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_049143874456_000 | computation | Reference Data From Materials Project: {formula:SmB2,spaceGroup:P6/mmm,id:mp-10141} |
| RD_049153837937_000 | computation | Reference Data From Materials Project: {formula:Ba2B2O5,spaceGroup:P2_1/c,id:mp-771158} |
| RD_049166879706_000 | computation | Reference Data From Materials Project: {formula:Dy2Cu(BO2)8,spaceGroup:P2_1/c,id:mp-557935} |
| RD_049344118092_000 | computation | Reference Data From Materials Project: {formula:YB7Mo3,spaceGroup:Pmnb,id:mp-504874} |
| RD_049830805295_000 | computation | B in AFLOW crystal prototype A_oP28_58_3g2h. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_050009064359_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-850743} |
| RD_050175351161_000 | computation | Reference Data From Materials Project: {formula:Li3BN2,spaceGroup:I4_1/amd,id:mp-5914} |
| RD_050233682477_000 | computation | Reference Data From Materials Project: {formula:B3H60C16(NO)12,spaceGroup:P-43m,id:mp-677715} |
| RD_050365775508_000 | computation | Reference Data From Materials Project: {formula:Gd4B3C4,spaceGroup:P-1,id:mp-29821} |
| RD_050540387931_000 | computation | Reference Data From Materials Project: {formula:U2(Co7B2)3,spaceGroup:Fm-3m,id:mp-541853} |
| RD_050548032015_000 | computation | Reference Data From Materials Project: {formula:Yb3Ni7B2,spaceGroup:P6_3/mmc,id:mp-570788} |
| RD_050628659272_000 | computation | Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:P2_1/c,id:mp-768795} |
| RD_050750468656_000 | computation | Reference Data From Materials Project: {formula:TmBO3,spaceGroup:C2cm,id:mp-760484} |
| RD_050976941216_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:Pc,id:mp-779091} |
| RD_051466650613_000 | computation | Reference Data From Materials Project: {formula:NdBPd3,spaceGroup:Pm-3m,id:mp-10120} |
| RD_051614235277_000 | computation | Reference Data From Materials Project: {formula:NaUBO5,spaceGroup:Pcmb,id:mp-557744} |
| RD_051624843918_000 | computation | Reference Data From Materials Project: {formula:Li7Mn8(BO3)8,spaceGroup:P1,id:mp-778694} |
| RD_051765593978_000 | computation | Reference Data From Materials Project: {formula:AlInB,spaceGroup:F-43m,id:mp-631543} |
| RD_053525414773_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-781497} |
| RD_053693799126_000 | computation | Reference Data From Materials Project: {formula:RbB6H8O7,spaceGroup:C2/c,id:mp-707349} |
| RD_053863747019_000 | computation | Reference Data From Materials Project: {formula:Na3VB6O13,spaceGroup:P2_12_12_1,id:mp-566438} |
| RD_053917732630_000 | computation | Reference Data From Materials Project: {formula:Li3Fe(BO3)2,spaceGroup:P-1,id:mp-779307} |
| RD_054486748850_000 | computation | Reference Data From Materials Project: {formula:Li2CoBO4,spaceGroup:P2_1/c,id:mp-771412} |
| RD_054591573309_000 | computation | Reference Data From Materials Project: {formula:LiVB2O5,spaceGroup:P2_1/c,id:mp-770325} |
| RD_054914017508_000 | computation | Reference Data From Materials Project: {formula:Li4Sn(BO3)2,spaceGroup:Pnnm,id:mp-756045} |
| RD_055214555653_000 | computation | Reference Data From Materials Project: {formula:Y(BO2)3,spaceGroup:C2/c,id:mp-754903} |
| RD_055557364579_000 | computation | Reference Data From Materials Project: {formula:Eu3BWO9,spaceGroup:P6_3,id:mp-566088} |
| RD_055610056342_000 | computation | Reference Data From Materials Project: {formula:Lu2CoB6,spaceGroup:Pmcb,id:mp-505543} |
| RD_055975526245_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-779175} |
| RD_056086593905_000 | computation | Reference Data From Materials Project: {formula:Co3(BO3)2,spaceGroup:Pnnm,id:mp-24876} |
| RD_056112534665_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-777612} |
| RD_056142978837_000 | computation | Reference Data From Materials Project: {formula:PrCo4B,spaceGroup:P6/mmm,id:mp-11610} |
| RD_056200360977_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_056603131314_000 | computation | Reference Data From Materials Project: {formula:Li26(B24O)3,spaceGroup:P1,id:mp-685675} |
| RD_056641906241_000 | computation | Reference Data From Materials Project: {formula:Cs3NaLi2(BO3)2,spaceGroup:P-1,id:mp-607931} |
| RD_056865455582_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764660} |
| RD_056892196651_000 | computation | Reference Data From Materials Project: {formula:K5B19O31,spaceGroup:C2/c,id:mp-554996} |
| RD_057231749451_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_057294674960_000 | computation | Reference Data From Materials Project: {formula:KB6,spaceGroup:Pm-3m,id:mp-1076} |
| RD_057382292199_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-775182} |
| RD_057538968788_000 | computation | Reference Data From Materials Project: {formula:Tm4(B2O5)3,spaceGroup:C2/c,id:mp-772919} |
| RD_057571289087_000 | computation | Reference Data From Materials Project: {formula:Na6B4Sb2SO16,spaceGroup:Fd3,id:mp-780353} |
| RD_057750383903_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-764703} |
| RD_057975325531_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-766062} |
| RD_058969529048_000 | computation | Reference Data From Materials Project: {formula:PrSc3(BO3)4,spaceGroup:C2/c,id:mp-18677} |
| RD_059088064973_000 | computation | Reference Data From Materials Project: {formula:Na4Al3Si3B(HO3)4,spaceGroup:P-43n,id:mp-694981} |
| RD_059144537821_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-780197} |
| RD_059216121111_000 | computation | Reference Data From Materials Project: {formula:LiMnB2O5,spaceGroup:C2/c,id:mp-773205} |
| RD_059217751161_000 | computation | Reference Data From Materials Project: {formula:FeB,spaceGroup:Pmcn,id:mp-20787} |
| RD_059718391918_000 | computation | Reference Data From Materials Project: {formula:Nd(BIr)4,spaceGroup:P4_2/n,id:mp-9584} |
| RD_060128762592_000 | computation | Reference Data From Materials Project: {formula:NdBC,spaceGroup:P2_12_12_1,id:mp-568966} |
| RD_060813703361_000 | computation | Reference Data From Materials Project: {formula:LiCoBO3,spaceGroup:P-6,id:mp-769824} |
| RD_061470680558_000 | computation | Reference Data From Materials Project: {formula:Bi3B5O12,spaceGroup:Pnma,id:mp-23549} |
| RD_061603025133_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764651} |
| RD_061679650823_000 | computation | Reference Data From Materials Project: {formula:K(BH)6,spaceGroup:Fm3,id:mp-24239} |
| RD_061940160921_000 | computation | Reference Data From Materials Project: {formula:Pr8(BCl)7,spaceGroup:P-1,id:mp-568295} |
| RD_062100213147_000 | computation | Reference Data From Materials Project: {formula:Cr3B7BrO13,spaceGroup:F-43c,id:mp-25743} |
| RD_062210372008_000 | computation | Reference Data From Materials Project: {formula:AgB2,spaceGroup:P6/mmm,id:mp-12062} |
| RD_062366351364_000 | computation | Reference Data From Materials Project: {formula:CaB3H5O8,spaceGroup:P2_1,id:mp-560899} |
| RD_062605123634_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_062881993412_000 | computation | Reference Data From Materials Project: {formula:UReB3,spaceGroup:P6_3/mmc,id:mp-28607} |
| RD_062982679479_000 | computation | Reference Data From Materials Project: {formula:Sr2B5ClO9,spaceGroup:P2nn,id:mp-557330} |
| RD_063348198386_000 | computation | Reference Data From Materials Project: {formula:Gd2B5,spaceGroup:P2_1/c,id:mp-28366} |
| RD_063446957626_000 | computation | Reference Data From Materials Project: {formula:KMg2B12H19O30,spaceGroup:C2/c,id:mp-707790} |
| RD_063588940772_000 | computation | Reference Data From Materials Project: {formula:CaB12(H3O2)4,spaceGroup:P2_12_12_1,id:mp-699475} |
| RD_063728025607_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P-1,id:mp-773762} |
| RD_063822563608_000 | experiment | Experimental data collected from reference material at the University of Minnesota. |
| RD_063869509383_000 | computation | Reference Data From Materials Project: {formula:TbBPd3,spaceGroup:Pm-3m,id:mp-3022} |
| RD_063989956412_000 | computation | Reference Data From Materials Project: {formula:CeBRh3,spaceGroup:Pm-3m,id:mp-510376} |
| RD_064661161343_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764938} |
| RD_065341123156_000 | computation | Reference Data From Materials Project: {formula:LiB2SbO5,spaceGroup:C2/c,id:mp-770808} |
| RD_066459807964_000 | computation | Reference Data From Materials Project: {formula:Lu3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-16093} |
| RD_066917439097_000 | computation | Reference Data From Materials Project: {formula:CeB6,spaceGroup:Pm-3m,id:mp-21343} |
| RD_066921510653_000 | computation | Reference Data From Materials Project: {formula:MgBHO3,spaceGroup:P2_1/c,id:mp-23748} |
| RD_067065109472_000 | computation | Reference Data From Materials Project: {formula:B2TeO6,spaceGroup:P2_1/c,id:mp-779332} |
| RD_067225906126_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764709} |
| RD_067386654426_000 | computation | Reference Data From Materials Project: {formula:LiGeBO4,spaceGroup:I-4,id:mp-8873} |
| RD_067718525214_000 | computation | Reference Data From Materials Project: {formula:Zn2B2PbO6,spaceGroup:Pbnb,id:mp-560471} |
| RD_068365765443_000 | computation | Reference Data From Materials Project: {formula:ErB2,spaceGroup:P6/mmm,id:mp-1774} |
| RD_069113437661_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-781598} |
| RD_069263995178_000 | computation | Reference Data From Materials Project: {formula:B2H3,spaceGroup:Pbca,id:mp-27876} |
| RD_069860056991_000 | computation | Reference Data From Materials Project: {formula:YBRh3,spaceGroup:Pm-3m,id:mp-29725} |
| RD_070352109806_000 | computation | Reference Data From Materials Project: {formula:Sr3BPO3,spaceGroup:P6_3/mmc,id:mp-9702} |
| RD_070505221017_000 | computation | Reference Data From Materials Project: {formula:Na3Cr(BO3)2,spaceGroup:P2_1/c,id:mp-773526} |
| RD_070858259184_000 | computation | BZr in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_070932920413_000 | computation | Reference Data From Materials Project: {formula:TlB(CN)4,spaceGroup:I4_1/a,id:mp-13592} |
| RD_070981668447_000 | computation | Reference Data From Materials Project: {formula:LiBC,spaceGroup:P6_3/mmc,id:mp-9244} |
| RD_071502305443_000 | computation | Reference Data From Materials Project: {formula:Ba2Sc2B4O11,spaceGroup:C2/c,id:mp-558688} |
| RD_071572154808_000 | computation | Reference Data From Materials Project: {formula:Nd3Co11B4,spaceGroup:P6/mmm,id:mp-5568} |
| RD_072014705461_000 | computation | Reference Data From Materials Project: {formula:Mn3B7BrO13,spaceGroup:Pbc2_1,id:mp-579836} |
| RD_072190338751_000 | computation | Reference Data From Materials Project: {formula:SrBiB,spaceGroup:F-43m,id:mp-631552} |
| RD_072479211499_000 | computation | Reference Data From Materials Project: {formula:Na2Co2(B4O7)3,spaceGroup:C2/c,id:mp-704577} |
| RD_072632409620_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764545} |
| RD_072684879332_000 | computation | Reference Data From Materials Project: {formula:PuB6,spaceGroup:Pm-3m,id:mp-505534} |
| RD_072762970307_000 | computation | Reference Data From Materials Project: {formula:Li3VSiBO7,spaceGroup:P2_1/m,id:mp-771551} |
| RD_073032382970_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-781623} |
| RD_073317527448_000 | computation | Reference Data From Materials Project: {formula:Sc3BPb,spaceGroup:Pm-3m,id:mp-10133} |
| RD_073363449574_000 | computation | Reference Data From Materials Project: {formula:CdB4O7,spaceGroup:Pbca,id:mp-13603} |
| RD_074442001349_000 | computation | Reference Data From Materials Project: {formula:GdBO3,spaceGroup:P6_3/mmc,id:mp-561949} |
| RD_074559859444_000 | computation | Reference Data From Materials Project: {formula:YbB4Rh,spaceGroup:Pmcb,id:mp-13344} |
| RD_074819931493_000 | computation | Reference Data From Materials Project: {formula:DyNi2B2C,spaceGroup:I4/mmm,id:mp-6223} |
| RD_074872078621_000 | computation | Reference Data From Materials Project: {formula:BaB2(HO)8,spaceGroup:P2_1/c,id:mp-720736} |
| RD_075238810402_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-779202} |
| RD_075510696618_000 | computation | Reference Data From Materials Project: {formula:HfB2,spaceGroup:P6/mmm,id:mp-1994} |
| RD_076272637658_000 | computation | Reference Data From Materials Project: {formula:ZrB2O5,spaceGroup:P2_1/c,id:mp-559571} |
| RD_077119166539_000 | computation | Reference Data From Materials Project: {formula:LiMnB2O5,spaceGroup:P2_1/c,id:mp-771276} |
| RD_077210930815_000 | computation | Reference Data From Materials Project: {formula:K2B5H5O11,spaceGroup:Pna2_1,id:mp-707775} |
| RD_077535286573_000 | computation | Reference Data From Materials Project: {formula:BP,spaceGroup:F-43m,id:mp-1479} |
| RD_077554949404_000 | computation | Reference Data From Materials Project: {formula:K2B4H8O11,spaceGroup:P2_12_12_1,id:mp-721901} |
| RD_077999900775_000 | computation | Reference Data From Materials Project: {formula:BW2,spaceGroup:I4/mcm,id:mp-1113} |
| RD_078920101941_000 | computation | Reference Data From Materials Project: {formula:Ce2Co5B2,spaceGroup:P6_3/mmc,id:mp-574273} |
| RD_079170554514_000 | computation | Reference Data From Materials Project: {formula:V3B4,spaceGroup:Immm,id:mp-569270} |
| RD_079190607103_000 | computation | Reference Data From Materials Project: {formula:Na4B4Sb2SO16,spaceGroup:Fddd,id:mp-769713} |
| RD_079207383322_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-780327} |
| RD_079337619069_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-850958} |
| RD_079536143983_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:Pc,id:mp-849690} |
| RD_079844525839_000 | computation | Reference Data From Materials Project: {formula:Y3Ni4B4C3,spaceGroup:I4/mmm,id:mp-567692} |
| RD_080151953618_000 | computation | Reference Data From Materials Project: {formula:SrB6(H4O7)2,spaceGroup:P2_1/c,id:mp-721618} |
| RD_080472511707_000 | computation | Reference Data From Materials Project: {formula:RbB3O5,spaceGroup:P2_12_12_1,id:mp-29756} |
| RD_080526953099_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-850018} |
| RD_081212823986_000 | computation | Reference Data From Materials Project: {formula:LiFe8(BO3)8,spaceGroup:P1,id:mp-775187} |
| RD_081682901298_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Cm,id:mp-849675} |
| RD_082437783681_000 | computation | Reference Data From Materials Project: {formula:Ho2B4O9,spaceGroup:C2/c,id:mp-647283} |
| RD_082638980048_000 | computation | Reference Data From Materials Project: {formula:B5H12C2NO10,spaceGroup:C2/c,id:mp-723094} |
| RD_082712284698_000 | computation | Reference Data From Materials Project: {formula:BCl2,spaceGroup:Pbca,id:mp-23316} |
| RD_082770880173_000 | computation | Reference Data From Materials Project: {formula:VB2,spaceGroup:P6/mmm,id:mp-1491} |
| RD_082916000008_000 | computation | Reference Data From Materials Project: {formula:Ca4MgB4H6(CO9)2,spaceGroup:C2/m,id:mp-697563} |
| RD_083107377791_000 | computation | Reference Data From Materials Project: {formula:CuBS2,spaceGroup:I-42d,id:mp-12954} |
