material_id stringlengths 6 10 | formula_pretty stringlengths 3 24 | n_elements int64 2 8 | contains_transition_metal bool 2
classes | formation_energy_per_atom float64 -2.33 7.95 | energy_per_atom float64 -16.62 2.06 | band_gap float64 -0.87 5.03 | is_semiconductor bool 2
classes | density float64 -2.48 10.3 | volume float64 -1.19 19.9 | elements stringlengths 11 46 |
|---|---|---|---|---|---|---|---|---|---|---|
mp-1040079 | LiMg30CrO32 | 4 | false | -1.124175 | 0.250287 | 1.704957 | true | -0.164242 | 0.540504 | ['Cr', 'Li', 'Mg', 'O'] |
mp-1040126 | LiLaMg30O32 | 4 | false | -1.130325 | 0.270049 | 1.843017 | true | -0.093708 | 0.603995 | ['La', 'Li', 'Mg', 'O'] |
mp-1040095 | LiMg30WO32 | 4 | false | -1.077647 | 0.247573 | 1.309126 | true | 0.042717 | 0.562001 | ['Li', 'Mg', 'O', 'W'] |
mp-1040157 | LiMg30SiO32 | 4 | false | -1.093965 | 0.27742 | -0.868213 | false | -0.222434 | 0.552223 | ['Li', 'Mg', 'O', 'Si'] |
mp-1040099 | LiMg30BO32 | 4 | false | -1.08163 | 0.274988 | 2.009041 | true | -0.230635 | 0.534345 | ['B', 'Li', 'Mg', 'O'] |
mp-1040138 | LiMg30SiO32 | 4 | false | -1.087407 | 0.27915 | -0.868213 | false | -0.132751 | 0.484655 | ['Li', 'Mg', 'O', 'Si'] |
mp-1040140 | LiLaMg30O32 | 4 | false | -1.132067 | 0.26959 | 1.995905 | true | -0.097939 | 0.607228 | ['La', 'Li', 'Mg', 'O'] |
mp-1040143 | LiCeMg30O32 | 4 | false | -1.133305 | 0.264726 | -0.868213 | false | -0.092334 | 0.604554 | ['Ce', 'Li', 'Mg', 'O'] |
mp-1040156 | LiCeMg30O32 | 4 | false | -1.131937 | 0.265086 | -0.868213 | false | -0.091987 | 0.60429 | ['Ce', 'Li', 'Mg', 'O'] |
mp-1040094 | LiMg30CrO32 | 4 | false | -1.119439 | 0.251536 | 1.592153 | true | -0.165685 | 0.5416 | ['Cr', 'Li', 'Mg', 'O'] |
mp-1040135 | LiMg30BO32 | 4 | false | -1.058078 | 0.281199 | 1.981889 | true | -0.211084 | 0.519265 | ['B', 'Li', 'Mg', 'O'] |
mp-1040361 | LiMg30TiO32 | 4 | false | -1.148327 | 0.251885 | -0.709908 | false | -0.177375 | 0.544841 | ['Li', 'Mg', 'O', 'Ti'] |
mp-1095705 | LiMg30TiO32 | 4 | false | -1.152926 | 0.250672 | -0.552686 | false | -0.179198 | 0.546237 | ['Li', 'Mg', 'O', 'Ti'] |
mp-1147631 | LiCuOF | 4 | false | 0.04619 | 0.61739 | -0.868213 | false | 0.496116 | -1.125545 | ['Cu', 'F', 'Li', 'O'] |
mp-1235721 | LiRuPbO3 | 4 | false | 0.980202 | 0.359104 | -0.868213 | false | 2.447711 | -1.003079 | ['Li', 'O', 'Pb', 'Ru'] |
mp-1235313 | SrLiAlO3 | 4 | false | -0.819467 | 0.249536 | 1.357132 | true | 0.246469 | -1.040768 | ['Al', 'Li', 'O', 'Sr'] |
mp-1235834 | LiEuTcO3 | 4 | false | 0.237274 | -0.207332 | -0.868213 | false | 1.5325 | -0.996129 | ['Eu', 'Li', 'O', 'Tc'] |
