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-758265 | LiCu2F6 | 3 | false | -0.125796 | 0.12459 | -0.868213 | false | 0.427178 | -0.696188 | ['Cu', 'F', 'Li'] |
mp-1198027 | LiSi2B | 3 | false | 2.014135 | 0.659898 | -0.078177 | false | -0.9075 | -0.053591 | ['B', 'Li', 'Si'] |
mp-553966 | Li(CuO)2 | 3 | false | 0.81631 | 0.593259 | -0.868213 | false | 1.191592 | -0.08671 | ['Cu', 'Li', 'O'] |
mp-605860 | Ba2LiN | 3 | false | 1.771069 | 0.984143 | -0.868213 | false | -0.032791 | 1.825465 | ['Ba', 'Li', 'N'] |
mp-31367 | LiClO2 | 3 | false | 0.963007 | 0.802353 | 0.954937 | true | -1.18536 | -0.516995 | ['Cl', 'Li', 'O'] |
mp-1188477 | LiH2N | 3 | false | 1.567051 | 0.716181 | 1.457478 | true | -1.634122 | -0.901374 | ['H', 'Li', 'N'] |
mp-1178395 | CsLiO | 3 | false | 0.487384 | 0.916306 | 0.238434 | true | -0.230734 | -0.360394 | ['Cs', 'Li', 'O'] |
mp-1222499 | LiCo3O4 | 3 | true | 0.728956 | 0.167794 | -0.868213 | false | 1.117277 | -1.018989 | ['Co', 'Li', 'O'] |
mp-1222538 | LiV3O4 | 3 | false | -0.333993 | -0.32476 | -0.868213 | false | 0.858083 | -0.811772 | ['Li', 'O', 'V'] |
mp-12716 | LiTlPd2 | 3 | false | 1.715924 | -5.370254 | -0.868213 | false | 4.75549 | -1.050837 | ['Li', 'Pd', 'Tl'] |
mp-5127 | LiCuO | 3 | false | 0.595214 | 0.636102 | 0.105181 | true | 0.357774 | -0.851033 | ['Cu', 'Li', 'O'] |
mp-7298 | Li(CuP)2 | 3 | false | 1.754422 | -0.440695 | -0.868213 | false | 0.590178 | -1.03529 | ['Cu', 'Li', 'P'] |
mp-753371 | LiCuS | 3 | false | 1.225723 | 0.880686 | 0.56818 | true | -0.66029 | -0.526357 | ['Cu', 'Li', 'S'] |
mp-758741 | Li(FeP)2 | 3 | true | 1.507191 | 0.213933 | -0.868213 | false | 0.62164 | -1.053111 | ['Fe', 'Li', 'P'] |
mp-755959 | NaLiO | 3 | false | 0.367898 | 0.842845 | 0.289284 | true | -1.419359 | -0.697302 | ['Li', 'Na', 'O'] |
mp-765613 | Li(CuO)3 | 3 | false | 0.944472 | 0.583709 | -0.868213 | false | 1.256648 | -0.401315 | ['Cu', 'Li', 'O'] |
mp-772290 | LiAgO | 3 | false | 0.791557 | 0.809384 | -0.040259 | false | 1.18333 | -0.783552 | ['Ag', 'Li', 'O'] |
mp-8310 | Li(NiP)2 | 3 | true | 1.461594 | -0.64964 | -0.868213 | false | 0.744795 | -1.054498 | ['Li', 'Ni', 'P'] |
mp-1003315 | LiMn4O8 | 3 | true | 0.0559 | -0.190528 | -0.762789 | false | 0.174811 | 0.457676 | ['Li', 'Mn', 'O'] |
mp-1020057 | LiLaO2 | 3 | false | -1.318628 | -0.023335 | 1.659795 | true | 1.20625 | -0.623899 | ['La', 'Li', 'O'] |
mp-10251 | LiDyO2 | 3 | false | -1.430159 | -0.029708 | 1.816001 | true | 1.822714 | -0.641419 | ['Dy', 'Li', 'O'] |
mp-1029625 | LiTaN2 | 3 | false | 0.736792 | -3.2891 | -0.604687 | false | 3.440672 | -0.306848 | ['Li', 'N', 'Ta'] |
mp-10620 | LiPrO2 | 3 | false | -1.232927 | 0.009461 | 1.524104 | true | 1.439419 | -0.653665 | ['Li', 'O', 'Pr'] |
mp-10970 | LiErO2 | 3 | false | -1.482715 | -0.039894 | 1.915195 | true | 2.10245 | -0.664374 | ['Er', 'Li', 'O'] |
mp-1105785 | LiH2N | 3 | false | 1.562374 | 0.714947 | -0.868213 | false | -1.647215 | -0.896257 | ['H', 'Li', 'N'] |