| RD_083195925368_000 | computation | Reference Data From Materials Project: {formula:Rb2Ga2B2O7,spaceGroup:P2_1/c,id:mp-560010} |
| RD_083543979225_000 | computation | Reference Data From Materials Project: {formula:K2MgB12(H2O3)10,spaceGroup:P-1,id:mp-541566} |
| RD_083831289994_000 | computation | BH in AFLOW crystal prototype A5B9_tI28_107_ad_acd. 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_083941312407_000 | computation | Reference Data From Materials Project: {formula:Tm(FeB)2,spaceGroup:I4/mmm,id:mp-12076} |
| RD_084617926736_000 | computation | Reference Data From Materials Project: {formula:Mn3B7IO13,spaceGroup:F-43c,id:mp-565322} |
| RD_085253225603_000 | computation | Reference Data From Materials Project: {formula:B20H26O,spaceGroup:C2/c,id:mp-28092} |
| RD_085715264910_000 | computation | Reference Data From Materials Project: {formula:In2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-21551} |
| RD_085807720638_000 | computation | Reference Data From Materials Project: {formula:PuB,spaceGroup:Fm-3m,id:mp-2765} |
| RD_085858652119_000 | computation | Reference Data From Materials Project: {formula:SmB2Rh3,spaceGroup:P6/mmm,id:mp-2947} |
| RD_085920011912_000 | computation | Reference Data From Materials Project: {formula:B2W,spaceGroup:P6/mmm,id:mp-10144} |
| RD_086200600674_000 | computation | Reference Data From Materials Project: {formula:Cs(BH)3,spaceGroup:Fm-3m,id:mp-23951} |
| RD_086395891154_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P1,id:mp-781594} |
| RD_086412030659_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-780813} |
| RD_086551601174_000 | computation | Reference Data From Materials Project: {formula:Li2BPd3,spaceGroup:P4_332,id:mp-20657} |
| RD_086553908582_000 | computation | Reference Data From Materials Project: {formula:GdCo4B,spaceGroup:P6/mmm,id:mp-13268} |
| RD_086564757495_000 | computation | Reference Data From Materials Project: {formula:La3BCCl3,spaceGroup:P2_1/m,id:mp-571135} |
| RD_086987633412_000 | computation | Reference Data From Materials Project: {formula:ZrB12,spaceGroup:Fm-3m,id:mp-1084} |
| RD_087230147712_000 | computation | Reference Data From Materials Project: {formula:Ta3B2,spaceGroup:P4/mbm,id:mp-13415} |
| RD_087350364706_000 | computation | Reference Data From Materials Project: {formula:Li6Ti(BO3)3,spaceGroup:P2_1/c,id:mp-769458} |
| RD_087419610438_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:Cm,id:mp-1599} |
| RD_087549804954_000 | computation | Reference Data From Materials Project: {formula:Zn(BH4)2,spaceGroup:Pmc2_1,id:mp-604315} |
| RD_087580382050_000 | computation | Reference Data From Materials Project: {formula:Y16B4C8I19,spaceGroup:P-1,id:mp-579614} |
| RD_087698359648_000 | computation | Reference Data From Materials Project: {formula:YbBRh3,spaceGroup:Pm-3m,id:mp-3686} |
| RD_088116763570_000 | computation | Reference Data From Materials Project: {formula:Li6MnFe5(BO3)6,spaceGroup:Pm,id:mp-779784} |
| RD_088136162478_000 | computation | Reference Data From Materials Project: {formula:K2B6H2O11,spaceGroup:P2_1/c,id:mp-558951} |
| RD_088188581580_000 | computation | Reference Data From Materials Project: {formula:LiVB2O5,spaceGroup:C2/c,id:mp-773200} |
| RD_088404743876_000 | computation | Reference Data From Materials Project: {formula:Na3Zn(BO2)5,spaceGroup:P2_1/c,id:mp-560158} |
| RD_088526129831_000 | computation | Reference Data From Materials Project: {formula:BRh,spaceGroup:P6_3/mmc,id:mp-567164} |
| RD_088719743370_000 | computation | Reference Data From Materials Project: {formula:Gd(Co2B)6,spaceGroup:R-3m,id:mp-645286} |
| RD_088755437770_000 | computation | Reference Data From Materials Project: {formula:Ni(BO2)2,spaceGroup:C2/c,id:mp-565689} |
| RD_088817539192_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764720} |
| RD_089103741037_000 | computation | Reference Data From Materials Project: {formula:LiMnB2O5,spaceGroup:P2_1/c,id:mp-771229} |
| RD_089369250736_000 | computation | Reference Data From Materials Project: {formula:Zn3(BO3)2,spaceGroup:Cc,id:mp-559949} |
| RD_089407908432_000 | computation | Reference Data From Materials Project: {formula:LaB2Pt2C,spaceGroup:I4/mmm,id:mp-9219} |
| RD_089548365824_000 | computation | Reference Data From Materials Project: {formula:CaZrAl9BO18,spaceGroup:P6_3/m,id:mp-559642} |
| RD_089788880802_000 | computation | Reference Data From Materials Project: {formula:RbLi2V2(BO3)3,spaceGroup:P2/c,id:mp-772424} |
| RD_089885950888_000 | computation | Reference Data From Materials Project: {formula:Li5Mn8(BO3)8,spaceGroup:P1,id:mp-778857} |
| RD_089907751551_000 | computation | Reference Data From Materials Project: {formula:Dy(CoB)2,spaceGroup:I4/mmm,id:mp-5135} |
| RD_090035791097_000 | computation | Reference Data From Materials Project: {formula:AgB(CN)4,spaceGroup:P-43m,id:mp-10413} |
| RD_090534310511_000 | computation | Reference Data From Materials Project: {formula:AgBF4,spaceGroup:Pmcn,id:mp-12021} |
| RD_090556720264_000 | computation | Reference Data From Materials Project: {formula:Li3VB4O9,spaceGroup:P2_1/m,id:mp-770148} |
| RD_091346494831_000 | computation | Reference Data From Materials Project: {formula:KB6,spaceGroup:Pm-3m,id:mp-1076} |
| RD_091608133174_000 | computation | Reference Data From Materials Project: {formula:AlBPbO4,spaceGroup:Pcnb,id:mp-558137} |
| RD_091918047374_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-853209} |
| RD_091956128664_000 | computation | Reference Data From Materials Project: {formula:LaB2ClO4,spaceGroup:P-1,id:mp-559417} |
| RD_091962628349_000 | computation | Reference Data From Materials Project: {formula:Li8MnFe7(BO3)8,spaceGroup:P1,id:mp-780940} |
| RD_092053575904_000 | computation | Reference Data From Materials Project: {formula:BC2N,spaceGroup:Pmm2,id:mp-629458} |
| RD_092198598127_000 | computation | Reference Data From Materials Project: {formula:Na3B6PO13,spaceGroup:Pbnm,id:mp-556801} |
| RD_092767111532_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:Pc,id:mp-764559} |
| RD_092820178389_000 | computation | Reference Data From Materials Project: {formula:TmCo3B2,spaceGroup:P6/mmm,id:mp-5714} |
| RD_093132063870_000 | computation | Reference Data From Materials Project: {formula:KBS4(ClO3)4,spaceGroup:Cc,id:mp-560423} |
| RD_093271625254_000 | computation | Reference Data From Materials Project: {formula:HoNi4B,spaceGroup:P6/mmm,id:mp-10398} |
| RD_093316052163_000 | computation | Reference Data From Materials Project: {formula:Li3Mn(BO3)2,spaceGroup:P2_1/c,id:mp-771296} |
| RD_093393781994_000 | computation | Reference Data From Materials Project: {formula:Rb4(BS)9,spaceGroup:P-1,id:mp-31060} |
| RD_093858544275_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-775252} |
| RD_094296397288_000 | computation | Reference Data From Materials Project: {formula:CsZnB(PO4)2,spaceGroup:P-1,id:mp-560244} |
| RD_094569336226_000 | computation | Reference Data From Materials Project: {formula:CoReB,spaceGroup:Pmnb,id:mp-21464} |
| RD_094964688381_000 | computation | Reference Data From Materials Project: {formula:Li2Bi2B2O7,spaceGroup:P2_1/c,id:mp-768765} |
| RD_095041795440_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-774377} |
| RD_095600486767_000 | computation | Reference Data From Materials Project: {formula:VBP2H5NO9,spaceGroup:P2_1/c,id:mp-25798} |
| RD_096378507808_000 | computation | Reference Data From Materials Project: {formula:Bi3BO6,spaceGroup:Pnma,id:mp-769033} |
| RD_096492506721_000 | computation | Reference Data From Materials Project: {formula:ZnBSe2,spaceGroup:F-43m,id:mp-631528} |
| RD_096745235058_000 | computation | Reference Data From Materials Project: {formula:CeB2Rh3,spaceGroup:P6/mmm,id:mp-5757} |
| RD_096806390223_000 | computation | Reference Data From Materials Project: {formula:Sn4BRh6,spaceGroup:P6_3/mmc,id:mp-30061} |
| RD_097198463481_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Cm,id:mp-779179} |
| RD_097301266860_000 | computation | Reference Data From Materials Project: {formula:TmNi4B,spaceGroup:P6/mmm,id:mp-10129} |
| RD_097546696671_000 | computation | Reference Data From Materials Project: {formula:Na4B2O5,spaceGroup:C2/c,id:mp-27564} |
| RD_097707558424_000 | computation | Reference Data From Materials Project: {formula:Nb3Co4B7,spaceGroup:Ccmm,id:mp-4212} |
| RD_098209661889_000 | computation | Reference Data From Materials Project: {formula:LiBi2BO5,spaceGroup:Pnma,id:mp-768636} |
| RD_098620605813_000 | computation | Reference Data From Materials Project: {formula:Fe2B,spaceGroup:I4/mcm,id:mp-1915} |
| RD_098694963469_000 | computation | Reference Data From Materials Project: {formula:CeBPt3,spaceGroup:P4mm,id:mp-22435} |
| RD_098885438948_000 | computation | Reference Data From Materials Project: {formula:Li2VBO4,spaceGroup:Pc,id:mp-770333} |
| RD_099024808315_000 | computation | Reference Data From Materials Project: {formula:Li5Fe6(BO3)6,spaceGroup:Cc,id:mp-769427} |
| RD_099027614893_000 | computation | Reference Data From Materials Project: {formula:Tm3B5O12,spaceGroup:Pncm,id:mp-558534} |
| RD_099154463156_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:F-43m,id:mp-1639} |
| RD_099214674325_000 | computation | Reference Data From Materials Project: {formula:TlBS3,spaceGroup:P2_1/c,id:mp-28809} |
| RD_099320524882_000 | computation | Reference Data From Materials Project: {formula:Ag2BBr,spaceGroup:Fm-3m,id:mp-631581} |
| RD_099505869883_000 | computation | Reference Data From Materials Project: {formula:Zn3GaB6PO12,spaceGroup:R3m,id:mp-39215} |
| RD_100312112009_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764493} |
| RD_100899828087_000 | computation | Reference Data From Materials Project: {formula:Ba4Na(BN2)3,spaceGroup:Im-3m,id:mp-9705} |
| RD_101446114055_000 | computation | Reference Data From Materials Project: {formula:Cu(BO2)2,spaceGroup:I-42d,id:mp-4870} |
| RD_101792578636_000 | computation | Reference Data From Materials Project: {formula:LiCrB3(HO3)3,spaceGroup:Pbcn,id:mp-779835} |
| RD_101911317339_000 | computation | Reference Data From Materials Project: {formula:CuB4O7,spaceGroup:Cmcm,id:mp-555093} |
| RD_102057743581_000 | computation | Reference Data From Materials Project: {formula:Tl(BH)6,spaceGroup:Fm3,id:mp-23691} |
| RD_102157539871_000 | computation | Reference Data From Materials Project: {formula:KVBP2HO9,spaceGroup:P-1,id:mp-25623} |
| RD_102469642421_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:Pc,id:mp-764505} |
| RD_102788195136_000 | computation | Reference Data From Materials Project: {formula:YB6,spaceGroup:Pm-3m,id:mp-2203} |
| RD_103357459135_000 | computation | Reference Data From Materials Project: {formula:YbBa2B2ClO6,spaceGroup:P2_1/m,id:mp-556696} |
| RD_103418866513_000 | computation | Reference Data From Materials Project: {formula:SrB8O13,spaceGroup:P2_1/c,id:mp-684018} |
| RD_103451153551_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-850243} |
| RD_103776972218_000 | computation | Reference Data From Materials Project: {formula:Na2B2Se7,spaceGroup:C2/c,id:mp-5004} |
| RD_104069787125_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-780500} |
| RD_104199713666_000 | computation | Reference Data From Materials Project: {formula:Co21(B3Sb)2,spaceGroup:Fm-3m,id:mp-505544} |
| RD_104310216288_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-777425} |
| RD_104359063062_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_104832242593_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-851280} |
| RD_104871107900_000 | computation | Reference Data From Materials Project: {formula:BaNaBO3,spaceGroup:C2/m,id:mp-6660} |
| RD_104931464323_000 | computation | Reference Data From Materials Project: {formula:ScB2,spaceGroup:Fd-3m,id:mp-568384} |
| RD_105016858117_000 | computation | Reference Data From Materials Project: {formula:BaY6Si3B6(O12F)2,spaceGroup:P3m1,id:mp-554918} |
| RD_105406764700_000 | computation | Reference Data From Materials Project: {formula:Li2Mn(BO3)2,spaceGroup:P2_1/c,id:mp-779312} |
| RD_106487872894_000 | computation | Reference Data From Materials Project: {formula:Sc3BPb,spaceGroup:Pm-3m,id:mp-10133} |
| RD_106600787351_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-850028} |
| RD_106790314218_000 | computation | Reference Data From Materials Project: {formula:KGe2BO6,spaceGroup:P2_12_12_1,id:mp-556463} |
| RD_106893776396_000 | computation | Reference Data From Materials Project: {formula:HoAlB14,spaceGroup:Imma,id:mp-569726} |
| RD_106918801323_000 | computation | Reference Data From Materials Project: {formula:B5H9N,spaceGroup:Pcmn,id:mp-27893} |
| RD_107039625360_000 | computation | Reference Data From Materials Project: {formula:Na3SiBSbO7,spaceGroup:P2_1/m,id:mp-770708} |
| RD_107237874046_000 | computation | Reference Data From Materials Project: {formula:Li3FeSiBO7,spaceGroup:P2_1/m,id:mp-771526} |
| RD_107270714725_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-850268} |
| RD_107374423597_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:Cc,id:mp-763194} |
| RD_107884057700_000 | computation | Reference Data From Materials Project: {formula:La2B3Br,spaceGroup:P-6m2,id:mp-568985} |
| RD_108027068000_000 | computation | Reference Data From Materials Project: {formula:EuBPd3,spaceGroup:Pm-3m,id:mp-20040} |
| RD_108090220893_000 | computation | Reference Data From Materials Project: {formula:ZrBTe,spaceGroup:F-43m,id:mp-631518} |
| RD_108758009703_000 | computation | Reference Data From Materials Project: {formula:LiY6B3O14,spaceGroup:P2_1/c,id:mp-555489} |
| RD_108874557195_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764550} |
| RD_108875790032_000 | computation | Reference Data From Materials Project: {formula:CeB2Ir2C,spaceGroup:I4/mmm,id:mp-10964} |
| RD_109286774263_000 | computation | Reference Data From Materials Project: {formula:Li3VBPO7,spaceGroup:P2_1/m,id:mp-770014} |
| RD_109406014289_000 | computation | Reference Data From Materials Project: {formula:Li3CoBO4,spaceGroup:I4_1/a,id:mp-770229} |
| RD_109681012797_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_110293023841_000 | computation | Reference Data From Materials Project: {formula:BAsO4,spaceGroup:I-4,id:mp-3277} |
| RD_110385218191_000 | computation | Reference Data From Materials Project: {formula:HfNi5(BO5)2,spaceGroup:Pmnb,id:mp-565674} |
| RD_110926226741_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_110950898150_000 | computation | Reference Data From Materials Project: {formula:Ho2(Ni2B)5,spaceGroup:Pbca,id:mp-568440} |
| RD_111620470725_000 | computation | Reference Data From Materials Project: {formula:Gd3Co11B4,spaceGroup:P6/mmm,id:mp-605854} |
| RD_111654915348_000 | computation | Reference Data From Materials Project: {formula:Li7B18O,spaceGroup:Pm,id:mp-675734} |
| RD_112036244547_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-779067} |
| RD_112224293292_000 | computation | Reference Data From Materials Project: {formula:Lu4CoB13,spaceGroup:P4/mnc,id:mp-20518} |
| RD_112395949648_000 | computation | Reference Data From Materials Project: {formula:DyBRh3,spaceGroup:Pm-3m,id:mp-3183} |