mp-1235575 | BaLiZrO3 | 4 | false | -0.637494 | 0.054351 | -0.868213 | false | 1.059997 | -0.983336 | ['Ba', 'Li', 'O', 'Zr'] |
mp-1236215 | CsLiAcO3 | 4 | false | -0.226883 | 0.425589 | -0.868213 | false | 1.335549 | -0.891993 | ['Ac', 'Cs', 'Li', 'O'] |
mp-1233003 | KLiWO3 | 4 | false | 0.306092 | 0.12801 | -0.868213 | false | 1.637886 | -1.023186 | ['K', 'Li', 'O', 'W'] |
mp-1235437 | LiFePbO3 | 4 | true | 0.649835 | 0.310875 | -0.658719 | false | 2.070525 | -1.015399 | ['Fe', 'Li', 'O', 'Pb'] |
mp-1235591 | LiYbNbO3 | 4 | false | 0.374892 | -2.306314 | -0.868213 | false | 1.836683 | -1.001271 | ['Li', 'Nb', 'O', 'Yb'] |
mp-1517740 | LiSm(FeO3)4 | 4 | true | 0.654864 | 0.101414 | -0.868213 | false | 0.371909 | -0.600466 | ['Fe', 'Li', 'O', 'Sm'] |
mp-1517398 | LiNdMn4O12 | 4 | true | 0.363223 | -0.020917 | -0.868213 | false | 0.337244 | -0.603684 | ['Li', 'Mn', 'Nd', 'O'] |
mp-1519505 | LiNdTi4O12 | 4 | false | -1.001479 | -0.299166 | -0.868213 | false | 0.043095 | -0.566113 | ['Li', 'Nd', 'O', 'Ti'] |
mp-1519840 | LiPr(GeO3)4 | 4 | false | 0.145195 | 0.213804 | -0.868213 | false | 0.774937 | -0.622332 | ['Ge', 'Li', 'O', 'Pr'] |
mp-1520473 | LiPrMn4O12 | 4 | true | 0.368382 | -0.019997 | -0.868213 | false | 0.307678 | -0.600822 | ['Li', 'Mn', 'O', 'Pr'] |
mp-1520442 | LiNd(FeO3)4 | 4 | true | 0.654785 | 0.100594 | -0.868213 | false | 0.317111 | -0.595047 | ['Fe', 'Li', 'Nd', 'O'] |
mp-1521873 | KLi(WO3)4 | 4 | false | -0.20621 | -0.357233 | -0.868213 | false | 1.981673 | -0.542789 | ['K', 'Li', 'O', 'W'] |
mp-1522963 | KLiNb4O12 | 4 | false | -0.7476 | -0.315813 | -0.868213 | false | 0.123786 | -0.495308 | ['K', 'Li', 'Nb', 'O'] |
mp-775122 | LiLaNb4O12 | 4 | false | -1.243786 | -0.508 | 0.16551 | true | 0.591731 | -0.504151 | ['La', 'Li', 'Nb', 'O'] |
mp-753465 | LiNi5O5F | 4 | true | 0.540305 | 0.291846 | 0.781194 | true | 1.438786 | -0.913593 | ['F', 'Li', 'Ni', 'O'] |
mp-759179 | LiNiOF | 4 | true | -0.18901 | 0.433432 | 0.729464 | true | 0.531174 | -0.919592 | ['F', 'Li', 'Ni', 'O'] |
mp-775022 | LiFeOF | 4 | true | -0.285866 | 0.212772 | -0.868213 | false | 0.179093 | -1.004761 | ['F', 'Fe', 'Li', 'O'] |
mp-758954 | LiNi3O3F | 4 | true | 0.373203 | 0.331258 | 0.726688 | true | 1.200365 | -1.021926 | ['F', 'Li', 'Ni', 'O'] |
mp-2897115 | LiZr5TlF22 | 4 | false | -2.068117 | -1.388754 | 2.933819 | true | 0.719228 | 0.91904 | ['F', 'Li', 'Tl', 'Zr'] |
mp-756581 | LiNdTi2O6 | 4 | false | -1.567646 | -0.387967 | 0.812408 | true | 0.802509 | -0.573767 | ['Li', 'Nd', 'O', 'Ti'] |
mp-1104693 | LiCa2HC3 | 4 | false | 1.869842 | 0.498195 | 0.011471 | true | -0.939123 | -0.730833 | ['C', 'Ca', 'H', 'Li'] |