mp-1176671 | LiMn2F7 | 3 | true | -0.903085 | 0.324821 | 0.456594 | true | -0.444032 | 0.31413 | ['F', 'Li', 'Mn'] |
mp-1176564 | LiTmO2 | 3 | false | -1.513072 | -0.041719 | -0.868145 | false | 2.23452 | -0.675817 | ['Li', 'O', 'Tm'] |
mp-1176675 | LiLuO2 | 3 | false | -1.551055 | -0.054579 | -0.868213 | false | 2.612537 | -0.702206 | ['Li', 'Lu', 'O'] |
mp-1190287 | LiCO2 | 3 | false | 0.013835 | 0.016698 | 1.56859 | true | -1.171242 | -0.749453 | ['C', 'Li', 'O'] |
mp-1192145 | LiGaH4 | 3 | false | 1.98719 | 0.72574 | 2.301818 | true | -1.244503 | -0.41931 | ['Ga', 'H', 'Li'] |
mp-1193645 | LiReO5 | 3 | false | 0.369558 | 0.015667 | -0.252258 | false | 0.156717 | 0.076667 | ['Li', 'O', 'Re'] |
mp-1193215 | LiIO5 | 3 | false | 1.380095 | 0.734975 | -0.71397 | false | -0.180906 | -0.059522 | ['I', 'Li', 'O'] |
mp-1196213 | LiNbO3 | 3 | false | -1.003605 | -0.284256 | 1.250828 | true | 0.190263 | 0.167507 | ['Li', 'Nb', 'O'] |
mp-1198780 | LiSbO2 | 3 | false | -0.020745 | 0.377492 | 1.20939 | true | 0.428696 | 0.165718 | ['Li', 'O', 'Sb'] |
mp-1211043 | LiFeBr4 | 3 | true | 0.845347 | 0.943155 | -0.235737 | false | -0.083862 | 0.785186 | ['Br', 'Fe', 'Li'] |
mp-1211362 | Li(BH)6 | 3 | false | 1.732256 | 0.603867 | 2.926101 | true | -1.796331 | 0.163477 | ['B', 'H', 'Li'] |
mp-1210931 | LiFeCl4 | 3 | true | 0.49787 | 0.810586 | -0.009722 | false | -0.956104 | 0.452416 | ['Cl', 'Fe', 'Li'] |
mp-1222355 | LiNdO2 | 3 | false | -1.269895 | 0.001694 | 1.606575 | true | 1.621985 | -0.669138 | ['Li', 'Nd', 'O'] |
mp-1247321 | Li(FeN)2 | 3 | true | 1.915331 | -0.017647 | -0.868213 | false | 1.190472 | -0.729502 | ['Fe', 'Li', 'N'] |
mp-12645 | LiHoO2 | 3 | false | -1.45817 | -0.035594 | 2.100923 | true | 1.959017 | -0.652642 | ['Ho', 'Li', 'O'] |
mp-1247506 | Li(ReN2)3 | 3 | false | 2.250027 | -4.088354 | -0.868213 | false | 4.286684 | -0.624838 | ['Li', 'N', 'Re'] |
mp-22983 | LiAlCl4 | 3 | false | 0.156118 | -0.051116 | 2.926913 | true | -1.177225 | 0.454995 | ['Al', 'Cl', 'Li'] |
mp-2764589 | LiCuF3 | 3 | false | -0.410804 | 0.118274 | 0.045055 | true | 0.259224 | -0.647221 | ['Cu', 'F', 'Li'] |
mp-27653 | LiAlH4 | 3 | false | 1.932805 | 0.939195 | 2.345084 | true | -1.902983 | -0.434623 | ['Al', 'H', 'Li'] |
mp-28326 | LiGaBr4 | 3 | false | 0.570288 | 1.133774 | 1.495531 | true | -0.036568 | 0.81851 | ['Br', 'Ga', 'Li'] |
mp-28341 | LiGaCl4 | 3 | false | 0.487912 | -0.191411 | 2.200118 | true | -0.862936 | 0.464917 | ['Cl', 'Ga', 'Li'] |
mp-29195 | LiPO3 | 3 | false | -0.801768 | 0.040891 | 3.006133 | true | -0.881628 | 0.794055 | ['Li', 'O', 'P'] |
mp-29463 | LiBeN | 3 | false | 1.078244 | 0.470391 | 0.950333 | true | -1.184753 | -0.947855 | ['Be', 'Li', 'N'] |
mp-29473 | LiIO4 | 3 | false | 0.941949 | 0.664071 | 0.53507 | true | -0.134351 | -0.169082 | ['I', 'Li', 'O'] |
mp-29520 | LiAuI4 | 3 | false | 1.405974 | 1.364128 | -0.359172 | false | 1.241578 | -0.020973 | ['Au', 'I', 'Li'] |