| RD_112764979621_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-781682} |
| RD_112839897662_000 | computation | Reference Data From Materials Project: {formula:AlCr3B4,spaceGroup:Pmmm,id:mp-637575} |
| RD_113148731159_000 | computation | Reference Data From Materials Project: {formula:KLiB4O7,spaceGroup:P2_12_12_1,id:mp-6648} |
| RD_113535369807_000 | computation | Reference Data From Materials Project: {formula:LaMg(BO2)5,spaceGroup:P2_1/c,id:mp-557758} |
| RD_113565582295_000 | computation | Reference Data From Materials Project: {formula:LuAlB4,spaceGroup:Pmcb,id:mp-8631} |
| RD_113657509941_000 | computation | Reference Data From Materials Project: {formula:Ce2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-541851} |
| RD_113663462046_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-850881} |
| RD_114241357588_000 | computation | Reference Data From Materials Project: {formula:LiFe8(BO3)8,spaceGroup:P1,id:mp-764518} |
| RD_114634345926_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-782654} |
| RD_114660839199_000 | computation | B in AFLOW crystal prototype A_tP48_134_2m2n. 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_114818025932_000 | computation | Reference Data From Materials Project: {formula:UB2C,spaceGroup:Pmcm,id:mp-569471} |
| RD_115014572603_000 | computation | Reference Data From Materials Project: {formula:LuCu(BO2)5,spaceGroup:Ibam,id:mp-18595} |
| RD_115125857965_000 | computation | Reference Data From Materials Project: {formula:Ce6B2(CBr)3,spaceGroup:P2/m,id:mp-570060} |
| RD_115513659665_000 | computation | Reference Data From Materials Project: {formula:TmCu(BO2)5,spaceGroup:Icma,id:mp-17395} |
| RD_116049939470_000 | computation | Reference Data From Materials Project: {formula:La(CoB)2,spaceGroup:I4/mmm,id:mp-2967} |
| RD_116407200868_000 | computation | Reference Data From Materials Project: {formula:Ni4B3,spaceGroup:Pmcn,id:mp-640067} |
| RD_116892385415_000 | computation | Reference Data From Materials Project: {formula:Bi(BO2)3,spaceGroup:P2_1/c,id:mp-557351} |
| RD_117811767302_000 | computation | Reference Data From Materials Project: {formula:MgBe2B,spaceGroup:F-43m,id:mp-631564} |
| RD_117828379654_000 | computation | Reference Data From Materials Project: {formula:GdBRh3,spaceGroup:Pm-3m,id:mp-19840} |
| RD_118852650662_000 | computation | Reference Data From Materials Project: {formula:TmB2Ru3,spaceGroup:P6/mmm,id:mp-5620} |
| RD_119021241068_000 | computation | Reference Data From Materials Project: {formula:Na3B5Se9,spaceGroup:I4_1/acd,id:mp-531600} |
| RD_119324478249_000 | computation | Reference Data From Materials Project: {formula:Ca(BC)2,spaceGroup:P4_2/mmc,id:mp-15607} |
| RD_119512603686_000 | computation | Reference Data From Materials Project: {formula:LiB6C,spaceGroup:Cm2m,id:mp-569450} |
| RD_120010484114_000 | computation | Reference Data From Materials Project: {formula:MnBO3,spaceGroup:P-6,id:mp-510766} |
| RD_120372776515_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_120408343190_000 | computation | Reference Data From Materials Project: {formula:CaB2F8,spaceGroup:Pcab,id:mp-12146} |
| RD_120431967607_000 | computation | Reference Data From Materials Project: {formula:Ce3B2(ClO2)3,spaceGroup:P6_3/m,id:mp-680695} |
| RD_121568454064_000 | computation | Reference Data From Materials Project: {formula:Ni2B,spaceGroup:I4/mcm,id:mp-2536} |
| RD_121654987433_000 | computation | Reference Data From Materials Project: {formula:Al5BO9,spaceGroup:Ccm2_1,id:mp-3281} |
| RD_122979795029_000 | computation | Reference Data From Materials Project: {formula:CaB2Rh3,spaceGroup:P6/mmm,id:mp-28705} |
| RD_123231384147_000 | computation | Reference Data From Materials Project: {formula:HoBRh3,spaceGroup:Pm-3m,id:mp-3710} |
| RD_123644033628_000 | computation | Reference Data From Materials Project: {formula:Sn2BSe,spaceGroup:Fm-3m,id:mp-631557} |
| RD_124398945127_000 | computation | Reference Data From Materials Project: {formula:MgB2H6O7,spaceGroup:P4_2/n,id:mp-706910} |
| RD_124416922006_000 | computation | Reference Data From Materials Project: {formula:Ce3Si2BO10,spaceGroup:Pcab,id:mp-558019} |
| RD_124606867152_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-780877} |
| RD_124897774000_000 | computation | Reference Data From Materials Project: {formula:NaB(CN)4,spaceGroup:Fd-3m,id:mp-571433} |
| RD_124903232450_000 | computation | Reference Data From Materials Project: {formula:La3B(CBr)2,spaceGroup:Pmcn,id:mp-569072} |
| RD_125061283832_000 | computation | Reference Data From Materials Project: {formula:Gd2B3C2,spaceGroup:Cmmm,id:mp-28702} |
| RD_125061481180_000 | computation | Reference Data From Materials Project: {formula:V2B(PO4)3,spaceGroup:P6_3/m,id:mp-578912} |
| RD_125124195786_000 | computation | Reference Data From Materials Project: {formula:Ca2B2O5,spaceGroup:P2_1/c,id:mp-3859} |
| RD_125329289369_000 | computation | Reference Data From Materials Project: {formula:YCo3B2,spaceGroup:P6/mmm,id:mp-5019} |
| RD_125970418390_000 | computation | Reference Data From Materials Project: {formula:SmCo(BO2)5,spaceGroup:P2_1/c,id:mp-19489} |
| RD_126571499343_000 | computation | Reference Data From Materials Project: {formula:KBS2,spaceGroup:R-3c,id:mp-15012} |
| RD_126575911473_000 | computation | Reference Data From Materials Project: {formula:YBPt2,spaceGroup:P6_222,id:mp-5971} |
| RD_127178680986_000 | computation | Reference Data From Materials Project: {formula:KNa2Si12(BO10)3,spaceGroup:P6/mcc,id:mp-15541} |
| RD_127207385684_000 | computation | Reference Data From Materials Project: {formula:Li3Gd(BO3)2,spaceGroup:P2_1/c,id:mp-559706} |
| RD_127390908119_000 | computation | Reference Data From Materials Project: {formula:NaSr4(BN2)3,spaceGroup:Im-3m,id:mp-10811} |
| RD_127520730013_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-780470} |
| RD_127521513189_000 | computation | Reference Data From Materials Project: {formula:NbBO4,spaceGroup:I4_1/amd,id:mp-8615} |
| RD_128418943834_000 | computation | Reference Data From Materials Project: {formula:LiMnBO3,spaceGroup:P1,id:mp-771369} |
| RD_128940256468_000 | computation | Reference Data From Materials Project: {formula:Cs3BS3,spaceGroup:P2_1/c,id:mp-30222} |
| RD_129299187622_000 | computation | Reference Data From Materials Project: {formula:Lu(FeB)2,spaceGroup:I4/mmm,id:mp-12061} |
| RD_129355428912_000 | computation | Reference Data From Materials Project: {formula:CaB3H3O7,spaceGroup:P2_1/c,id:mp-722262} |
| RD_129604848886_000 | computation | Reference Data From Materials Project: {formula:Na3CrSiBO7,spaceGroup:P2_1/m,id:mp-771561} |
| RD_129655586268_000 | computation | Reference Data From Materials Project: {formula:GdB6,spaceGroup:Pm-3m,id:mp-22266} |
| RD_129692554609_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-778038} |
| RD_129964670221_000 | computation | Reference Data From Materials Project: {formula:Li3V3(BO5)2,spaceGroup:Pm,id:mp-770170} |
| RD_130331734955_000 | computation | Reference Data From Materials Project: {formula:LiVBO4,spaceGroup:R3,id:mp-771382} |
| RD_130401552907_000 | computation | Reference Data From Materials Project: {formula:LiFeBO3,spaceGroup:P-6,id:mp-769825} |
| RD_130655532342_000 | computation | Reference Data From Materials Project: {formula:PuB,spaceGroup:Fm-3m,id:mp-2765} |
| RD_130982167493_000 | computation | Reference Data From Materials Project: {formula:B5SbO10,spaceGroup:P2_1/c,id:mp-779174} |
| RD_131028671222_000 | computation | Reference Data From Materials Project: {formula:Li2Fe3(BO3)3,spaceGroup:Pm,id:mp-763765} |
| RD_131795789024_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-774189} |
| RD_131801240578_000 | computation | Reference Data From Materials Project: {formula:BaNdCuBO5,spaceGroup:P4bm,id:mp-10350} |
| RD_132116492071_000 | computation | Reference Data From Materials Project: {formula:SrBPO5,spaceGroup:P3_221,id:mp-558022} |
| RD_132307424874_000 | computation | Reference Data From Materials Project: {formula:Li6MnFe5(BO3)6,spaceGroup:Pm,id:mp-778014} |
| RD_133244947345_000 | computation | Reference Data From Materials Project: {formula:TiB2,spaceGroup:P6/mmm,id:mp-1145} |
| RD_133269545721_000 | computation | Reference Data From Materials Project: {formula:Li2Sn(BO3)2,spaceGroup:P2_1,id:mp-759667} |
| RD_133570210956_000 | computation | Reference Data From Materials Project: {formula:Na2Ca3B5H2S2ClO18,spaceGroup:C2/c,id:mp-707645} |
| RD_133667835297_000 | computation | Reference Data From Materials Project: {formula:MgB9N,spaceGroup:R-3m,id:mp-30091} |
| RD_133673580748_000 | computation | Reference Data From Materials Project: {formula:SmBPd3,spaceGroup:Pm-3m,id:mp-3428} |
| RD_133842044148_000 | computation | Reference Data From Materials Project: {formula:Bi(BO2)3,spaceGroup:P2_1ca,id:mp-554718} |
| RD_133895221085_000 | computation | Reference Data From Materials Project: {formula:KB6(HO)6,spaceGroup:P2_1/c,id:mp-867237} |
| RD_133970723010_000 | computation | Reference Data From Materials Project: {formula:Nd3BWO9,spaceGroup:P6_3,id:mp-565233} |
| RD_134209738949_000 | computation | Reference Data From Materials Project: {formula:BaBOF3,spaceGroup:Pmcn,id:mp-13680} |
| RD_134367141543_000 | computation | Reference Data From Materials Project: {formula:Mg3BN3,spaceGroup:P6_3/mmc,id:mp-28955} |
| RD_134470832149_000 | computation | Reference Data From Materials Project: {formula:Nd3Co11B4,spaceGroup:P6/mmm,id:mp-5568} |
| RD_134511410604_000 | computation | Reference Data From Materials Project: {formula:Ta5B6,spaceGroup:Cmmm,id:mp-28629} |
| RD_134799444357_000 | computation | Reference Data From Materials Project: {formula:CsNa2Be6(BO3)5,spaceGroup:C2,id:mp-866613} |
| RD_134889623365_000 | computation | Reference Data From Materials Project: {formula:LiBiB2O5,spaceGroup:C2/c,id:mp-768794} |
| RD_134938960470_000 | computation | Reference Data From Materials Project: {formula:Na2CoBAsO7,spaceGroup:P2_1/m,id:mp-772330} |
| RD_135079308177_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_135440736298_000 | computation | Reference Data From Materials Project: {formula:Dy(BO2)3,spaceGroup:Pmcn,id:mp-3261} |
| RD_135481083714_000 | computation | Reference Data From Materials Project: {formula:Al(FeB)2,spaceGroup:Cmmm,id:mp-3805} |
| RD_135494267786_000 | computation | Reference Data From Materials Project: {formula:TbB4Ru,spaceGroup:Pbam,id:mp-867230} |
| RD_135589782199_000 | computation | Reference Data From Materials Project: {formula:Li3Mn2Fe(BO3)3,spaceGroup:Pm,id:mp-779905} |
| RD_135602163740_000 | computation | Reference Data From Materials Project: {formula:NdNi4B,spaceGroup:Imma,id:mp-680551} |
| RD_136260446670_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P-1,id:mp-779362} |
| RD_136499348449_000 | computation | Reference Data From Materials Project: {formula:Bi4B2O9,spaceGroup:P2_1/c,id:mp-23356} |
| RD_136503564336_000 | computation | Reference Data From Materials Project: {formula:Rb2Al2B2O7,spaceGroup:P2_1/c,id:mp-559284} |
| RD_136573404394_000 | computation | Reference Data From Materials Project: {formula:CuB2(CN)8,spaceGroup:C2/m,id:mp-568532} |
| RD_136838408951_000 | computation | Reference Data From Materials Project: {formula:LuNiBC,spaceGroup:P4/nmm,id:mp-6188} |
| RD_137385896184_000 | computation | Reference Data From Materials Project: {formula:BIrPd,spaceGroup:F2dd,id:mp-28897} |
| RD_137468742427_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764693} |
| RD_137501473998_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-778353} |
| RD_137582746226_000 | computation | Reference Data From Materials Project: {formula:CuBIr,spaceGroup:F2dd,id:mp-28896} |
| RD_138044654843_000 | computation | Reference Data From Materials Project: {formula:U5(B12Mo5)2,spaceGroup:Pmnm,id:mp-662590} |
| RD_138410359061_000 | computation | Reference Data From Materials Project: {formula:Eu3BWO9,spaceGroup:P6_3,id:mp-566088} |
| RD_138451960429_000 | computation | Reference Data From Materials Project: {formula:NaB2HO4,spaceGroup:Pbca,id:mp-706489} |
| RD_138914701346_000 | computation | Reference Data From Materials Project: {formula:ZrBTe,spaceGroup:F-43m,id:mp-631518} |
| RD_138945737825_000 | computation | Reference Data From Materials Project: {formula:Bi2B2O7,spaceGroup:P-1,id:mp-756526} |
| RD_138970298303_000 | computation | Reference Data From Materials Project: {formula:Ce15B8N25,spaceGroup:R-3c,id:mp-683987} |
| RD_139301903313_000 | computation | Reference Data From Materials Project: {formula:NdB6,spaceGroup:Pm-3m,id:mp-1929} |
| RD_140390082781_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-764539} |
| RD_140666933786_000 | computation | Reference Data From Materials Project: {formula:LiCrBO3,spaceGroup:P-1,id:mp-770242} |
| RD_140993317094_000 | computation | Reference Data From Materials Project: {formula:AgB10H26C6N,spaceGroup:P2_1/c,id:mp-738633} |
| RD_141247804663_000 | computation | Reference Data From Materials Project: {formula:Tl2B4O7,spaceGroup:P-1,id:mp-16457} |
| RD_141555455026_000 | computation | Reference Data From Materials Project: {formula:ErCo3B2,spaceGroup:P6/mmm,id:mp-5353} |
| RD_142005552026_000 | computation | Reference Data From Materials Project: {formula:LiCa4(BN2)3,spaceGroup:Im-3m,id:mp-6799} |
| RD_142154216105_000 | computation | Reference Data From Materials Project: {formula:Eu2B5BrO9,spaceGroup:P2nn,id:mp-558834} |
| RD_142174829663_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P-1,id:mp-775239} |
| RD_142367313293_000 | computation | Reference Data From Materials Project: {formula:CaAlBO4,spaceGroup:Ccc2,id:mp-559759} |
| RD_142825121229_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_142901454608_000 | computation | Reference Data From Materials Project: {formula:FeB2C6(O3F4)2,spaceGroup:I4/m,id:mp-567042} |
| RD_143134805774_000 | computation | Reference Data From Materials Project: {formula:RbB5(H2O3)4,spaceGroup:Cc2e,id:mp-721194} |
| RD_143515373443_000 | computation | Reference Data From Materials Project: {formula:Mg3B(HO2)3,spaceGroup:P6_3/m,id:mp-554719} |
| RD_143637163797_000 | computation | Reference Data From Materials Project: {formula:ZrB2,spaceGroup:P6/mmm,id:mp-1472} |
| RD_143770918168_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-780156} |
| RD_143982642028_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:Pc,id:mp-764904} |
| RD_144635191563_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-781957} |
| RD_145935512111_000 | computation | Reference Data From Materials Project: {formula:Li3CrBO5,spaceGroup:P2_1nb,id:mp-769973} |
| RD_146013902114_000 | computation | Reference Data From Materials Project: {formula:In5B4Ir9,spaceGroup:P-62m,id:mp-570692} |
| RD_146137213786_000 | computation | Reference Data From Materials Project: {formula:Bi2B2O7,spaceGroup:P-1,id:mp-768952} |
| RD_146509515494_000 | computation | Reference Data From Materials Project: {formula:B2Mo2Ir,spaceGroup:Pmnn,id:mp-20391} |
| RD_146527176240_000 | computation | Reference Data From Materials Project: {formula:GdMnB4,spaceGroup:Pmcb,id:mp-505546} |