mp-1208808 | Sr2LiTeO6 | 4 | false | -0.46379 | 0.310257 | -0.868213 | false | 0.950944 | -0.485697 | ['Li', 'O', 'Sr', 'Te'] |
mp-10520 | LiNdTiO4 | 4 | false | -1.587774 | -0.304379 | 0.67726 | true | 0.885629 | -0.740983 | ['Li', 'Nd', 'O', 'Ti'] |
mp-1147633 | LiCu2BiO4 | 4 | false | 0.645107 | 0.483405 | -0.868213 | false | 1.889802 | -0.644493 | ['Bi', 'Cu', 'Li', 'O'] |
mp-1147554 | LiLaSO | 4 | false | -0.885759 | 0.149551 | 1.276287 | true | 0.524971 | -0.828088 | ['La', 'Li', 'O', 'S'] |
mp-559893 | LiBi(PdO2)2 | 4 | false | 0.649348 | 0.406135 | -0.566228 | false | 2.508536 | -0.608051 | ['Bi', 'Li', 'O', 'Pd'] |
mp-6521 | LiLaTiO4 | 4 | false | -1.625814 | -0.321369 | 0.66453 | true | 0.74084 | -0.729369 | ['La', 'Li', 'O', 'Ti'] |
mp-753331 | LiNi2O2F | 4 | true | 0.174462 | 0.362326 | 0.756345 | true | 1.022534 | -0.919626 | ['F', 'Li', 'Ni', 'O'] |
mp-760241 | LiCoOF | 4 | true | -0.079608 | 0.364122 | -0.868213 | false | 0.450755 | -0.800826 | ['Co', 'F', 'Li', 'O'] |
mp-753559 | LiNiOF | 4 | true | -0.195719 | 0.431663 | 0.750183 | true | 0.558388 | -0.817174 | ['F', 'Li', 'Ni', 'O'] |
mp-1101601 | LiV2(PO4)3 | 4 | false | -0.749244 | -0.201439 | 0.018242 | true | -0.536094 | 1.322679 | ['Li', 'O', 'P', 'V'] |
mp-1181309 | LiCe(C2O5)2 | 4 | false | 0.340257 | -0.080482 | -0.183804 | false | -1.011575 | 1.804625 | ['C', 'Ce', 'Li', 'O'] |
mp-1101602 | LiCr2(PO4)3 | 4 | false | -0.540726 | -0.164796 | -0.866588 | false | -0.518187 | 1.313242 | ['Cr', 'Li', 'O', 'P'] |
mp-1101524 | LiFe2(PO4)3 | 4 | true | -0.301642 | -0.063603 | -0.868213 | false | -0.568635 | 1.430476 | ['Fe', 'Li', 'O', 'P'] |
mp-1191085 | LiY(WO4)2 | 4 | false | -0.748332 | -0.445862 | 1.689451 | true | 1.779665 | -0.353214 | ['Li', 'O', 'W', 'Y'] |
mp-1190882 | LiLu(WO4)2 | 4 | false | -0.778848 | -0.405856 | 1.705296 | true | 2.568887 | -0.382011 | ['Li', 'Lu', 'O', 'W'] |
mp-1191729 | LiHo(WO4)2 | 4 | false | -0.762193 | -0.403301 | 1.698728 | true | 2.376209 | -0.361426 | ['Ho', 'Li', 'O', 'W'] |
mp-1192153 | LiDy(WO4)2 | 4 | false | -0.757661 | -0.402607 | 1.695816 | true | 2.333587 | -0.35693 | ['Dy', 'Li', 'O', 'W'] |
mp-1192111 | LiEr(WO4)2 | 4 | false | -0.765632 | -0.403484 | 1.701639 | true | 2.429972 | -0.367944 | ['Er', 'Li', 'O', 'W'] |
mp-1199613 | LiCe(C2O5)2 | 4 | false | 0.393255 | -0.066505 | -0.683027 | false | -0.792265 | 1.415941 | ['C', 'Ce', 'Li', 'O'] |
mp-1210920 | LiGd(WO4)2 | 4 | false | -0.73311 | -0.62481 | 1.400941 | true | 2.229609 | -0.344702 | ['Gd', 'Li', 'O', 'W'] |
mp-1210959 | LiGd(MoO4)2 | 4 | false | -0.572474 | -0.480291 | 1.148451 | true | 0.982347 | -0.348596 | ['Gd', 'Li', 'Mo', 'O'] |