mp-29892 | LiSb3O8 | 3 | false | 0.015202 | 0.240011 | -0.20845 | false | 1.590226 | -0.455228 | ['Li', 'O', 'Sb'] |
mp-3368 | LiNb3O8 | 3 | false | -1.107521 | -0.489296 | 1.174587 | true | 0.764695 | 0.383249 | ['Li', 'Nb', 'O'] |
mp-3635 | LiBO2 | 3 | false | -0.840563 | -0.023715 | 2.670293 | true | -1.00646 | -0.813289 | ['B', 'Li', 'O'] |
mp-541001 | LiInI4 | 3 | false | 1.071581 | 1.300829 | 0.734678 | true | 0.371867 | 1.565184 | ['I', 'In', 'Li'] |
mp-554689 | LiCoF4 | 3 | true | -0.607558 | 0.571056 | 0.437568 | true | -0.166279 | -0.849626 | ['Co', 'F', 'Li'] |
mp-558059 | LiMnF4 | 3 | true | -1.056245 | 0.354625 | 0.387801 | true | -0.131436 | -0.866101 | ['F', 'Li', 'Mn'] |
mp-567967 | LiGaI4 | 3 | false | 1.065798 | 1.2863 | 0.871451 | true | 0.323435 | 1.408823 | ['Ga', 'I', 'Li'] |
mp-570218 | LiBeH3 | 3 | false | 1.811441 | 1.097653 | 2.462019 | true | -1.988283 | 0.16453 | ['Be', 'H', 'Li'] |
mp-676685 | LiNi9S10 | 3 | true | 1.511648 | 0.554666 | -0.868213 | false | 1.005851 | 0.324069 | ['Li', 'Ni', 'S'] |
mp-690493 | LiMoO2 | 3 | false | 0.042227 | -0.093106 | 0.36566 | true | 1.009347 | -0.746225 | ['Li', 'Mo', 'O'] |
mp-7020 | LiYO2 | 3 | false | -1.401065 | -0.159182 | 2.104038 | true | 0.233499 | -0.639978 | ['Li', 'O', 'Y'] |
mp-724995 | LiBrN | 3 | false | 2.844967 | 1.139668 | 0.299169 | true | -1.035526 | -0.359912 | ['Br', 'Li', 'N'] |
mp-752565 | LiAg2F4 | 3 | false | 0.254279 | -0.781792 | -0.868213 | false | 0.715829 | -0.049714 | ['Ag', 'F', 'Li'] |
mp-752831 | LiCuF2 | 3 | false | -0.263013 | 0.055969 | 0.308987 | true | 0.05281 | -0.69477 | ['Cu', 'F', 'Li'] |
mp-752837 | LiAgF3 | 3 | false | -0.042241 | -0.394362 | -0.868213 | false | 0.430375 | -0.48814 | ['Ag', 'F', 'Li'] |
mp-752874 | LiMnF4 | 3 | true | -0.988297 | 0.372545 | 0.637717 | true | -0.404222 | -0.39762 | ['F', 'Li', 'Mn'] |
mp-753115 | LiMnF4 | 3 | true | -1.017927 | 0.364731 | 0.641171 | true | -0.435684 | -0.384866 | ['F', 'Li', 'Mn'] |
mp-753782 | LiVF5 | 3 | false | -1.200332 | 0.369901 | 0.4851 | true | -0.685182 | -0.162598 | ['F', 'Li', 'V'] |
mp-753257 | LiCuF4 | 3 | false | -0.164143 | 0.250848 | -0.338114 | false | 0.002583 | -0.863963 | ['Cu', 'F', 'Li'] |
mp-753405 | LiCuF3 | 3 | false | -0.394639 | 0.122537 | -0.513617 | false | 0.019842 | -0.591285 | ['Cu', 'F', 'Li'] |
mp-753604 | LiVF6 | 3 | false | -1.089738 | 0.436192 | 1.30398 | true | -0.519562 | -0.683872 | ['F', 'Li', 'V'] |
mp-753242 | LiMnF4 | 3 | true | -0.890375 | 0.39837 | -0.213867 | false | -0.316541 | -0.431233 | ['F', 'Li', 'Mn'] |
mp-753383 | LiAgF4 | 3 | false | 0.146644 | -0.175387 | 0.163411 | true | -0.025532 | -0.2523 | ['Ag', 'F', 'Li'] |
mp-754162 | LiGdO2 | 3 | false | -1.350011 | -0.694607 | 1.249813 | true | 1.499197 | -0.610063 | ['Gd', 'Li', 'O'] |
mp-754618 | LiMnF4 | 3 | true | -1.019865 | 0.36422 | 0.628306 | true | -0.488984 | -0.362352 | ['F', 'Li', 'Mn'] |