| RD_146922489764_000 | computation | Reference Data From Materials Project: {formula:SrBi2(B2O5)2,spaceGroup:P-1,id:mp-559364} |
| RD_146983410330_000 | computation | Reference Data From Materials Project: {formula:NiB4O7,spaceGroup:Cmcm,id:mp-566135} |
| RD_147134608924_000 | computation | Reference Data From Materials Project: {formula:Cr2B,spaceGroup:I4/mcm,id:mp-15809} |
| RD_147285029675_000 | computation | Reference Data From Materials Project: {formula:SrBi2B2O7,spaceGroup:P6_3/m,id:mp-558323} |
| RD_147535075720_000 | computation | Reference Data From Materials Project: {formula:UB2,spaceGroup:P6/mmm,id:mp-1514} |
| RD_147682796321_000 | computation | Reference Data From Materials Project: {formula:Li2Cr5B3O13,spaceGroup:P2_1/m,id:mp-772573} |
| RD_147978453372_000 | computation | Reference Data From Materials Project: {formula:RbLiB4O7,spaceGroup:P2_12_12_1,id:mp-6787} |
| RD_148357353793_000 | computation | Reference Data From Materials Project: {formula:Yb2AlB6,spaceGroup:Pmcb,id:mp-21102} |
| RD_148359544196_000 | computation | Reference Data From Materials Project: {formula:B5H9,spaceGroup:I4mm,id:mp-696597} |
| RD_148670613017_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-780436} |
| RD_148773400806_000 | computation | Reference Data From Materials Project: {formula:Na4Al3Ge3B(HO3)4,spaceGroup:P-43n,id:mp-535042} |
| RD_149271891565_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:R3m,id:mp-13150} |
| RD_149800806933_000 | computation | Reference Data From Materials Project: {formula:KNa2BO3,spaceGroup:Pnmm,id:mp-8263} |
| RD_149961415005_000 | computation | Reference Data From Materials Project: {formula:Li3Sn(BO2)5,spaceGroup:P-1,id:mp-768284} |
| RD_149997289559_000 | computation | Reference Data From Materials Project: {formula:BH5(NF2)2,spaceGroup:C2/c,id:mp-706612} |
| RD_150246029893_000 | computation | Reference Data From Materials Project: {formula:Na6Fe2B4PO16,spaceGroup:Fd3,id:mp-772422} |
| RD_150443273506_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764750} |
| RD_151014317269_000 | computation | Reference Data From Materials Project: {formula:BPt,spaceGroup:P6_3/mmc,id:mp-2192} |
| RD_151266935732_000 | computation | Reference Data From Materials Project: {formula:Cd(BO2)2,spaceGroup:Pna2_1,id:mp-780395} |
| RD_151432555196_000 | computation | Reference Data From Materials Project: {formula:BeAlB,spaceGroup:F-43m,id:mp-4262} |
| RD_151824770758_000 | computation | Reference Data From Materials Project: {formula:Li6B4O9,spaceGroup:P-1,id:mp-768875} |
| RD_152240729069_000 | computation | Reference Data From Materials Project: {formula:Li3Sn(BO3)2,spaceGroup:P2_1/c,id:mp-770287} |
| RD_152241687527_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-777139} |
| RD_152488485721_000 | computation | Reference Data From Materials Project: {formula:Nb3(Fe10B3)2,spaceGroup:Fm-3m,id:mp-21666} |
| RD_152754883244_000 | computation | Reference Data From Materials Project: {formula:Li3Mn(BO3)2,spaceGroup:P2_1/c,id:mp-771212} |
| RD_153238168172_000 | computation | Reference Data From Materials Project: {formula:PrBN2,spaceGroup:R-3c,id:mp-9028} |
| RD_153595949109_000 | computation | Reference Data From Materials Project: {formula:Y(BH4)3,spaceGroup:Pa3,id:mp-571369} |
| RD_153724263943_000 | computation | Reference Data From Materials Project: {formula:Y(FeB)2,spaceGroup:I4/mmm,id:mp-12077} |
| RD_153757640931_000 | computation | Reference Data From Materials Project: {formula:YbBPd3,spaceGroup:Pm-3m,id:mp-10135} |
| RD_153782628407_000 | computation | Reference Data From Materials Project: {formula:B13H19,spaceGroup:P2_1/c,id:mp-27200} |
| RD_154862494747_000 | computation | Reference Data From Materials Project: {formula:Ba(BRh)2,spaceGroup:I4/mmm,id:mp-7349} |
| RD_155539780326_000 | computation | Reference Data From Materials Project: {formula:Li3Co4(BO3)4,spaceGroup:Pc,id:mp-771395} |
| RD_155591585001_000 | computation | Reference Data From Materials Project: {formula:Ca2BN2F,spaceGroup:Pmnb,id:mp-10233} |
| RD_155793719968_000 | computation | Reference Data From Materials Project: {formula:Na3La9B8O27,spaceGroup:P-62m,id:mp-6760} |
| RD_156087976606_000 | computation | Reference Data From Materials Project: {formula:Na3LiMnBPO7,spaceGroup:P2_1/m,id:mp-763842} |
| RD_156331355944_000 | computation | Reference Data From Materials Project: {formula:Sr6YSc(BO3)6,spaceGroup:R-3,id:mp-18043} |
| RD_156376197204_000 | computation | Reference Data From Materials Project: {formula:CsTa(BO3)2,spaceGroup:Pnm2_1,id:mp-9309} |
| RD_156551927677_000 | computation | Reference Data From Materials Project: {formula:CaNiBP2H3O10,spaceGroup:C2/c,id:mp-25716} |
| RD_156974836748_000 | computation | Reference Data From Materials Project: {formula:Li3Mn2Fe(BO3)3,spaceGroup:Pm,id:mp-780631} |
| RD_157021257165_000 | computation | Reference Data From Materials Project: {formula:Al3(Ni10B3)2,spaceGroup:Fm-3m,id:mp-505472} |
| RD_157351026054_000 | computation | Reference Data From Materials Project: {formula:Fe2BO4,spaceGroup:Pc,id:mp-566717} |
| RD_157561786252_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:P2_1/c,id:mp-771409} |
| RD_157913865700_000 | computation | Reference Data From Materials Project: {formula:HgB4O7,spaceGroup:Pbca,id:mp-16585} |
| RD_158089932664_000 | computation | Reference Data From Materials Project: {formula:Ba3Ho(BO3)3,spaceGroup:P6_3cm,id:mp-14384} |
| RD_158102948099_000 | computation | Reference Data From Materials Project: {formula:ThB2O5,spaceGroup:C2/c,id:mp-28641} |
| RD_158475700118_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764662} |
| RD_158818817739_000 | computation | Reference Data From Materials Project: {formula:Al(Ni3B2)4,spaceGroup:Cmce,id:mp-866315} |
| RD_158881704542_000 | computation | Reference Data From Materials Project: {formula:Nd3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-16085} |
| RD_158889587045_000 | computation | Reference Data From Materials Project: {formula:Co21(ReB3)2,spaceGroup:Fm-3m,id:mp-541852} |
| RD_159068307316_000 | computation | Reference Data From Materials Project: {formula:RbLi2B3Sb2O9,spaceGroup:P2/c,id:mp-769329} |
| RD_159569573887_000 | computation | Reference Data From Materials Project: {formula:Bi2B8O15,spaceGroup:P2_1,id:mp-542931} |
| RD_159996129412_000 | computation | Reference Data From Materials Project: {formula:Y2B3C2,spaceGroup:Cmmm,id:mp-29896} |
| RD_160105960855_000 | computation | Reference Data From Materials Project: {formula:Ba3Sc(BO2)9,spaceGroup:P6_3/m,id:mp-557994} |
| RD_160217431185_000 | computation | Reference Data From Materials Project: {formula:AlB2,spaceGroup:P6/mmm,id:mp-944} |
| RD_160504378717_000 | computation | BZr in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_160527093640_000 | computation | Reference Data From Materials Project: {formula:B2Au,spaceGroup:P6/mmm,id:mp-10681} |
| RD_160797950266_000 | computation | Reference Data From Materials Project: {formula:Ba3Sc(BO2)9,spaceGroup:P6_3/m,id:mp-557994} |
| RD_161533234112_000 | computation | Reference Data From Materials Project: {formula:MnB2,spaceGroup:P6/mmm,id:mp-585} |
| RD_161595177103_000 | computation | Reference Data From Materials Project: {formula:U3Co7B2,spaceGroup:P6_3/mmc,id:mp-505344} |
| RD_161888866171_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_162042673639_000 | computation | Reference Data From Materials Project: {formula:SrCu2(BO3)2,spaceGroup:I-42m,id:mp-6602} |
| RD_162296741164_000 | computation | Reference Data From Materials Project: {formula:Zr6BI12,spaceGroup:R-3,id:mp-760421} |
| RD_162584554124_000 | computation | Reference Data From Materials Project: {formula:Sm3BWO9,spaceGroup:P6_3,id:mp-566537} |
| RD_162765390161_000 | computation | Reference Data From Materials Project: {formula:PrB2Rh3,spaceGroup:P6/mmm,id:mp-5369} |
| RD_163150927557_000 | computation | Reference Data From Materials Project: {formula:Li2Fe(BO3)2,spaceGroup:P2_1/c,id:mp-776785} |
| RD_163576532391_000 | computation | Reference Data From Materials Project: {formula:Mg2B4Ru5,spaceGroup:Pmcb,id:mp-541066} |
| RD_163896177271_000 | computation | Reference Data From Materials Project: {formula:NiBiB,spaceGroup:F-43m,id:mp-631538} |
| RD_164000833375_000 | computation | Reference Data From Materials Project: {formula:UNi7(BO4)4,spaceGroup:Pnmn,id:mp-652806} |
| RD_164278130048_000 | computation | Reference Data From Materials Project: {formula:Li2VBO4,spaceGroup:Pna2_1,id:mp-770151} |
| RD_164430023858_000 | computation | Reference Data From Materials Project: {formula:RbLi2Ni2(BO3)3,spaceGroup:P2/c,id:mp-770719} |
| RD_164617758473_000 | computation | Reference Data From Materials Project: {formula:Rb2B10H6O19,spaceGroup:P-1,id:mp-698164} |
| RD_165101608526_000 | computation | Reference Data From Materials Project: {formula:Ho2Fe14B,spaceGroup:P4_2/mnm,id:mp-14698} |
| RD_166019779646_000 | computation | Reference Data From Materials Project: {formula:Li2BPt3,spaceGroup:P4_332,id:mp-20234} |
| RD_166149514984_000 | computation | Reference Data From Materials Project: {formula:KB5O8,spaceGroup:Pbca,id:mp-648384} |
| RD_166539115803_000 | computation | Reference Data From Materials Project: {formula:HfCo3B2,spaceGroup:P6/mmm,id:mp-7804} |
| RD_166796534907_000 | computation | Reference Data From Materials Project: {formula:Hf9BMo4,spaceGroup:P6_3/mmc,id:mp-18024} |
| RD_166885945772_000 | computation | Reference Data From Materials Project: {formula:Li11Fe12(BO3)12,spaceGroup:P1,id:mp-769445} |
| RD_166898448793_000 | computation | Reference Data From Materials Project: {formula:LiSiBO4,spaceGroup:I-4,id:mp-8874} |
| RD_167033362455_000 | computation | Reference Data From Materials Project: {formula:KTa(BO3)2,spaceGroup:Pnm2_1,id:mp-555150} |
| RD_167134466753_000 | computation | Reference Data From Materials Project: {formula:Gd3B2(O2F)3,spaceGroup:C2/c,id:mp-669375} |
| RD_167885631032_000 | computation | Reference Data From Materials Project: {formula:K11B62,spaceGroup:Pm,id:mp-685078} |
| RD_168022467864_000 | computation | Reference Data From Materials Project: {formula:YbAl3(BO3)4,spaceGroup:R32,id:mp-11110} |
| RD_168702364039_000 | computation | Reference Data From Materials Project: {formula:Sn2BF7,spaceGroup:Pmnb,id:mp-27430} |
| RD_169314762719_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_169361249883_000 | computation | Reference Data From Materials Project: {formula:B(HO)3,spaceGroup:P3_2,id:mp-759069} |
| RD_169875384146_000 | computation | Reference Data From Materials Project: {formula:Ca7(B7Rh10)2,spaceGroup:Fmmm,id:mp-568511} |
| RD_170402161515_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764472} |
| RD_170765628797_000 | computation | Reference Data From Materials Project: {formula:PrBRh3,spaceGroup:Pm-3m,id:mp-5200} |
| RD_170852202666_000 | computation | Reference Data From Materials Project: {formula:Na3CoBSO7,spaceGroup:P2_1/m,id:mp-771403} |
| RD_170872511105_000 | computation | Reference Data From Materials Project: {formula:Dy3Ni13B2,spaceGroup:P6/mmm,id:mp-542729} |
| RD_171310544994_000 | computation | Reference Data From Materials Project: {formula:PrNiB4,spaceGroup:I4/mmm,id:mp-861608} |
| RD_171860058911_000 | computation | Reference Data From Materials Project: {formula:HoB2Rh2C,spaceGroup:I4/mmm,id:mp-567969} |
| RD_172324544709_000 | computation | Reference Data From Materials Project: {formula:BaCuB2O5,spaceGroup:C2,id:mp-551135} |
| RD_172582741113_000 | computation | Reference Data From Materials Project: {formula:DyBPd3,spaceGroup:Pm-3m,id:mp-10060} |
| RD_172645460182_000 | computation | Reference Data From Materials Project: {formula:Na4Ga3Si3B(HO3)4,spaceGroup:P-43n,id:mp-534870} |
| RD_173276093028_000 | computation | Reference Data From Materials Project: {formula:ZrB,spaceGroup:Fm-3m,id:mp-451} |
| RD_173473982442_000 | computation | Reference Data From Materials Project: {formula:RbBS3,spaceGroup:P2_1/c,id:mp-9047} |
| RD_175243242377_000 | computation | Reference Data From Materials Project: {formula:NaBH8O7,spaceGroup:P-1,id:mp-721727} |
| RD_175358107901_000 | computation | Reference Data From Materials Project: {formula:Hf2BiB,spaceGroup:F-43m,id:mp-631558} |
| RD_175473193812_000 | computation | Reference Data From Materials Project: {formula:Ba2Co(BO2)6,spaceGroup:R-3,id:mp-18735} |
| RD_175603134204_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-853214} |
| RD_175867411534_000 | computation | Reference Data From Materials Project: {formula:LiBC,spaceGroup:P6_3/mmc,id:mp-9244} |
| RD_176127465504_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_176162761314_000 | computation | Reference Data From Materials Project: {formula:LaB4,spaceGroup:P4/mbm,id:mp-7283} |
| RD_176932750486_000 | computation | Reference Data From Materials Project: {formula:K2B10H9O,spaceGroup:P2_1/c,id:mp-705892} |
| RD_177315188050_000 | computation | Reference Data From Materials Project: {formula:Ca2B3(HO)13,spaceGroup:P-1,id:mp-699451} |
| RD_177692956398_000 | computation | Reference Data From Materials Project: {formula:K2B10H13O2,spaceGroup:P-1,id:mp-705494} |
| RD_177952311610_000 | computation | Reference Data From Materials Project: {formula:Nd(BC)2,spaceGroup:P4/mbm,id:mp-5765} |
| RD_178007553011_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-778331} |
| RD_178110248724_000 | computation | Reference Data From Materials Project: {formula:Li3Mn2Fe(BO3)3,spaceGroup:Pm,id:mp-778913} |
| RD_178264047552_000 | computation | Reference Data From Materials Project: {formula:B5H15C3N,spaceGroup:P2_1/c,id:mp-600191} |
| RD_178454016589_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_178807022757_000 | computation | Reference Data From Materials Project: {formula:PrB4,spaceGroup:P4/mbm,id:mp-12569} |
| RD_179266649413_000 | computation | Reference Data From Materials Project: {formula:Sc2SiB2Ir5,spaceGroup:P4/mbm,id:mp-22014} |
| RD_179394092127_000 | computation | Reference Data From Materials Project: {formula:Zn4B6O13,spaceGroup:I-43m,id:mp-4812} |
| RD_179426437509_000 | computation | Reference Data From Materials Project: {formula:TlBO2,spaceGroup:P4_1,id:mp-28244} |
| RD_179863296199_000 | computation | Reference Data From Materials Project: {formula:CaZrAl9BO18,spaceGroup:P6_3/m,id:mp-559642} |
| RD_180169846091_000 | computation | Reference Data From Materials Project: {formula:Tb10B2Br15,spaceGroup:P-1,id:mp-29846} |
| RD_180652881255_000 | computation | Reference Data From Materials Project: {formula:CeBPt4,spaceGroup:P6/mmm,id:mp-20051} |
| RD_180672669219_000 | computation | Reference Data From Materials Project: {formula:LiNiBO3,spaceGroup:P-1,id:mp-761322} |
| RD_180984365997_000 | computation | Reference Data From Materials Project: {formula:LuBPd3,spaceGroup:Pm-3m,id:mp-3105} |
| RD_181281071474_000 | computation | Reference Data From Materials Project: {formula:Bi2BO5,spaceGroup:Cmc2_1,id:mp-754692} |
| RD_181355442837_000 | computation | Reference Data From Materials Project: {formula:Cr2B,spaceGroup:Fddd,id:mp-569424} |
| RD_181391557411_000 | computation | Reference Data From Materials Project: {formula:TmCo3B2,spaceGroup:P6/mmm,id:mp-5714} |