mp-1211147 | LiPr(MoO4)2 | 4 | false | -0.552442 | -0.250611 | 1.22564 | true | 0.741642 | -0.314984 | ['Li', 'Mo', 'O', 'Pr'] |
mp-1211683 | LiSm(C2O5)2 | 4 | false | 0.391583 | -0.044852 | -0.145819 | false | -0.655283 | 1.290736 | ['C', 'Li', 'O', 'Sm'] |
mp-1211174 | LiNd(MoO4)2 | 4 | false | -0.566629 | -0.253692 | 1.229703 | true | 0.771071 | -0.316744 | ['Li', 'Mo', 'Nd', 'O'] |
mp-1212087 | LiGd(C2O5)2 | 4 | false | 0.397557 | -0.212968 | -0.096797 | false | -0.609019 | 1.275693 | ['C', 'Gd', 'Li', 'O'] |
mp-1211000 | LiSm(WO4)2 | 4 | false | -0.733373 | -0.398624 | 1.676045 | true | 2.132777 | -0.335588 | ['Li', 'O', 'Sm', 'W'] |
mp-1212253 | LiEu(MoO4)2 | 4 | false | -0.384297 | -0.339073 | -0.868213 | false | 0.834358 | -0.319366 | ['Eu', 'Li', 'Mo', 'O'] |
mp-1212166 | LiEu(WO4)2 | 4 | false | -0.545505 | -0.483743 | -0.868213 | false | 2.142343 | -0.335232 | ['Eu', 'Li', 'O', 'W'] |
mp-1211145 | LiSm(MoO4)2 | 4 | false | -0.573689 | -0.254356 | 1.207765 | true | 0.903638 | -0.341034 | ['Li', 'Mo', 'O', 'Sm'] |
mp-1211195 | LiBi(WO4)2 | 4 | false | -0.189456 | -0.235144 | 0.805434 | true | 2.483295 | -0.323619 | ['Bi', 'Li', 'O', 'W'] |
mp-1211610 | LiLa(C2O5)2 | 4 | false | 0.377928 | -0.052396 | -0.184616 | false | -0.810557 | 1.435378 | ['C', 'La', 'Li', 'O'] |
mp-1210997 | LiTm(WO4)2 | 4 | false | -0.773491 | -0.403496 | 1.687217 | true | 2.489923 | -0.37623 | ['Li', 'O', 'Tm', 'W'] |
mp-1211005 | LiTb(WO4)2 | 4 | false | -0.754468 | -0.402236 | 1.687894 | true | 2.305989 | -0.356642 | ['Li', 'O', 'Tb', 'W'] |
mp-1211846 | LiNd(C2O5)2 | 4 | false | 0.394384 | -0.045012 | -0.127266 | false | -0.727702 | 1.34947 | ['C', 'Li', 'Nd', 'O'] |
mp-17510 | LiGa(WO4)2 | 4 | false | -0.284412 | -0.239346 | 1.468176 | true | 2.161324 | -0.451882 | ['Ga', 'Li', 'O', 'W'] |
mp-6442 | LiAl(Si2O5)2 | 4 | false | -1.396998 | -0.223024 | 2.803207 | true | -0.978928 | 0.046009 | ['Al', 'Li', 'O', 'Si'] |
mp-6011 | Ba4LiMo2N7 | 4 | false | 1.08863 | -0.032001 | 0.379676 | true | 1.086458 | 1.781782 | ['Ba', 'Li', 'Mo', 'N'] |
mp-6665 | Ba4LiW2N7 | 4 | false | 1.011907 | -0.139796 | 0.520309 | true | 1.714963 | 1.866504 | ['Ba', 'Li', 'N', 'W'] |
mp-760272 | LiV(OF)2 | 4 | false | -0.783686 | 0.136838 | 0.580503 | true | -0.454366 | -0.838837 | ['F', 'Li', 'O', 'V'] |
mp-757716 | LiTi(Si2O5)2 | 4 | false | -1.286756 | -0.269205 | -0.602859 | false | -0.917124 | 0.08033 | ['Li', 'O', 'Si', 'Ti'] |
mp-758403 | LiP3W2O13 | 4 | false | -0.536567 | -0.258047 | 1.308585 | true | 0.27537 | 0.318451 | ['Li', 'O', 'P', 'W'] |
mp-765576 | LiSi4NiO10 | 4 | true | -0.890809 | -0.126422 | 0.161177 | true | -0.820031 | 0.045665 | ['Li', 'Ni', 'O', 'Si'] |