mp-754660 | LiFeS2 | 3 | true | 1.212505 | 0.505303 | -0.868213 | false | -0.386279 | -0.470956 | ['Fe', 'Li', 'S'] |
mp-754895 | LiVF4 | 3 | false | -1.38721 | 0.271118 | 0.794533 | true | -0.200205 | -0.866125 | ['F', 'Li', 'V'] |
mp-754770 | LiMnF3 | 3 | true | -1.100864 | 0.272804 | 1.511781 | true | -0.553032 | -0.45831 | ['F', 'Li', 'Mn'] |
mp-755632 | LiFeF4 | 3 | true | -0.934067 | 0.42031 | 1.589918 | true | -0.0999 | -0.498961 | ['F', 'Fe', 'Li'] |
mp-756544 | LiLaO2 | 3 | false | -1.328027 | -0.025813 | 1.650586 | true | 0.715077 | -0.530324 | ['La', 'Li', 'O'] |
mp-756648 | LiNdO2 | 3 | false | -1.266722 | 0.00253 | 1.575361 | true | 0.976403 | -0.563746 | ['Li', 'Nd', 'O'] |
mp-756049 | LiVF4 | 3 | false | -1.322608 | 0.288155 | 0.558971 | true | -0.491936 | -0.386495 | ['F', 'Li', 'V'] |
mp-756821 | LiAgF3 | 3 | false | -0.017321 | -0.38779 | -0.80829 | false | 0.626246 | -0.534994 | ['Ag', 'F', 'Li'] |
mp-757195 | LiVF4 | 3 | false | -1.30203 | 0.293582 | 0.717953 | true | -0.641433 | -0.318325 | ['F', 'Li', 'V'] |
mp-757275 | LiMnF3 | 3 | true | -1.095504 | 0.274218 | 1.548209 | true | -0.484154 | 0.268478 | ['F', 'Li', 'Mn'] |
mp-757089 | LiIO4 | 3 | false | 0.965139 | 0.670187 | 0.676177 | true | -0.301871 | -0.087944 | ['I', 'Li', 'O'] |
mp-759086 | LiVF5 | 3 | false | -1.204808 | 0.368721 | 0.643811 | true | -0.742052 | 0.982183 | ['F', 'Li', 'V'] |
mp-758606 | LiVF5 | 3 | false | -1.225902 | 0.363158 | 0.430526 | true | -0.540378 | -0.241707 | ['F', 'Li', 'V'] |
mp-759186 | LiVF5 | 3 | false | -1.148275 | 0.38363 | 0.536627 | true | -0.72714 | -0.137274 | ['F', 'Li', 'V'] |
mp-759480 | LiMn2F5 | 3 | true | -1.084736 | 0.171799 | 1.314069 | true | -0.217567 | -0.052052 | ['F', 'Li', 'Mn'] |
mp-759492 | LiMnF3 | 3 | true | -1.13574 | 0.263607 | 1.663045 | true | -0.50762 | 0.286143 | ['F', 'Li', 'Mn'] |
mp-759032 | LiMnF3 | 3 | true | -1.076786 | 0.279154 | -0.868213 | false | -0.41141 | 0.216231 | ['F', 'Li', 'Mn'] |
mp-759527 | LiMn2F7 | 3 | true | -0.898532 | 0.326022 | 0.209996 | true | -0.456674 | 0.323691 | ['F', 'Li', 'Mn'] |
mp-759111 | LiMn2F7 | 3 | true | -0.95747 | 0.310478 | -0.868213 | false | -0.059497 | 0.070457 | ['F', 'Li', 'Mn'] |
mp-760031 | LiVF5 | 3 | false | -1.182178 | 0.374689 | 0.454563 | true | -0.611536 | 0.829467 | ['F', 'Li', 'V'] |
mp-759647 | LiWF6 | 3 | false | -1.028413 | 0.311853 | 1.482531 | true | 0.640711 | 0.003481 | ['F', 'Li', 'W'] |
mp-759570 | LiV5F11 | 3 | false | -1.064338 | 0.090968 | 0.6539 | true | -0.421988 | 1.655437 | ['F', 'Li', 'V'] |
mp-760353 | LiCu2F7 | 3 | false | 0.156759 | 0.246506 | -0.6791 | false | -0.067483 | 0.165218 | ['Cu', 'F', 'Li'] |
mp-760819 | LiAg2F6 | 3 | false | 0.387331 | -0.41768 | -0.814316 | false | 0.516381 | 0.18979 | ['Ag', 'F', 'Li'] |
mp-760294 | LiVF5 | 3 | false | -1.195565 | 0.371158 | 0.426125 | true | -0.761118 | 1.006401 | ['F', 'Li', 'V'] |
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