| RD_181529643074_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-850233} |
| RD_181536621241_000 | computation | Reference Data From Materials Project: {formula:B2AsCl2,spaceGroup:P-1,id:mp-29028} |
| RD_181630282439_000 | computation | Reference Data From Materials Project: {formula:Gd2(FeB)7,spaceGroup:Pccn,id:mp-680207} |
| RD_181664282645_000 | computation | Reference Data From Materials Project: {formula:NdB2Rh2C,spaceGroup:I4/mmm,id:mp-569294} |
| RD_181688452285_000 | computation | Reference Data From Materials Project: {formula:Na3Ca(BO2)5,spaceGroup:P-1,id:mp-614628} |
| RD_181825501617_000 | computation | Reference Data From Materials Project: {formula:TlBCl2,spaceGroup:F-43m,id:mp-631519} |
| RD_182248111698_000 | computation | Reference Data From Materials Project: {formula:YBRh3,spaceGroup:Pm-3m,id:mp-29725} |
| RD_182328045403_000 | computation | Reference Data From Materials Project: {formula:Pr2Fe14B,spaceGroup:P4_2/mnm,id:mp-569428} |
| RD_182850692340_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764617} |
| RD_183828570095_000 | computation | Reference Data From Materials Project: {formula:ScBRh3,spaceGroup:Pm-3m,id:mp-569875} |
| RD_183988939705_000 | computation | Reference Data From Materials Project: {formula:MnB4O7,spaceGroup:Cmcm,id:mp-566848} |
| RD_184287229573_000 | computation | Reference Data From Materials Project: {formula:B5Mo2,spaceGroup:R-3m,id:mp-7229} |
| RD_184326167838_000 | computation | BZr in AFLOW crystal prototype A2B_hP3_191_c_b (Hexagonal omega). Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_184891199217_000 | computation | Reference Data From Materials Project: {formula:BaAlBO3F2,spaceGroup:P6_3/m,id:mp-10510} |
| RD_184971071116_000 | computation | Reference Data From Materials Project: {formula:Li2SnBO4,spaceGroup:P2_1/c,id:mp-770833} |
| RD_185004987899_000 | computation | Reference Data From Materials Project: {formula:YB6,spaceGroup:Pm-3m,id:mp-2203} |
| RD_185094055600_000 | computation | Reference Data From Materials Project: {formula:Na2Zr12B2I5Cl23,spaceGroup:Pc,id:mp-532604} |
| RD_185095845749_000 | computation | Reference Data From Materials Project: {formula:Li3In(BO3)2,spaceGroup:P2_1/c,id:mp-556799} |
| RD_185267227719_000 | computation | Reference Data From Materials Project: {formula:AlBPbO4,spaceGroup:Pmnb,id:mp-559276} |
| RD_185376207961_000 | computation | Reference Data From Materials Project: {formula:RbBe2BO3F2,spaceGroup:R32,id:mp-7323} |
| RD_185950115760_000 | computation | Reference Data From Materials Project: {formula:Tl3BO3,spaceGroup:P6_3/m,id:mp-4584} |
| RD_185998412189_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_186301795134_000 | computation | Reference Data From Materials Project: {formula:B12H21C4S2I,spaceGroup:P2_1/c,id:mp-849805} |
| RD_186332717054_000 | computation | Reference Data From Materials Project: {formula:ThB6,spaceGroup:Pm-3m,id:mp-1756} |
| RD_186628420458_000 | computation | Reference Data From Materials Project: {formula:Li7Mn8(BO3)8,spaceGroup:P1,id:mp-778813} |
| RD_186633004767_000 | computation | Reference Data From Materials Project: {formula:Cd(BO2)2,spaceGroup:R3c,id:mp-780282} |
| RD_186649558883_000 | computation | Reference Data From Materials Project: {formula:Mg3B7ClO13,spaceGroup:F-43c,id:mp-23617} |
| RD_187420483843_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_188011200580_000 | computation | Reference Data From Materials Project: {formula:BCl(OF2)2,spaceGroup:Cc,id:mp-754459} |
| RD_188354066434_000 | computation | Reference Data From Materials Project: {formula:KNa(BH4)2,spaceGroup:P3m1,id:mp-571414} |
| RD_188768871763_000 | computation | Reference Data From Materials Project: {formula:NdNi2B2C,spaceGroup:I4/mmm,id:mp-6102} |
| RD_188818765432_000 | computation | Reference Data From Materials Project: {formula:Li2Fe2B2O7,spaceGroup:P2_1/c,id:mp-779057} |
| RD_188913397821_000 | computation | Reference Data From Materials Project: {formula:K3Nb3(BO6)2,spaceGroup:P-62m,id:mp-15248} |
| RD_189238237649_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P-6m2,id:mp-604884} |
| RD_189813163530_000 | computation | Reference Data From Materials Project: {formula:La4B2CI5,spaceGroup:C2/m,id:mp-672196} |
| RD_189981309808_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P-1,id:mp-849233} |
| RD_190259919335_000 | computation | Reference Data From Materials Project: {formula:CaB2(H2O3)2,spaceGroup:C2/c,id:mp-696618} |
| RD_190327328650_000 | computation | Reference Data From Materials Project: {formula:KB5O8,spaceGroup:Pbca,id:mp-12183} |
| RD_190452223807_000 | computation | Reference Data From Materials Project: {formula:Na3B6NO13,spaceGroup:Pcmn,id:mp-558548} |
| RD_190484474757_000 | computation | Reference Data From Materials Project: {formula:YB2,spaceGroup:P6/mmm,id:mp-1542} |
| RD_190538926435_000 | computation | Reference Data From Materials Project: {formula:UFe3B2,spaceGroup:P6/mmm,id:mp-10065} |
| RD_191005552365_000 | computation | Reference Data From Materials Project: {formula:Fe5B2P,spaceGroup:I4/mcm,id:mp-9913} |
| RD_191182763219_000 | computation | Reference Data From Materials Project: {formula:Na6Cr2B4PO16,spaceGroup:Fd3,id:mp-780628} |
| RD_191192845285_000 | computation | Reference Data From Materials Project: {formula:YB2Ir3,spaceGroup:P6/mmm,id:mp-31098} |
| RD_191287422332_000 | computation | Reference Data From Materials Project: {formula:Sr3Er2(BO3)4,spaceGroup:Pna2_1,id:mp-13960} |
| RD_191398923143_000 | computation | Reference Data From Materials Project: {formula:Na3Ca(BO2)5,spaceGroup:P-1,id:mp-542719} |
| RD_191866820339_000 | computation | Reference Data From Materials Project: {formula:Dy2Co7B3,spaceGroup:P6/mmm,id:mp-569158} |
| RD_191944395428_000 | computation | Reference Data From Materials Project: {formula:K3BAs2,spaceGroup:C2/c,id:mp-9665} |
| RD_192058621059_000 | computation | Reference Data From Materials Project: {formula:Na3Mn(BO3)2,spaceGroup:P2_1/c,id:mp-773605} |
| RD_192317137888_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-777944} |
| RD_192480807146_000 | computation | Reference Data From Materials Project: {formula:CaGaBO4,spaceGroup:Ccc2,id:mp-557855} |
| RD_192722939520_000 | computation | Reference Data From Materials Project: {formula:Na3B5Pt9,spaceGroup:Cmcm,id:mp-505055} |
| RD_192928946907_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-780335} |
| RD_193213654905_000 | computation | Reference Data From Materials Project: {formula:RbLi2Fe2(BO3)3,spaceGroup:P2/c,id:mp-770709} |
| RD_193680893722_000 | computation | Reference Data From Materials Project: {formula:Ca2B5Os3,spaceGroup:C2,id:mp-542455} |
| RD_193835855187_000 | computation | Reference Data From Materials Project: {formula:AgBH2OF4,spaceGroup:Pcab,id:mp-24058} |
| RD_194046510140_000 | computation | Reference Data From Materials Project: {formula:TbB2Rh2C,spaceGroup:I4/mmm,id:mp-12736} |
| RD_194696699882_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-774081} |
| RD_194737002533_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_194841524881_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764543} |
| RD_194947950300_000 | computation | Reference Data From Materials Project: {formula:Sr3La2(BO3)4,spaceGroup:Pna2_1,id:mp-12295} |
| RD_194957784474_000 | computation | Reference Data From Materials Project: {formula:AlBMo,spaceGroup:Cmcm,id:mp-7574} |
| RD_194975116373_000 | computation | Reference Data From Materials Project: {formula:Sc3TlB,spaceGroup:Pm-3m,id:mp-10140} |
| RD_195590058140_000 | computation | Reference Data From Materials Project: {formula:Bi25BO39,spaceGroup:P1,id:mp-759766} |
| RD_196228971104_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-780182} |
| RD_196257785100_000 | computation | Reference Data From Materials Project: {formula:Tb3Ni13B2,spaceGroup:P6/mmm,id:mp-541883} |
| RD_196320580367_000 | computation | Reference Data From Materials Project: {formula:Li6Y(BO3)3,spaceGroup:P2_1/c,id:mp-14704} |
| RD_196502616804_000 | computation | Reference Data From Materials Project: {formula:Li9Cr4(BO3)8,spaceGroup:P1,id:mp-765270} |
| RD_196655706813_000 | computation | Reference Data From Materials Project: {formula:Li2Ti(BO3)2,spaceGroup:P-1,id:mp-755783} |
| RD_196733269092_000 | computation | Reference Data From Materials Project: {formula:NbBW,spaceGroup:F-43m,id:mp-631531} |
| RD_197417282086_000 | computation | Reference Data From Materials Project: {formula:ScB2,spaceGroup:P6/mmm,id:mp-2252} |
| RD_197787542293_000 | computation | Reference Data From Materials Project: {formula:B9H11N4,spaceGroup:P2_1/c,id:mp-28668} |
| RD_197963674597_000 | computation | Reference Data From Materials Project: {formula:NaB2H5O6,spaceGroup:R32,id:mp-706629} |
| RD_198325575500_000 | computation | Reference Data From Materials Project: {formula:Li3FeB4O9,spaceGroup:P2_1/m,id:mp-761291} |
| RD_198460201697_000 | computation | Reference Data From Materials Project: {formula:Ba3BPO7,spaceGroup:P6_3mc,id:mp-554479} |
| RD_198542089668_000 | computation | Reference Data From Materials Project: {formula:B2Pd5,spaceGroup:C2/c,id:mp-2617} |
| RD_198980962180_000 | computation | Reference Data From Materials Project: {formula:ErB2Ru3,spaceGroup:P6/mmm,id:mp-3093} |
| RD_199499201553_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764612} |
| RD_199646949033_000 | computation | Reference Data From Materials Project: {formula:LiFeBO3,spaceGroup:P2_1/c,id:mp-779311} |
| RD_199684205240_000 | computation | Reference Data From Materials Project: {formula:Nd(BO2)3,spaceGroup:C2/c,id:mp-3615} |
| RD_199830530523_000 | computation | Reference Data From Materials Project: {formula:ThB2C,spaceGroup:R-3m,id:mp-2997} |
| RD_199836970794_000 | computation | Reference Data From Materials Project: {formula:NdGeBO5,spaceGroup:P2_1/c,id:mp-540996} |
| RD_199870586957_000 | computation | Reference Data From Materials Project: {formula:Bi12BO20,spaceGroup:I23,id:mp-769060} |
| RD_200082650783_000 | computation | Reference Data From Materials Project: {formula:BAsPbO5,spaceGroup:P3_1,id:mp-22430} |
| RD_200092419654_000 | computation | Reference Data From Materials Project: {formula:Sn4B3Ir7,spaceGroup:P6_3/m,id:mp-28999} |
| RD_200286312655_000 | computation | Reference Data From Materials Project: {formula:Nd3Ni13B2,spaceGroup:P6/mmm,id:mp-3071} |
| RD_200952714420_000 | computation | Reference Data From Materials Project: {formula:ZrB12,spaceGroup:Fm-3m,id:mp-1084} |
| RD_201466632478_000 | computation | Reference Data From Materials Project: {formula:SrGa2B2O7,spaceGroup:Cmcm,id:mp-556046} |
| RD_201708370957_000 | computation | Reference Data From Materials Project: {formula:Al3(BRu2)2,spaceGroup:P4/mmm,id:mp-541849} |
| RD_201935151425_000 | computation | Reference Data From Materials Project: {formula:Li3Mn(BO2)5,spaceGroup:P-1,id:mp-771291} |
| RD_202130741379_000 | computation | Reference Data From Materials Project: {formula:Co21(ReB3)2,spaceGroup:Fm-3m,id:mp-541852} |
| RD_202153573457_000 | computation | Reference Data From Materials Project: {formula:HfNbB4,spaceGroup:Immm,id:mp-38818} |
| RD_202255264231_000 | computation | Reference Data From Materials Project: {formula:Ca2B5BrO9,spaceGroup:P2nn,id:mp-554056} |
| RD_202257279944_000 | computation | Reference Data From Materials Project: {formula:B,spaceGroup:R-3m,id:mp-541848} |
| RD_202316063988_000 | computation | BHf 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_202457793254_000 | computation | Reference Data From Materials Project: {formula:Nd5Co19B6,spaceGroup:P6/mmm,id:mp-569415} |
| RD_202783513720_000 | computation | Reference Data From Materials Project: {formula:Ho4(B2O5)3,spaceGroup:C2/c,id:mp-17714} |
| RD_202798026284_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-782642} |
| RD_202839164014_000 | computation | Reference Data From Materials Project: {formula:Li3Ni(BO3)2,spaceGroup:P2_1/c,id:mp-770786} |
| RD_202942399965_000 | computation | Reference Data From Materials Project: {formula:BaBPO5,spaceGroup:P3_121,id:mp-15840} |
| RD_203306947867_000 | computation | Reference Data From Materials Project: {formula:FeCoBO4,spaceGroup:Pmnb,id:mp-540710} |
| RD_203326921948_000 | computation | Reference Data From Materials Project: {formula:Li3V3(BO5)2,spaceGroup:P1,id:mp-770368} |
| RD_204582857208_000 | computation | Reference Data From Materials Project: {formula:NaMgBO3,spaceGroup:C2/c,id:mp-561536} |
| RD_205174025309_000 | computation | Reference Data From Materials Project: {formula:PrGeBO5,spaceGroup:P3_1,id:mp-559590} |
| RD_205361093037_000 | computation | Reference Data From Materials Project: {formula:Hf(BH4)4,spaceGroup:P-43m,id:mp-28040} |
| RD_205826163480_000 | computation | Reference Data From Materials Project: {formula:Ca2BClO3,spaceGroup:P2_1/c,id:mp-554263} |
| RD_205864546668_000 | computation | Reference Data From Materials Project: {formula:Ca(BO2)2,spaceGroup:Pc2_1n,id:mp-556826} |
| RD_205924902975_000 | computation | Reference Data From Materials Project: {formula:CsB(CF4)2,spaceGroup:P2_1/m,id:mp-505375} |
| RD_206003426413_000 | computation | Reference Data From Materials Project: {formula:LiBO2,spaceGroup:I-42d,id:mp-14232} |
| RD_206072503229_000 | computation | Reference Data From Materials Project: {formula:LiCoBO3,spaceGroup:Cc,id:mp-766795} |
| RD_206662195063_000 | computation | Reference Data From Materials Project: {formula:LiFeB2O5,spaceGroup:C2/c,id:mp-774231} |
| RD_207928622877_000 | computation | Reference Data From Materials Project: {formula:Dy5Si3B,spaceGroup:P6_3/mcm,id:mp-13237} |
| RD_208162861100_000 | computation | Reference Data From Materials Project: {formula:Mg(B6C)2,spaceGroup:Imma,id:mp-568803} |
| RD_208279498502_000 | computation | Reference Data From Materials Project: {formula:Li3MnFe2(BO3)3,spaceGroup:Pm,id:mp-778821} |
| RD_208583469799_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_208770351976_000 | computation | Reference Data From Materials Project: {formula:CsNb(BO3)2,spaceGroup:Pnm2_1,id:mp-6257} |
| RD_208882346202_000 | computation | Reference Data From Materials Project: {formula:BN(OF2)2,spaceGroup:P2_1/c,id:mp-555207} |
| RD_209352928002_000 | computation | Reference Data From Materials Project: {formula:AlBP2H5NO9,spaceGroup:P2_1/c,id:mp-24757} |
| RD_209451617961_000 | computation | BC in AFLOW crystal prototype AB7_cP8_215_a_ce. 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_209548693429_000 | computation | Reference Data From Materials Project: {formula:Tb2Fe14B,spaceGroup:P4_2/mnm,id:mp-5759} |
| RD_209591706338_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-764888} |
| RD_210930289357_000 | computation | Reference Data From Materials Project: {formula:Li3BiB8O15,spaceGroup:P2_1/c,id:mp-777730} |
| RD_211079295630_000 | computation | Reference Data From Materials Project: {formula:SrB2F8,spaceGroup:Pcab,id:mp-556106} |
| RD_211157739235_000 | computation | Reference Data From Materials Project: {formula:B,spaceGroup:P4_2/nnm,id:mp-570316} |
| RD_211906471403_000 | computation | Reference Data From Materials Project: {formula:SrAl2B2O7,spaceGroup:R-3c,id:mp-558669} |