mp-857353 | LiFe(Si2O5)2 | 4 | true | -1.062956 | -0.220602 | 1.394034 | true | -0.892803 | 0.092161 | ['Fe', 'Li', 'O', 'Si'] |
mp-767402 | LiLaTi2O6 | 4 | false | -1.612592 | -0.404691 | 0.387937 | true | 0.616251 | -0.545128 | ['La', 'Li', 'O', 'Ti'] |
mp-778496 | LiFe2(ClO)2 | 4 | true | 0.395077 | 0.298239 | 0.317654 | true | -0.319735 | 0.709536 | ['Cl', 'Fe', 'Li', 'O'] |
mp-768389 | LiMn2(PO4)2 | 4 | true | -0.600867 | -0.196498 | -0.868213 | false | -0.24 | 1.364034 | ['Li', 'Mn', 'O', 'P'] |
mp-849757 | LiMn(Si2O5)2 | 4 | true | -1.05957 | -0.232257 | 0.895217 | true | -0.65015 | 1.068914 | ['Li', 'Mn', 'O', 'Si'] |
mp-757120 | LiFe(Si2O5)2 | 4 | true | -0.979755 | -0.198659 | 1.134503 | true | -0.673189 | 1.104205 | ['Fe', 'Li', 'O', 'Si'] |
mp-704184 | LiMn(PO3)4 | 4 | true | -0.529943 | -0.08573 | -0.868213 | false | -0.438044 | 1.102485 | ['Li', 'Mn', 'O', 'P'] |
mp-26856 | LiSn(PO3)4 | 4 | false | -0.538002 | -0.004801 | -0.857244 | false | -0.254678 | 1.2751 | ['Li', 'O', 'P', 'Sn'] |
mp-1211085 | LiCa2FeN2 | 4 | true | 1.375691 | 0.399242 | -0.416589 | false | -0.528067 | -0.684464 | ['Ca', 'Fe', 'Li', 'N'] |
mp-1222411 | LiCa2CuN2 | 4 | false | 1.33709 | 0.600426 | -0.164236 | false | -0.382369 | -0.699163 | ['Ca', 'Cu', 'Li', 'N'] |
mp-18422 | RbLiZn2O3 | 4 | false | 0.196799 | 0.751183 | 0.528163 | true | 0.634981 | -0.131173 | ['Li', 'O', 'Rb', 'Zn'] |
mp-569282 | LiCa10MgSb9 | 4 | false | 1.017801 | 0.967734 | -0.046827 | false | 0.248266 | 5.872234 | ['Ca', 'Li', 'Mg', 'Sb'] |
mp-569001 | Sr2LiCoN2 | 4 | true | 1.468448 | 0.518629 | -0.696298 | false | 0.235837 | -0.609081 | ['Co', 'Li', 'N', 'Sr'] |
mp-1205646 | K2LiPdF6 | 4 | false | -0.610779 | 0.773162 | -0.611796 | false | -0.125619 | -0.826896 | ['F', 'K', 'Li', 'Pd'] |
mp-1222364 | LiLaNb4O12 | 4 | false | -1.243886 | -0.508026 | 0.039977 | true | 0.594269 | -0.504751 | ['La', 'Li', 'Nb', 'O'] |
mp-1222522 | LiLa3Ti4O12 | 4 | false | -1.714935 | -0.475597 | -0.868213 | false | 1.177122 | -0.535727 | ['La', 'Li', 'O', 'Ti'] |
mp-1222371 | LiZn2CrO4 | 4 | false | -0.006498 | 0.308509 | 0.084868 | true | 1.133205 | -1.014649 | ['Cr', 'Li', 'O', 'Zn'] |
mp-1235811 | LiPu2TeO2 | 4 | false | -0.01889 | -0.614481 | -0.868213 | false | 3.141874 | -0.866566 | ['Li', 'O', 'Pu', 'Te'] |
mp-1235221 | LiEu2CoO4 | 4 | true | -0.285973 | -0.328703 | -0.868213 | false | 1.649149 | -0.903475 | ['Co', 'Eu', 'Li', 'O'] |
mp-753307 | LiNi4O4F | 4 | true | 0.47439 | 0.307855 | 0.821211 | true | 1.364524 | -0.96923 | ['F', 'Li', 'Ni', 'O'] |
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