation | Reference Data From Materials Project: {formula:CaLa2B10O19,spaceGroup:C2,id:mp-560622} |
| RD_578302891168_000 | computation | Reference Data From Materials Project: {formula:LaBC,spaceGroup:P2_12_12_1,id:mp-568090} |
| RD_578968153145_000 | computation | Reference Data From Materials Project: {formula:PrB2Rh3,spaceGroup:P6/mmm,id:mp-5369} |
| RD_579070158171_000 | computation | Reference Data From Materials Project: {formula:Pr(CoB)2,spaceGroup:I4/mmm,id:mp-4322} |
| RD_579491000775_000 | computation | Reference Data From Materials Project: {formula:Er(FeB)2,spaceGroup:I4/mmm,id:mp-3190} |
| RD_579666974829_000 | computation | Reference Data From Materials Project: {formula:Li2Sn(BO3)2,spaceGroup:Pc,id:mp-759933} |
| RD_579863687135_000 | computation | BN in AFLOW crystal prototype AB_hR2_160_a_a. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_580073926015_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_580391894015_000 | computation | Reference Data From Materials Project: {formula:Mg3BN3,spaceGroup:P6_3/mmc,id:mp-28955} |
| RD_581146892283_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764854} |
| RD_581205454007_000 | computation | Reference Data From Materials Project: {formula:TaB2,spaceGroup:P6/mmm,id:mp-1108} |
| RD_581883005167_000 | computation | Reference Data From Materials Project: {formula:B5H12NO12,spaceGroup:Cc2e,id:mp-703444} |
| RD_582124086968_000 | computation | Reference Data From Materials Project: {formula:Li2B2S5,spaceGroup:Cmcm,id:mp-29410} |
| RD_582261961007_000 | computation | Reference Data From Materials Project: {formula:CaB2Rh3,spaceGroup:P6/mmm,id:mp-28705} |
| RD_582347495478_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-778926} |
| RD_582832236040_000 | computation | Reference Data From Materials Project: {formula:Li2SnBPO7,spaceGroup:P2_1/m,id:mp-771707} |
| RD_582922011089_000 | computation | Reference Data From Materials Project: {formula:CsBC3NOF9,spaceGroup:P2_1/c,id:mp-555532} |
| RD_583334039679_000 | computation | Reference Data From Materials Project: {formula:LiMnBO3,spaceGroup:P-6,id:mp-19131} |
| RD_583509220777_000 | computation | Reference Data From Materials Project: {formula:NiBTe,spaceGroup:F-43m,id:mp-631540} |
| RD_583946656973_000 | computation | Reference Data From Materials Project: {formula:TlBCl2,spaceGroup:F-43m,id:mp-631519} |
| RD_584338577421_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-850242} |
| RD_584961631279_000 | computation | Reference Data From Materials Project: {formula:CsB5O8,spaceGroup:Pbca,id:mp-581194} |
| RD_585030705232_000 | computation | Reference Data From Materials Project: {formula:Co2B2O5,spaceGroup:P-1,id:mp-510055} |
| RD_585495822583_000 | computation | Reference Data From Materials Project: {formula:Sc3BPb,spaceGroup:Pm-3m,id:mp-10133} |
| RD_585679016913_000 | computation | Reference Data From Materials Project: {formula:CsB6H8O7,spaceGroup:P2_1/c,id:mp-707883} |
| RD_585855699179_000 | computation | Reference Data From Materials Project: {formula:SmFeB4,spaceGroup:Pmcb,id:mp-20416} |
| RD_585902879381_000 | computation | Reference Data From Materials Project: {formula:Ba2B2O5,spaceGroup:P2_1/c,id:mp-771174} |
| RD_585969352572_000 | computation | Reference Data From Materials Project: {formula:NdBPt3,spaceGroup:P4mm,id:mp-11597} |
| RD_586453159649_000 | computation | Reference Data From Materials Project: {formula:DyB4Mo,spaceGroup:Pbam,id:mp-864993} |
| RD_586561764444_000 | computation | Reference Data From Materials Project: {formula:CaB5H3O10,spaceGroup:P2_1/c,id:mp-757666} |
| RD_586860789060_000 | computation | Reference Data From Materials Project: {formula:Fe23B6,spaceGroup:Fm-3m,id:mp-542758} |
| RD_587502406660_000 | computation | Reference Data From Materials Project: {formula:Li6Bi2B4SO16,spaceGroup:Fd3,id:mp-779482} |
| RD_588182756052_000 | computation | Reference Data From Materials Project: {formula:BS2N2OF7,spaceGroup:P2_1/m,id:mp-556762} |
| RD_588390291866_000 | computation | Reference Data From Materials Project: {formula:Sc3SnB,spaceGroup:Pm-3m,id:mp-10139} |
| RD_588542775474_000 | computation | Reference Data From Materials Project: {formula:CaAlB3O7,spaceGroup:Cmme,id:mp-556532} |
| RD_589056282586_000 | computation | Reference Data From Materials Project: {formula:Na6Co2B4SO16,spaceGroup:Fd3,id:mp-851008} |
| RD_589283505550_000 | computation | Reference Data From Materials Project: {formula:KNa2Si12(BO10)3,spaceGroup:P6/mcc,id:mp-15541} |
| RD_590872148082_000 | computation | Reference Data From Materials Project: {formula:B2IrCl,spaceGroup:Fm-3m,id:mp-631586} |
| RD_590897834975_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:Pm,id:mp-849609} |
| RD_591294708756_000 | computation | Reference Data From Materials Project: {formula:UB2,spaceGroup:P6/mmm,id:mp-1514} |
| RD_591721515077_000 | computation | Reference Data From Materials Project: {formula:K2Ga2B2O7,spaceGroup:P321,id:mp-561525} |
| RD_591740678149_000 | computation | Reference Data From Materials Project: {formula:Ca3Er3Ge2BO13,spaceGroup:Pnn2,id:mp-41109} |
| RD_592023885406_000 | computation | Reference Data From Materials Project: {formula:La15B14C19,spaceGroup:P2_1/c,id:mp-679949} |
| RD_592181465300_000 | computation | Reference Data From Materials Project: {formula:LiNiBO3,spaceGroup:P-6,id:mp-778543} |
| RD_592243267768_000 | computation | Reference Data From Materials Project: {formula:BaB6,spaceGroup:Pm-3m,id:mp-954} |
| RD_592338228394_000 | computation | Reference Data From Materials Project: {formula:Li2AlBO4,spaceGroup:P2_1/c,id:mp-556655} |
| RD_592570489063_000 | computation | Reference Data From Materials Project: {formula:Na6Sn2B4SO16,spaceGroup:Fd3,id:mp-780239} |
| RD_592648294545_000 | computation | Reference Data From Materials Project: {formula:YbBRh3,spaceGroup:Pm-3m,id:mp-3686} |
| RD_592794633983_000 | computation | Reference Data From Materials Project: {formula:Ba5B4O11,spaceGroup:P2_12_12_1,id:mp-3974} |
| RD_592921902492_000 | computation | Reference Data From Materials Project: {formula:Er3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-21951} |