| RD_212098038061_000 | computation | Reference Data From Materials Project: {formula:Li3Fe(BO3)2,spaceGroup:P1,id:mp-765267} |
| RD_212103907534_000 | computation | Reference Data From Materials Project: {formula:LaNi4B,spaceGroup:P6/mmm,id:mp-4634} |
| RD_212232658615_000 | computation | Reference Data From Materials Project: {formula:Li5Bi2(BO3)4,spaceGroup:Pc,id:mp-768452} |
| RD_212291306883_000 | computation | Reference Data From Materials Project: {formula:NaBPt3,spaceGroup:P6/mmm,id:mp-28614} |
| RD_212990193412_000 | computation | Reference Data From Materials Project: {formula:Na2Ni2(B4O7)3,spaceGroup:C2/c,id:mp-704915} |
| RD_213660709028_000 | computation | Reference Data From Materials Project: {formula:NdBPd3,spaceGroup:Pm-3m,id:mp-10120} |
| RD_213713242133_000 | computation | Reference Data From Materials Project: {formula:Nd3BWO9,spaceGroup:P6_3,id:mp-565233} |
| RD_213732523953_000 | computation | Reference Data From Materials Project: {formula:Mg2B2O5,spaceGroup:P2_1/c,id:mp-18256} |
| RD_213894945238_000 | computation | Reference Data From Materials Project: {formula:Ga3B4Pt9,spaceGroup:P-62c,id:mp-28869} |
| RD_214344326984_000 | computation | Reference Data From Materials Project: {formula:VBO4,spaceGroup:P-1,id:mp-771386} |
| RD_214682886655_000 | computation | Reference Data From Materials Project: {formula:CaNi4B,spaceGroup:P6/mmm,id:mp-8307} |
| RD_214779991719_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764548} |
| RD_215481372444_000 | computation | Reference Data From Materials Project: {formula:CaB6,spaceGroup:Pm-3m,id:mp-865} |
| RD_216032408416_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P1,id:mp-778897} |
| RD_217957476165_000 | computation | Reference Data From Materials Project: {formula:CsB2H5O6,spaceGroup:P2_1/c,id:mp-867975} |
| RD_217996584998_000 | computation | Reference Data From Materials Project: {formula:BaB2H2O5,spaceGroup:P2/c,id:mp-757727} |
| RD_218095376296_000 | computation | Reference Data From Materials Project: {formula:FeNi2BO5,spaceGroup:Pmcb,id:mp-25748} |
| RD_218418210897_000 | computation | Reference Data From Materials Project: {formula:BCl,spaceGroup:P2_12_12_1,id:mp-23256} |
| RD_218694530502_000 | computation | Reference Data From Materials Project: {formula:Li3MnFe2(BO3)3,spaceGroup:Pm,id:mp-774366} |
| RD_219681994974_000 | computation | Reference Data From Materials Project: {formula:Dy2B4O9,spaceGroup:P-1,id:mp-16600} |
| RD_219700152131_000 | computation | Reference Data From Materials Project: {formula:NaCa2B9(H2O5)4,spaceGroup:P2_1/c,id:mp-722342} |
| RD_219771665702_000 | computation | Reference Data From Materials Project: {formula:Lu2FeB6,spaceGroup:Pmcb,id:mp-505545} |
| RD_220132117941_000 | computation | Reference Data From Materials Project: {formula:B2Mo,spaceGroup:R-3m,id:mp-2331} |
| RD_220187890915_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_220255707120_000 | computation | Reference Data From Materials Project: {formula:La2Ni5B4,spaceGroup:C2/m,id:mp-3471} |
| RD_220288526739_000 | computation | Reference Data From Materials Project: {formula:ThB6,spaceGroup:Pm-3m,id:mp-1756} |
| RD_220340948067_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_220550879465_000 | computation | Reference Data From Materials Project: {formula:Pr3Co11B4,spaceGroup:P6/mmm,id:mp-5457} |
| RD_220714837308_000 | computation | Reference Data From Materials Project: {formula:LaNi4B,spaceGroup:P6/mmm,id:mp-4634} |
| RD_221344387466_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-775280} |
| RD_222142005057_000 | computation | Reference Data From Materials Project: {formula:B84O11,spaceGroup:P1,id:mp-758800} |
| RD_222708427908_000 | computation | Reference Data From Materials Project: {formula:Li2BSeO4,spaceGroup:P2_1/c,id:mp-770832} |
| RD_223137263388_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-780334} |
| RD_223187642734_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:Cc,id:mp-344} |
| RD_223248024815_000 | computation | Reference Data From Materials Project: {formula:Na6Bi2B4AsO16,spaceGroup:Fd3,id:mp-780412} |
| RD_223478281256_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_224165574845_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:Cc,id:mp-769439} |
| RD_224359919429_000 | computation | Reference Data From Materials Project: {formula:BaBiBS4,spaceGroup:C2/m,id:mp-861618} |
| RD_224533531793_000 | computation | Reference Data From Materials Project: {formula:Li2Ni3(BO3)3,spaceGroup:P1,id:mp-763226} |
| RD_224890725304_000 | computation | Reference Data From Materials Project: {formula:ScB2C,spaceGroup:P4_2/mbc,id:mp-8597} |
| RD_224922204431_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P4_2/mnm,id:mp-13151} |
| RD_225102483294_000 | computation | Reference Data From Materials Project: {formula:Li2NiBO4,spaceGroup:C222_1,id:mp-769685} |
| RD_225177511164_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P1,id:mp-779993} |
| RD_225423019507_000 | computation | Reference Data From Materials Project: {formula:Ba3Ti3(BO6)2,spaceGroup:P-62m,id:mp-11772} |
| RD_225504198105_000 | computation | Reference Data From Materials Project: {formula:BNCl2,spaceGroup:R3,id:mp-23045} |
| RD_225572250790_000 | computation | Reference Data From Materials Project: {formula:Dy3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-758934} |
| RD_225716606441_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P-1,id:mp-781694} |
| RD_226175443245_000 | computation | Reference Data From Materials Project: {formula:ReB2,spaceGroup:P6_3/mmc,id:mp-1773} |
| RD_226507766997_000 | computation | Reference Data From Materials Project: {formula:Al(Ni10B7)2,spaceGroup:Fm-3m,id:mp-505473} |
| RD_226724461599_000 | computation | Reference Data From Materials Project: {formula:Co21(B3Mo)2,spaceGroup:Fm-3m,id:mp-542728} |
| RD_227283280388_000 | computation | Reference Data From Materials Project: {formula:Dy(FeB)2,spaceGroup:I4/mmm,id:mp-568725} |
| RD_227326438820_000 | computation | Reference Data From Materials Project: {formula:Ba2B4Se13,spaceGroup:P2_1/c,id:mp-30105} |
| RD_227754392467_000 | computation | Reference Data From Materials Project: {formula:Ba(Ni2B)6,spaceGroup:R-3m,id:mp-17236} |
| RD_228176445768_000 | computation | Reference Data From Materials Project: {formula:Ti2ReB2,spaceGroup:P4/mbm,id:mp-10136} |
| RD_228565610713_000 | computation | Reference Data From Materials Project: {formula:CsNaB4H12O13,spaceGroup:P2_1/c,id:mp-542533} |
| RD_229295521012_000 | computation | Reference Data From Materials Project: {formula:Nd(Fe2B)6,spaceGroup:R-3m,id:mp-641957} |
| RD_229346922263_000 | computation | Reference Data From Materials Project: {formula:Y4BBr6,spaceGroup:C2/c,id:mp-29485} |
| RD_229360748959_000 | computation | Reference Data From Materials Project: {formula:Mn2AlB2,spaceGroup:Cmmm,id:mp-7892} |
| RD_229509441570_000 | computation | Reference Data From Materials Project: {formula:Dy3Ni13B2,spaceGroup:P6/mmm,id:mp-542729} |
| RD_229710191983_000 | computation | Reference Data From Materials Project: {formula:Na6Co2B4SO16,spaceGroup:Fd3,id:mp-851008} |
| RD_230089750722_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:P2_1/c,id:mp-761292} |
| RD_230101985020_000 | computation | Reference Data From Materials Project: {formula:B10H13,spaceGroup:Pbca,id:mp-776402} |
| RD_230107834572_000 | computation | Reference Data From Materials Project: {formula:K8Zr6BBr20,spaceGroup:Fm-3m,id:mp-866664} |
| RD_230125435716_000 | computation | Reference Data From Materials Project: {formula:BH4NF4,spaceGroup:Pbnm,id:mp-720391} |
| RD_230807782682_000 | computation | Reference Data From Materials Project: {formula:Li3Fe(BO3)2,spaceGroup:P2_1/c,id:mp-779306} |
| RD_230815988149_000 | computation | Reference Data From Materials Project: {formula:MnBPbO4,spaceGroup:Pmnb,id:mp-25698} |
| RD_230908219865_000 | computation | Reference Data From Materials Project: {formula:BTe3(OF5)3,spaceGroup:P6_3/m,id:mp-561226} |
| RD_231012406551_000 | computation | Reference Data From Materials Project: {formula:Cs2Na2B10O17,spaceGroup:C2/c,id:mp-559557} |
| RD_231122176385_000 | experiment | Experimental data collected from reference material at the University of Minnesota. Original source needs to be checked to verify ensemble and error values. |
| RD_232228877235_000 | computation | Reference Data From Materials Project: {formula:BaLi(B3O5)3,spaceGroup:R-3c,id:mp-558890} |
| RD_232383434197_000 | computation | Reference Data From Materials Project: {formula:CsBa(BO2)3,spaceGroup:P321,id:mp-556936} |
| RD_232664996248_000 | computation | Reference Data From Materials Project: {formula:Ba2B2O5,spaceGroup:P2_1/c,id:mp-768345} |
| RD_233004412405_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-781617} |
| RD_233504430746_000 | computation | Reference Data From Materials Project: {formula:Li3Ni(BO2)5,spaceGroup:P-1,id:mp-771081} |
| RD_233548836579_000 | computation | Reference Data From Materials Project: {formula:Li3Co(BO3)2,spaceGroup:P-1,id:mp-778571} |
| RD_234035368855_000 | computation | Reference Data From Materials Project: {formula:CeZn(BO2)5,spaceGroup:P2_1/c,id:mp-21667} |
| RD_234244172765_000 | computation | Reference Data From Materials Project: {formula:CeCo3B2,spaceGroup:P6/mmm,id:mp-4454} |
| RD_234656566772_000 | computation | Reference Data From Materials Project: {formula:Cs2Li3(BO2)5,spaceGroup:C222_1,id:mp-966802} |
| RD_234665766981_000 | computation | Reference Data From Materials Project: {formula:Mn4Si4SnB2(HO9)2,spaceGroup:P-1,id:mp-743890} |
| RD_234673327586_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P1,id:mp-779099} |
| RD_234818293423_000 | computation | Reference Data From Materials Project: {formula:PmB3,spaceGroup:P6_3/mmc,id:mp-862984} |
| RD_234942431889_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764815} |
| RD_235040437801_000 | computation | Reference Data From Materials Project: {formula:Na3V(BO3)2,spaceGroup:P2_1/c,id:mp-773603} |
| RD_235278944034_000 | computation | Reference Data From Materials Project: {formula:Yb3Ni7B2,spaceGroup:P6_3/mmc,id:mp-570788} |
| RD_235317866203_000 | computation | Reference Data From Materials Project: {formula:KSrB5O9,spaceGroup:P2_1/c,id:mp-556250} |
| RD_235832320415_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-775378} |
| RD_236128451662_000 | computation | Reference Data From Materials Project: {formula:GdNi2B2C,spaceGroup:I4/mmm,id:mp-20728} |
| RD_236737973849_000 | computation | Reference Data From Materials Project: {formula:Cr2B2Ir,spaceGroup:Cmcm,id:mp-569911} |
| RD_237116114063_000 | computation | Reference Data From Materials Project: {formula:Tb2Cu(BO2)8,spaceGroup:P2_1/c,id:mp-559927} |
| RD_237118538727_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:Cc,id:mp-762245} |
| RD_237317556897_000 | computation | Reference Data From Materials Project: {formula:Li6Ho(BO3)3,spaceGroup:P2_1/c,id:mp-12160} |
| RD_237511133328_000 | computation | Reference Data From Materials Project: {formula:BeReB,spaceGroup:F-43m,id:mp-631537} |
| RD_237603430123_000 | computation | Reference Data From Materials Project: {formula:Na3BSbPO7,spaceGroup:P2_1/m,id:mp-768556} |
| RD_237666342438_000 | computation | Reference Data From Materials Project: {formula:K3Nb3(BO6)2,spaceGroup:P31m,id:mp-558828} |
| RD_238359797773_000 | computation | Reference Data From Materials Project: {formula:HoB2Ru3,spaceGroup:P6/mmm,id:mp-2985} |
| RD_238986148390_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764591} |
| RD_239564212978_000 | computation | Reference Data From Materials Project: {formula:Li3CoSiBO7,spaceGroup:P2_1/m,id:mp-771492} |
| RD_239576479478_000 | computation | Reference Data From Materials Project: {formula:Na3NiBSO7,spaceGroup:P2_1/m,id:mp-771483} |
| RD_239839803460_000 | computation | Reference Data From Materials Project: {formula:BRh,spaceGroup:P6_3/mmc,id:mp-567164} |
| RD_240603362139_000 | computation | Reference Data From Materials Project: {formula:TaB2,spaceGroup:P6/mmm,id:mp-1108} |
| RD_240700092461_000 | computation | Reference Data From Materials Project: {formula:CaBeB2O5,spaceGroup:P2_1/c,id:mp-554315} |
| RD_240720536386_000 | computation | Reference Data From Materials Project: {formula:Sr2Cu(BO3)2,spaceGroup:Pnma,id:mp-560425} |
| RD_240884440917_000 | computation | Reference Data From Materials Project: {formula:HoB6,spaceGroup:Pm-3m,id:mp-571491} |
| RD_241381019429_000 | computation | Reference Data From Materials Project: {formula:BMo,spaceGroup:I4_1/amd,id:mp-1890} |
| RD_241584099267_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P-1,id:mp-780019} |
| RD_241892998334_000 | computation | Reference Data From Materials Project: {formula:Ce2(Ni7B2)3,spaceGroup:Fm-3m,id:mp-541851} |
| RD_241898764000_000 | computation | Reference Data From Materials Project: {formula:BPBr2NCl3,spaceGroup:Cmce,id:mp-568514} |
| RD_242637848045_000 | computation | Reference Data From Materials Project: {formula:DyBRh3,spaceGroup:Pm-3m,id:mp-3183} |
| RD_242694304797_000 | computation | Reference Data From Materials Project: {formula:Ni(BMo)2,spaceGroup:Immm,id:mp-9999} |
| RD_242922155561_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764722} |
| RD_243653090618_000 | computation | Reference Data From Materials Project: {formula:Li7Fe8(BO3)8,spaceGroup:P1,id:mp-764896} |
| RD_243669644199_000 | computation | Reference Data From Materials Project: {formula:Li3Ti(BO3)2,spaceGroup:P-1,id:mp-770213} |
| RD_243828249910_000 | computation | Reference Data From Materials Project: {formula:K3BP2,spaceGroup:C2/c,id:mp-9664} |
| RD_243885316442_000 | computation | Reference Data From Materials Project: {formula:UB2Ru3,spaceGroup:P6/mmm,id:mp-10137} |
| RD_244084706289_000 | computation | Reference Data From Materials Project: {formula:YBC,spaceGroup:Cmmm,id:mp-15956} |
| RD_244404015767_000 | computation | Reference Data From Materials Project: {formula:Li6Mn2B4SO16,spaceGroup:Fd3,id:mp-850370} |
| RD_244634176680_000 | computation | Reference Data From Materials Project: {formula:Si2Ni6B,spaceGroup:P-62m,id:mp-4720} |
| RD_244691935784_000 | computation | Reference Data From Materials Project: {formula:TbBRh3,spaceGroup:Pm-3m,id:mp-3869} |
| RD_244822040854_000 | computation | Reference Data From Materials Project: {formula:Ca2SiB5H5O14,spaceGroup:P2_1/c,id:mp-850516} |
| RD_245859533351_000 | computation | Reference Data From Materials Project: {formula:Li4Mn3Fe(BO3)4,spaceGroup:P1,id:mp-778866} |
| RD_245975387522_000 | computation | Reference Data From Materials Project: {formula:Sc2GaB2Rh5,spaceGroup:P4/mbm,id:mp-542024} |
| RD_245992511496_000 | computation | Reference Data From Materials Project: {formula:B2Pb2S5,spaceGroup:P4_12_12,id:mp-662553} |
| RD_246033281074_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:Cm,id:mp-850773} |
| RD_246149373870_000 | computation | Reference Data From Materials Project: {formula:Li7Bi(BO4)2,spaceGroup:C2/m,id:mp-768747} |
| RD_246239517578_000 | computation | Reference Data From Materials Project: {formula:UBC,spaceGroup:Cmcm,id:mp-5816} |
| RD_246780636634_000 | computation | Reference Data From Materials Project: {formula:LiFe8(BO3)8,spaceGroup:P1,id:mp-764885} |
| RD_246887286217_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-850959} |
| RD_246978396620_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-774396} |
| RD_247019586204_000 | computation | Reference Data From Materials Project: {formula:GdB2,spaceGroup:P6/mmm,id:mp-425} |
| RD_247491859161_000 | computation | Reference Data From Materials Project: {formula:EuBO3,spaceGroup:P-1,id:mp-22030} |
| RD_247651626480_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764672} |
| RD_247962907580_000 | computation | Reference Data From Materials Project: {formula:BaB4O7,spaceGroup:P2_1/c,id:mp-27692} |
| RD_248192492951_000 | computation | Reference Data From Materials Project: {formula:CaB4O7,spaceGroup:P2_1nm,id:mp-11000} |
| RD_248270651180_000 | computation | Reference Data From Materials Project: {formula:Er3B5O12,spaceGroup:Pncm,id:mp-560278} |
| RD_249459830473_000 | computation | Reference Data From Materials Project: {formula:Mg3B2P2(H9O10)2,spaceGroup:P-1,id:mp-707392} |
| RD_250233781323_000 | computation | Reference Data From Materials Project: {formula:SrBNO,spaceGroup:P2_1/c,id:mp-554759} |
| RD_250881400600_000 | computation | Reference Data From Materials Project: {formula:LiCrB2O5,spaceGroup:P2_1/c,id:mp-769985} |
| RD_250937330575_000 | computation | Reference Data From Materials Project: {formula:BeAlB,spaceGroup:F-43m,id:mp-4262} |
| RD_251189094328_000 | computation | Reference Data From Materials Project: {formula:LuCo3B2,spaceGroup:P6/mmm,id:mp-15709} |
| RD_251395670028_000 | computation | Reference Data From Materials Project: {formula:Eu2B5Os3,spaceGroup:C2,id:mp-582389} |
| RD_251666227288_000 | computation | Reference Data From Materials Project: {formula:Eu(BO2)2,spaceGroup:Pbna,id:mp-540879} |
| RD_252129326944_000 | computation | Reference Data From Materials Project: {formula:YB2Ru3,spaceGroup:P6/mmm,id:mp-4382} |
| RD_252833720986_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764570} |
| RD_253184008005_000 | computation | Reference Data From Materials Project: {formula:MgSn(BO3)2,spaceGroup:R-3,id:mp-11715} |
| RD_253434539955_000 | computation | Reference Data From Materials Project: {formula:ZrCo3B2,spaceGroup:P6/mmm,id:mp-10059} |
| RD_253780319013_000 | computation | Reference Data From Materials Project: {formula:PuB6,spaceGroup:Pm-3m,id:mp-505534} |
| RD_254373051385_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-850226} |
| RD_254789333100_000 | computation | Reference Data From Materials Project: {formula:Zn4B6SeO12,spaceGroup:I-43m,id:mp-14921} |
| RD_254936049271_000 | computation | Reference Data From Materials Project: {formula:AlB3H14N,spaceGroup:P2_1/c,id:mp-706662} |
| RD_255799617586_000 | computation | Reference Data From Materials Project: {formula:MgNi3B2,spaceGroup:P6_422,id:mp-571428} |
| RD_255816967961_000 | computation | Reference Data From Materials Project: {formula:Ba2Mg(BO3)2,spaceGroup:R-3m,id:mp-9259} |
| RD_256212930590_000 | computation | Reference Data From Materials Project: {formula:CaMnB2O5,spaceGroup:P2_1/c,id:mp-565633} |
| RD_256893018636_000 | computation | Reference Data From Materials Project: {formula:LiCoBO3,spaceGroup:P-6,id:mp-769824} |
| RD_257075786028_000 | computation | Reference Data From Materials Project: {formula:Ca(B3O5)2,spaceGroup:P2_1/c,id:mp-558358} |
| RD_257315685112_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_257421579066_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-853200} |
| RD_257642787102_000 | computation | Reference Data From Materials Project: {formula:Nb4B3C2,spaceGroup:Cmcm,id:mp-29980} |
| RD_257893917227_000 | computation | Reference Data From Materials Project: {formula:Li3Fe2(BO4)2,spaceGroup:Pc,id:mp-763208} |
| RD_258441073808_000 | computation | Reference Data From Materials Project: {formula:Cs(BI)6,spaceGroup:R-3,id:mp-640353} |
| RD_258638339207_000 | computation | Reference Data From Materials Project: {formula:Sr4B14O25,spaceGroup:Cmc2_1,id:mp-559330} |
| RD_258855598242_000 | computation | Reference Data From Materials Project: {formula:BP,spaceGroup:F-43m,id:mp-1479} |
| RD_258980019354_000 | computation | Reference Data From Materials Project: {formula:Rb4(BSe)9,spaceGroup:P-1,id:mp-541818} |
| RD_259148120274_000 | computation | Reference Data From Materials Project: {formula:UB12,spaceGroup:Fm-3m,id:mp-22319} |
| RD_259409382091_000 | computation | Reference Data From Materials Project: {formula:NdFe3(BO3)4,spaceGroup:R32,id:mp-18936} |
| RD_259791821932_000 | computation | Reference Data From Materials Project: {formula:Sr3(B3Rh4)2,spaceGroup:Fmmm,id:mp-568771} |
| RD_260097577323_000 | computation | Reference Data From Materials Project: {formula:Li3Co(BO2)5,spaceGroup:P-1,id:mp-770196} |
| RD_260320362376_000 | computation | Reference Data From Materials Project: {formula:LiB3H3SeO9,spaceGroup:Pbcn,id:mp-849266} |
| RD_260988386577_000 | computation | Reference Data From Materials Project: {formula:Lu5Ni19B6,spaceGroup:P6/mmm,id:mp-8531} |
| RD_261461745769_000 | computation | Reference Data From Materials Project: {formula:Li3Nd2(BO3)3,spaceGroup:P2_1/c,id:mp-15362} |
| RD_261548460585_000 | computation | Reference Data From Materials Project: {formula:Li3B2SbO6,spaceGroup:P-1,id:mp-770402} |
| RD_261591261865_000 | computation | Reference Data From Materials Project: {formula:TmB2C,spaceGroup:P4_2/mbc,id:mp-15604} |
| RD_261830284282_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P-1,id:mp-781610} |
| RD_261920099052_000 | computation | Reference Data From Materials Project: {formula:YbCo3B2,spaceGroup:P6/mmm,id:mp-10058} |
| RD_262269773268_000 | computation | Reference Data From Materials Project: {formula:BaB4O7,spaceGroup:Pbnm,id:mp-556974} |
| RD_262811098094_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-774994} |
| RD_262851782360_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-778882} |
| RD_262966962472_000 | computation | Reference Data From Materials Project: {formula:Ho5Si3B,spaceGroup:P6_3/mcm,id:mp-13235} |
| RD_263230961321_000 | computation | Reference Data From Materials Project: {formula:CrB4,spaceGroup:Immm,id:mp-27710} |
| RD_263392015913_000 | computation | Reference Data From Materials Project: {formula:NaSrBO3,spaceGroup:P2_1/c,id:mp-556695} |
| RD_263420650650_000 | computation | Reference Data From Materials Project: {formula:Li4Ca(BO3)2,spaceGroup:Pmnn,id:mp-557467} |
| RD_263838748292_000 | computation | Reference Data From Materials Project: {formula:B2Ru,spaceGroup:Pmnm,id:mp-1077} |
| RD_264028579547_000 | computation | Reference Data From Materials Project: {formula:NaB3O5,spaceGroup:P2_1/c,id:mp-557406} |
| RD_264142467431_000 | computation | Reference Data From Materials Project: {formula:Co21(SnB3)2,spaceGroup:Fm-3m,id:mp-542739} |
| RD_264172152379_000 | computation | Reference Data From Materials Project: {formula:Na2B8O13,spaceGroup:P2_1,id:mp-764966} |
| RD_264417932657_000 | computation | Reference Data From Materials Project: {formula:NaB(HO)4,spaceGroup:P2_1/c,id:mp-707419} |
| RD_264823496657_000 | computation | Reference Data From Materials Project: {formula:Li3Fe(BO3)2,spaceGroup:P2_1/c,id:mp-773213} |
| RD_265126649633_000 | computation | Reference Data From Materials Project: {formula:Tb4BBr6,spaceGroup:C2/c,id:mp-29847} |
| RD_265335616564_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_265439668746_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:P1,id:mp-850952} |
| RD_265514016504_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764512} |
| RD_265809006474_000 | computation | BN in AFLOW crystal prototype AB_hP4_194_c_b. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_265882478403_000 | computation | Reference Data From Materials Project: {formula:NdBPt2,spaceGroup:P6_222,id:mp-569341} |
| RD_266379884354_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764469} |
| RD_266410027232_000 | computation | Reference Data From Materials Project: {formula:BiBTe,spaceGroup:F-43m,id:mp-631511} |
| RD_267179337967_000 | computation | Reference Data From Materials Project: {formula:TbZn(BO2)5,spaceGroup:P2_1/c,id:mp-15520} |
| RD_267299306001_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:Pc,id:mp-775226} |
| RD_267367672172_000 | computation | Reference Data From Materials Project: {formula:Cs3B6H12S4Br,spaceGroup:P6_3mc,id:mp-695929} |
| RD_267588289601_000 | computation | Reference Data From Materials Project: {formula:Na3CuBSO7,spaceGroup:P2_1/m,id:mp-770795} |
| RD_267673577745_000 | computation | Reference Data From Materials Project: {formula:Sm(BO2)3,spaceGroup:Pmcn,id:mp-645338} |
| RD_267806275041_000 | computation | Reference Data From Materials Project: {formula:Sc3TlB,spaceGroup:Pm-3m,id:mp-10140} |
| RD_267968663197_000 | computation | Reference Data From Materials Project: {formula:Na6Mn2B4SO16,spaceGroup:Fd3,id:mp-770500} |
| RD_268077874555_000 | computation | Reference Data From Materials Project: {formula:Sr3(BS3)2,spaceGroup:C2/c,id:mp-30239} |
| RD_268156906556_000 | computation | Reference Data From Materials Project: {formula:NdCo(BO2)5,spaceGroup:P2_1/c,id:mp-19495} |
| RD_268362376581_000 | computation | Reference Data From Materials Project: {formula:Er2(NiB2)3,spaceGroup:Cmmm,id:mp-4071} |
| RD_268683651846_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-778721} |
| RD_268965912890_000 | computation | Reference Data From Materials Project: {formula:ErBO3,spaceGroup:P-1,id:mp-10791} |
| RD_269415198096_000 | computation | Reference Data From Materials Project: {formula:Li4V(BO3)2,spaceGroup:Pnnm,id:mp-778789} |
| RD_269692564240_000 | computation | Reference Data From Materials Project: {formula:BCl3,spaceGroup:P6_3/m,id:mp-23184} |
| RD_269929521200_000 | computation | Reference Data From Materials Project: {formula:PrB3,spaceGroup:P6_3/mmc,id:mp-16762} |
| RD_269963212068_000 | computation | Reference Data From Materials Project: {formula:HoBO3,spaceGroup:C2cm,id:mp-753056} |
| RD_270034336573_000 | computation | Reference Data From Materials Project: {formula:CeCo4B,spaceGroup:P6/mmm,id:mp-21878} |
| RD_270455531776_000 | computation | Reference Data From Materials Project: {formula:Ti6Si2B,spaceGroup:P-62m,id:mp-11750} |
| RD_271559903819_000 | computation | Reference Data From Materials Project: {formula:BMo2,spaceGroup:I4/mcm,id:mp-2501} |
| RD_271853108470_000 | computation | Reference Data From Materials Project: {formula:NdGa3(BO3)4,spaceGroup:R32,id:mp-561187} |
| RD_272207031250_000 | computation | Reference Data From Materials Project: {formula:Fe3BO5,spaceGroup:P2/m,id:mp-504752} |
| RD_272262583766_000 | computation | Reference Data From Materials Project: {formula:V3B2,spaceGroup:P4/mbm,id:mp-2091} |
| RD_272343453826_000 | computation | Reference Data From Materials Project: {formula:Li3Mn4(BO3)4,spaceGroup:P1,id:mp-781619} |
| RD_272383397156_000 | computation | Reference Data From Materials Project: {formula:YbB6,spaceGroup:Pm-3m,id:mp-419} |
| RD_272527425005_000 | computation | Reference Data From Materials Project: {formula:PrBPt3,spaceGroup:P4mm,id:mp-11596} |
| RD_272538702185_000 | computation | Reference Data From Materials Project: {formula:NaBS2,spaceGroup:R-3c,id:mp-15011} |
| RD_272830253618_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P-1,id:mp-850071} |
| RD_273151283531_000 | computation | Reference Data From Materials Project: {formula:NdB2Rh3,spaceGroup:P6/mmm,id:mp-3055} |
| RD_273443457957_000 | computation | Reference Data From Materials Project: {formula:La3Si2BO10,spaceGroup:Pbca,id:mp-773117} |
| RD_273471382853_000 | computation | Reference Data From Materials Project: {formula:HoCo3B2,spaceGroup:P6/mmm,id:mp-5313} |
| RD_273881187589_000 | computation | Reference Data From Materials Project: {formula:LiMn4(BO3)4,spaceGroup:P-1,id:mp-850920} |
| RD_274573271429_000 | computation | BC in AFLOW crystal prototype A13B2_hR15_166_a2h_c. Result of a density functional theory relaxation from the aflow.org repository. This is a nominally zero-stress calculation under the AFLOW standard, meaning that the maximum absolute stress component < 10 kbar. Full details of the original computation can be found in the aflow.org repository by referencing the Aflowlib Unique IDentifier (auid) listed in the content-origin field. Selected computational parameters (as defined on aflow.org/documentation) follow. {'dft_type': ['PAW_PBE'], 'ldau_type': 0} |
| RD_274684101111_000 | computation | Reference Data From Materials Project: {formula:Lu5Si3B,spaceGroup:P6_3/mcm,id:mp-13234} |
| RD_274824529533_000 | computation | Reference Data From Materials Project: {formula:Li6MnFe5(BO3)6,spaceGroup:Cm,id:mp-779213} |
| RD_275108608879_000 | computation | Reference Data From Materials Project: {formula:HfB4Ir3,spaceGroup:P6_3/m,id:mp-13861} |
| RD_275893479392_000 | computation | Reference Data From Materials Project: {formula:BF2,spaceGroup:P2_1/c,id:mp-27864} |
| RD_276130058107_000 | computation | Reference Data From Materials Project: {formula:Ti2Cu9(B3O11)2,spaceGroup:P-1,id:mp-554562} |
| RD_276627934814_000 | computation | Reference Data From Materials Project: {formula:Fe2B2O5,spaceGroup:P-1,id:mp-19333} |
| RD_276748544277_000 | computation | Reference Data From Materials Project: {formula:CdB2F8,spaceGroup:Pcab,id:mp-557364} |
| RD_277026656999_000 | computation | Reference Data From Materials Project: {formula:Pr5B2C5,spaceGroup:P4/ncc,id:mp-571510} |
| RD_277199055349_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_277597412516_000 | computation | Reference Data From Materials Project: {formula:Na2Al17Si11B7(H3O31)2,spaceGroup:P1,id:mp-534773} |
| RD_277681397199_000 | computation | Reference Data From Materials Project: {formula:LiMn3(BO3)3,spaceGroup:P1,id:mp-780900} |
| RD_278109801337_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764874} |
| RD_279511030767_000 | computation | Reference Data From Materials Project: {formula:YB4,spaceGroup:P4/mbm,id:mp-637} |
| RD_279691729563_000 | computation | Reference Data From Materials Project: {formula:NaSiBO4,spaceGroup:P2_1/c,id:mp-558181} |
| RD_280229494685_000 | computation | Reference Data From Materials Project: {formula:Er(CoB)2,spaceGroup:I4/mmm,id:mp-568509} |
| RD_280363146080_000 | computation | Reference Data From Materials Project: {formula:Yb3Ni13B2,spaceGroup:P6/mmm,id:mp-865970} |
| RD_280363911351_000 | computation | Reference Data From Materials Project: {formula:DyB6,spaceGroup:Pm-3m,id:mp-568319} |
| RD_280796724059_000 | computation | Reference Data From Materials Project: {formula:ErNi7B3,spaceGroup:I4_1/amd,id:mp-31130} |
| RD_281184846298_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-773612} |
| RD_281449026975_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_281502046092_000 | computation | Reference Data From Materials Project: {formula:Sr2B2O5,spaceGroup:P2_1/c,id:mp-5401} |
| RD_282271534731_000 | computation | Reference Data From Materials Project: {formula:ScCo3B2,spaceGroup:P6/mmm,id:mp-4938} |
| RD_282509857025_000 | computation | Reference Data From Materials Project: {formula:Tl3BSe3,spaceGroup:P2_1/m,id:mp-28490} |
| RD_282798726355_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-780292} |
| RD_283359449839_000 | computation | Reference Data From Materials Project: {formula:B3C10N3,spaceGroup:Pmmb,id:mp-642462} |
| RD_283573035954_000 | computation | Reference Data From Materials Project: {formula:Li2Mn3(BO3)3,spaceGroup:Cm,id:mp-849554} |
| RD_283716905303_000 | computation | Reference Data From Materials Project: {formula:Pr4B10O21,spaceGroup:P2_1/c,id:mp-559104} |
| RD_284895934787_000 | computation | Reference Data From Materials Project: {formula:Ba(BO2)2,spaceGroup:R3c,id:mp-5730} |
| RD_284994382966_000 | computation | Reference Data From Materials Project: {formula:Zn4B6O13,spaceGroup:I-43m,id:mp-4812} |
| RD_285003330912_000 | computation | Reference Data From Materials Project: {formula:NaB9Se8,spaceGroup:P-3,id:mp-640950} |
| RD_285034482332_000 | computation | Reference Data From Materials Project: {formula:BH10C2N5O3,spaceGroup:P2_12_12_1,id:mp-734069} |
| RD_285150124411_000 | computation | Reference Data From Materials Project: {formula:Li4MnFe3(BO3)4,spaceGroup:P1,id:mp-773551} |
| RD_285282152485_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P1,id:mp-778350} |
| RD_285631225245_000 | computation | Reference Data From Materials Project: {formula:Na3La9B8O27,spaceGroup:P-62m,id:mp-6760} |
| RD_285850091854_000 | computation | Reference Data From Materials Project: {formula:Lu2(NiB2)3,spaceGroup:Cmmm,id:mp-8771} |
| RD_285853654245_000 | computation | Reference Data From Materials Project: {formula:YB2Pd7,spaceGroup:Fm-3m,id:mp-13560} |
| RD_286544554949_000 | computation | Reference Data From Materials Project: {formula:AlBO3,spaceGroup:R-3c,id:mp-8110} |
| RD_286719581995_000 | computation | Reference Data From Materials Project: {formula:KLi2BO3,spaceGroup:Pmcn,id:mp-558628} |
| RD_286864871591_000 | computation | Reference Data From Materials Project: {formula:GdCoB4,spaceGroup:Pmcb,id:mp-21230} |
| RD_286876357331_000 | computation | Reference Data From Materials Project: {formula:SmBRh3,spaceGroup:Pm-3m,id:mp-4982} |
| RD_287406369403_000 | computation | Reference Data From Materials Project: {formula:LiFe4(BO3)4,spaceGroup:P1,id:mp-764620} |
| RD_287795971756_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:P-1,id:mp-778597} |
| RD_287827056643_000 | computation | Reference Data From Materials Project: {formula:Na3BS3,spaceGroup:C2/c,id:mp-29976} |
| RD_288218085881_000 | computation | Reference Data From Materials Project: {formula:Ce(BO2)3,spaceGroup:C2/c,id:mp-20376} |
| RD_288403864677_000 | computation | Reference Data From Materials Project: {formula:LaB2Ir2C,spaceGroup:I4/mmm,id:mp-5992} |
| RD_288428012523_000 | computation | Reference Data From Materials Project: {formula:CaAl2B2O7,spaceGroup:R-3c,id:mp-557689} |
| RD_288933242197_000 | computation | Reference Data From Materials Project: {formula:Nd5(FeB3)2,spaceGroup:R-3m,id:mp-8793} |
| RD_289509627290_000 | computation | Reference Data From Materials Project: {formula:Ba7(BIr)12,spaceGroup:R-3m,id:mp-27261} |
| RD_290236436614_000 | computation | Reference Data From Materials Project: {formula:Hf9BMo4,spaceGroup:P6_3/mmc,id:mp-18024} |
| RD_290434713459_000 | computation | Reference Data From Materials Project: {formula:Al(BH4)3,spaceGroup:P2_1cn,id:mp-569787} |
| RD_290531562810_000 | computation | Reference Data From Materials Project: {formula:HoB4,spaceGroup:P4/mbm,id:mp-569281} |
| RD_291073934731_000 | computation | Reference Data From Materials Project: {formula:Y(BO2)3,spaceGroup:Pca2_1,id:mp-768887} |
| RD_291133683968_000 | computation | Reference Data From Materials Project: {formula:TlBSe3,spaceGroup:Cc,id:mp-29959} |
| RD_291198330257_000 | computation | Reference Data From Materials Project: {formula:BSBr,spaceGroup:P2_1/c,id:mp-555279} |
| RD_291369473505_000 | computation | Reference Data From Materials Project: {formula:ScB2,spaceGroup:P6/mmm,id:mp-2252} |
| RD_291911920467_000 | computation | Reference Data From Materials Project: {formula:B3Ru7,spaceGroup:P6_3mc,id:mp-17535} |
| RD_293568127487_000 | computation | Reference Data From Materials Project: {formula:NaVBP2H3O10,spaceGroup:C2/c,id:mp-542218} |
| RD_293631617510_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-850256} |
| RD_293745769759_000 | computation | Reference Data From Materials Project: {formula:V5(BO5)2,spaceGroup:Pbam,id:mp-772349} |
| RD_293955939320_000 | computation | Reference Data From Materials Project: {formula:PrB2Ir3,spaceGroup:P6/mmm,id:mp-11594} |
| RD_294341778507_000 | computation | Reference Data From Materials Project: {formula:YReB4,spaceGroup:Pbam,id:mp-865727} |
| RD_295213061213_000 | computation | Reference Data From Materials Project: {formula:La3B5O12,spaceGroup:Pnma,id:mp-779571} |
| RD_295656535903_000 | computation | Reference Data From Materials Project: {formula:Mg3(BO3)2,spaceGroup:Pnnm,id:mp-5005} |
| RD_295993256375_000 | computation | Reference Data From Materials Project: {formula:LiCa4(BN2)3,spaceGroup:Im-3m,id:mp-6799} |
| RD_296214198134_000 | computation | Reference Data From Materials Project: {formula:Nd3Co13B2,spaceGroup:P6/mmm,id:mp-4603} |
| RD_297136115493_000 | computation | Reference Data From Materials Project: {formula:B8O,spaceGroup:P2_1/m,id:mp-530033} |
| RD_297287263631_000 | computation | Reference Data From Materials Project: {formula:ReB3,spaceGroup:P6_3/mmc,id:mp-7839} |
| RD_297662085379_000 | computation | Reference Data From Materials Project: {formula:Li3Mn2Fe(BO3)3,spaceGroup:Pm,id:mp-780294} |
| RD_297847183364_000 | computation | Reference Data From Materials Project: {formula:LiMnBO3,spaceGroup:P-6,id:mp-769721} |
| RD_298059024166_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-850471} |
| RD_299104575989_000 | computation | Reference Data From Materials Project: {formula:Li4Fe3(BO3)4,spaceGroup:Pc,id:mp-767682} |
| RD_299138446026_000 | computation | Reference Data From Materials Project: {formula:Pr7BP2O17,spaceGroup:P2_1/c,id:mp-554964} |
| RD_299677575251_000 | computation | Reference Data From Materials Project: {formula:Pr3Co29(Si2B5)2,spaceGroup:P4/nmm,id:mp-16084} |
| RD_299694376042_000 | computation | Reference Data From Materials Project: {formula:BH2OF3,spaceGroup:P2_1/c,id:mp-707009} |
| RD_299822691410_000 | computation | Reference Data From Materials Project: {formula:Ho3CrB7,spaceGroup:Cmcm,id:mp-31046} |
| RD_300277774687_000 | computation | Reference Data From Materials Project: {formula:BaLaCuBO5,spaceGroup:P4bm,id:mp-14970} |
| RD_301202120245_000 | computation | Reference Data From Materials Project: {formula:Mg3(Ni10B3)2,spaceGroup:Fm-3m,id:mp-10117} |
| RD_301285145820_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764624} |
| RD_301304406992_000 | computation | Reference Data From Materials Project: {formula:NaSr4(BO3)3,spaceGroup:Ia-3d,id:mp-560768} |
| RD_302082644879_000 | computation | Reference Data From Materials Project: {formula:DyB2C,spaceGroup:P4_2/mbc,id:mp-15644} |
| RD_302987686596_000 | computation | Reference Data From Materials Project: {formula:Li3V(BO3)2,spaceGroup:P2_1/c,id:mp-772628} |
| RD_303334868427_000 | computation | Reference Data From Materials Project: {formula:YbBO3,spaceGroup:P6_3/mcm,id:mp-14237} |
| RD_303602284758_000 | computation | Reference Data From Materials Project: {formula:Ba3BAsO3,spaceGroup:P6_3/mmc,id:mp-9793} |
| RD_303650118368_000 | computation | Reference Data From Materials Project: {formula:BiB2O4F,spaceGroup:P3_2,id:mp-558753} |
| RD_303906172755_000 | computation | Reference Data From Materials Project: {formula:Mg3B(OF)3,spaceGroup:P6_3/m,id:mp-554542} |
| RD_304805431160_000 | computation | Reference Data From Materials Project: {formula:LaBPt2,spaceGroup:P6_222,id:mp-31052} |
| RD_304821008673_000 | computation | Reference Data From Materials Project: {formula:ZnB3Ir4,spaceGroup:Pmmm,id:mp-579677} |
| RD_305002586965_000 | computation | Reference Data From Materials Project: {formula:Fe23B6,spaceGroup:Fm-3m,id:mp-542758} |
| RD_305101144797_000 | computation | Reference Data From Materials Project: {formula:Li8Mn7Fe(BO3)8,spaceGroup:P1,id:mp-780298} |
| RD_305237397425_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764598} |
| RD_305336897751_000 | computation | Reference Data From Materials Project: {formula:CuB(CN)4,spaceGroup:P-43m,id:mp-13589} |
| RD_305553722190_000 | computation | Reference Data From Materials Project: {formula:NiBTe,spaceGroup:F-43m,id:mp-631540} |
| RD_305995650554_000 | computation | Reference Data From Materials Project: {formula:Na2B4H20O17,spaceGroup:C2/c,id:mp-707151} |
| RD_306136807764_000 | computation | Reference Data From Materials Project: {formula:LiMnBO3,spaceGroup:P2_1/c,id:mp-769942} |
| RD_306559563439_000 | computation | Reference Data From Materials Project: {formula:Lu4(B2O5)3,spaceGroup:C2/c,id:mp-771772} |
| RD_306598444373_000 | computation | Reference Data From Materials Project: {formula:In2GeB,spaceGroup:Fm-3m,id:mp-631527} |
| RD_306868416493_000 | computation | Reference Data From Materials Project: {formula:Li5Mn6(BO3)6,spaceGroup:P1,id:mp-780308} |
| RD_306870544280_000 | computation | Reference Data From Materials Project: {formula:Na2MnBSO7,spaceGroup:P2_1/m,id:mp-771504} |
| RD_306966211221_000 | computation | Reference Data From Materials Project: {formula:PrB2Ru3,spaceGroup:P6/mmm,id:mp-5939} |
| RD_306971824342_000 | computation | Reference Data From Materials Project: {formula:Li5Fe8(BO3)8,spaceGroup:P1,id:mp-764541} |
| RD_307338295986_000 | computation | Reference Data From Materials Project: {formula:B2Au,spaceGroup:P6/mmm,id:mp-10681} |
| RD_307465343628_000 | computation | Reference Data From Materials Project: {formula:SrZr12B2I5Cl23,spaceGroup:Pc,id:mp-677002} |
| RD_307817247192_000 | computation | Reference Data From Materials Project: {formula:CrB,spaceGroup:Cmcm,id:mp-260} |
| RD_307933601785_000 | computation | Reference Data From Materials Project: {formula:YCo4B,spaceGroup:P6/mmm,id:mp-10463} |
| RD_308349534034_000 | computation | Reference Data From Materials Project: {formula:Zr2(Co7B2)3,spaceGroup:Fm-3m,id:mp-541854} |
| RD_308426145230_000 | computation | Reference Data From Materials Project: {formula:Li3MnB6O13,spaceGroup:P2_12_12_1,id:mp-779068} |
| RD_309032126942_000 | computation | Reference Data From Materials Project: {formula:Li3Fe8(BO3)8,spaceGroup:P1,id:mp-764546} |
| RD_309101316977_000 | computation | Reference Data From Materials Project: {formula:Li2Al(BO2)5,spaceGroup:P2_1/c,id:mp-557177} |
| RD_309566662310_000 | computation | Reference Data From Materials Project: {formula:Li8Mn3Fe5(BO3)8,spaceGroup:P1,id:mp-778626} |
| RD_309679617034_000 | computation | Reference Data From Materials Project: {formula:PrBC,spaceGroup:P2_12_12_1,id:mp-570767} |
| RD_310253813381_000 | computation | Reference Data From Materials Project: {formula:LiMn2(BO3)2,spaceGroup:P1,id:mp-849341} |
| RD_310344198906_000 | computation | Reference Data From Materials Project: {formula:LaReB,spaceGroup:F-43m,id:mp-631508} |
| RD_311545714381_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_311603325878_000 | computation | Reference Data From Materials Project: {formula:Nd5(FeB)18,spaceGroup:Pccn,id:mp-650968} |
| RD_311851946885_000 | computation | Reference Data From Materials Project: {formula:Li8Mn5Fe3(BO3)8,spaceGroup:P1,id:mp-779395} |
| RD_311861539769_000 | computation | Reference Data From Materials Project: {formula:Sc3InB,spaceGroup:Pm-3m,id:mp-19726} |
| RD_311961730170_000 | computation | Reference Data From Materials Project: {formula:VB2,spaceGroup:P6/mmm,id:mp-1491} |
| RD_312163383388_000 | computation | Reference Data From Materials Project: {formula:CsBO2,spaceGroup:R-3c,id:mp-561725} |
| RD_312170204562_000 | computation | Reference Data From Materials Project: {formula:Na2AlB(As2O7)2,spaceGroup:P2_1/c,id:mp-556195} |
| RD_312353336198_000 | computation | Reference Data From Materials Project: {formula:LiFe2(BO3)2,spaceGroup:P1,id:mp-764519} |
| RD_313167827768_000 | computation | Reference Data From Materials Project: {formula:Li7Fe8(BO3)8,spaceGroup:P1,id:mp-850450} |
| RD_313334020287_000 | computation | Reference Data From Materials Project: {formula:Li2FeBO4,spaceGroup:Pca2_1,id:mp-777908} |
| RD_313428726398_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:Pm,id:mp-780483} |
| RD_313907707459_000 | computation | Reference Data From Materials Project: {formula:EuCd(BO2)5,spaceGroup:P2_1/c,id:mp-541157} |
| RD_314084675390_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:P6_3/mmc,id:mp-629015} |
| RD_314429718406_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_314804221377_000 | computation | Reference Data From Materials Project: {formula:La2B4O9,spaceGroup:P-1,id:mp-752449} |
| RD_315024338616_000 | computation | Reference Data From Materials Project: {formula:Li3Fe4(BO3)4,spaceGroup:P1,id:mp-764502} |
| RD_315025050858_000 | computation | Reference Data From Materials Project: {formula:Bi4(BO4)3,spaceGroup:Pc,id:mp-769061} |
| RD_315442386165_000 | computation | Reference Data From Materials Project: {formula:Na3CrBPO7,spaceGroup:P2_1/m,id:mp-771752} |
| RD_315812000915_000 | computation | Reference Data From Materials Project: {formula:Li3MnSiBO7,spaceGroup:P2_1/m,id:mp-771859} |
| RD_316333641262_000 | computation | Reference Data From Materials Project: {formula:Sr2BIN2,spaceGroup:P2_1/m,id:mp-569810} |
| RD_316707535789_000 | computation | Reference Data From Materials Project: {formula:Ho5Si3B,spaceGroup:P6_3/mcm,id:mp-13235} |
| RD_317476634827_000 | computation | Reference Data From Materials Project: {formula:BN,spaceGroup:F-43m,id:mp-1639} |
| RD_318156722618_000 | computation | Reference Data From Materials Project: {formula:BaBSbS4,spaceGroup:Pnma,id:mp-866301} |
| RD_318177885745_000 | computation | Reference Data From Materials Project: {formula:PuB4,spaceGroup:P4/mbm,id:mp-20467} |
| RD_318384907284_000 | computation | Reference Data From Materials Project: {formula:Fe2B4Mo,spaceGroup:Immm,id:mp-15722} |
| RD_318505786272_000 | computation | Reference Data From Materials Project: {formula:Li3B2SbO6,spaceGroup:P2_1/c,id:mp-770290} |
| RD_318563308573_000 | computation | Reference Data From Materials Project: {formula:Li2CoBO4,spaceGroup:Pmnb,id:mp-771049} |
| RD_318717300301_000 | computation | Reference Data From Materials Project: {formula:Ho2Cu(B2O5)2,spaceGroup:P2_1/c,id:mp-18259} |
| RD_318736737934_000 | computation | Reference Data From Materials Project: {formula:Li2Ti(BO3)2,spaceGroup:P2_1/c,id:mp-759926} |
| RD_319238841366_000 | computation | Reference Data From Materials Project: {formula:UB12,spaceGroup:Fm-3m,id:mp-22319} |
| RD_319289336078_000 | computation | Reference Data From Materials Project: {formula:Li2MnFe(BO3)2,spaceGroup:Pm,id:mp-779272} |
| RD_319657445611_000 | computation | Reference Data From Materials Project: {formula:CoBW,spaceGroup:Pmnb,id:mp-22759} |
| RD_319944801394_000 | computation | Reference Data From Materials Project: {formula:UCo3B2,spaceGroup:P6/mmm,id:mp-10056} |