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-764370 | LiCoF3 | 3 | true | -0.669202 | 0.504364 | 1.192327 | true | -0.134277 | -0.740211 | ['Co', 'F', 'Li'] |
mp-777553 | LiFeF4 | 3 | true | -0.849299 | 0.442666 | 1.405748 | true | -0.276114 | -0.04187 | ['F', 'Fe', 'Li'] |
mp-759679 | LiMnF4 | 3 | true | -0.973488 | 0.376451 | 0.216496 | true | -0.502871 | 0.08464 | ['F', 'Li', 'Mn'] |
mp-1178122 | Li(FeO2)2 | 3 | true | 0.385856 | 0.038868 | -0.868213 | false | 0.203336 | 0.489842 | ['Fe', 'Li', 'O'] |
mp-1189919 | LiPO4 | 3 | false | 0.140939 | 0.264639 | -0.868213 | false | -1.152741 | -0.515024 | ['Li', 'O', 'P'] |
mp-1222341 | LiTa2O6 | 3 | false | -1.071501 | -0.527611 | -0.868213 | false | 2.043269 | -0.91058 | ['Li', 'O', 'Ta'] |
mp-33338 | LiGa3Te5 | 3 | false | 1.416211 | 1.051165 | -0.095984 | false | 0.87642 | 1.99921 | ['Ga', 'Li', 'Te'] |
mp-570512 | LiWCl6 | 3 | false | 0.834659 | -1.529551 | -0.868213 | false | -0.247521 | 1.051308 | ['Cl', 'Li', 'W'] |
mp-775739 | LiMn28O56 | 3 | true | 0.217286 | -0.231977 | -0.868213 | false | 0.251451 | 1.598757 | ['Li', 'Mn', 'O'] |
mp-777888 | LiFeF3 | 3 | true | -0.891158 | 0.368266 | 1.445223 | true | -0.183078 | -0.577339 | ['F', 'Fe', 'Li'] |
mp-760095 | LiMnF3 | 3 | true | -1.076168 | 0.279317 | 0.774559 | true | -0.416685 | -0.144614 | ['F', 'Li', 'Mn'] |
mp-1078377 | LiNbO3 | 3 | false | -0.99549 | -0.282116 | 1.626211 | true | 0.290634 | -0.899333 | ['Li', 'Nb', 'O'] |
mp-1078799 | LiNbF6 | 3 | false | -1.408943 | -0.49671 | 2.357678 | true | -0.210313 | -0.93973 | ['F', 'Li', 'Nb'] |
mp-1078834 | LiRuF6 | 3 | false | -0.366735 | -0.246892 | -0.191184 | false | 0.049502 | -0.959797 | ['F', 'Li', 'Ru'] |
mp-1079181 | LiOsF6 | 3 | false | -0.358346 | -1.244263 | -0.052921 | false | 0.990886 | -0.952941 | ['F', 'Li', 'Os'] |
mp-1079483 | LiAuF6 | 3 | false | 0.231018 | 0.995234 | 0.396129 | true | 1.187555 | -0.962268 | ['Au', 'F', 'Li'] |
mp-1080679 | LiTaF6 | 3 | false | -1.629745 | -1.420225 | 3.129026 | true | 0.689593 | -0.935386 | ['F', 'Li', 'Ta'] |
mp-1095099 | LiPtF6 | 3 | false | 0.15126 | -1.055553 | -0.868213 | false | 1.209129 | -0.965493 | ['F', 'Li', 'Pt'] |
mp-1103834 | Li(Mo3S4)2 | 3 | false | 1.042974 | -0.122236 | -0.868213 | false | 0.856534 | -0.438334 | ['Li', 'Mo', 'S'] |
mp-1104651 | Li(Mo3Se4)2 | 3 | false | 1.425237 | -3.372073 | -0.868213 | false | 1.795664 | -0.333239 | ['Li', 'Mo', 'Se'] |
mp-11172 | LiIrF6 | 3 | false | -0.055755 | -1.141761 | -0.868213 | false | 1.122422 | -0.961516 | ['F', 'Ir', 'Li'] |
mp-11171 | LiRhF6 | 3 | false | -0.010596 | -0.106243 | -0.868213 | false | 0.148828 | -0.967983 | ['F', 'Li', 'Rh'] |
mp-14591 | LiSbS2 | 3 | false | 1.173049 | 0.809781 | -0.01717 | false | -0.062606 | 0.278992 | ['Li', 'S', 'Sb'] |
mp-2647071 | LiZnF6 | 3 | false | 0.296612 | 0.526987 | -0.868213 | false | -0.35144 | -0.961094 | ['F', 'Li', 'Zn'] |
mp-27419 | LiBiF6 | 3 | false | -0.372402 | -1.448064 | 0.851206 | true | 1.027201 | -0.93886 | ['Bi', 'F', 'Li'] |
mp-3980 | LiSbF6 | 3 | false | -0.983984 | 0.643789 | 2.472175 | true | 0.237739 | -0.954708 | ['F', 'Li', 'Sb'] |
mp-504102 | Li(NiO2)2 | 3 | true | 0.843664 | 0.382594 | -0.868213 | false | 0.740893 | -0.866358 | ['Li', 'Ni', 'O'] |
mp-752607 | LiVF3 | 3 | false | -1.150649 | 0.264207 | 0.855472 | true | -0.352666 | -0.89635 | ['F', 'Li', 'V'] |
mp-752752 | LiMnF6 | 3 | true | -0.428062 | 0.607862 | -0.868213 | false | -0.262466 | -0.987019 | ['F', 'Li', 'Mn'] |
mp-754051 | LiFeF3 | 3 | true | -0.660031 | 0.429221 | -0.860968 | false | -0.148193 | -0.912626 | ['F', 'Fe', 'Li'] |
mp-752829 | LiMnF3 | 3 | true | -1.134937 | 0.263818 | 1.695613 | true | -0.279136 | -0.896121 | ['F', 'Li', 'Mn'] |
mp-754011 | Li(BiO2)3 | 3 | false | 0.43979 | 0.399364 | -0.868213 | false | 2.835382 | -0.361919 | ['Bi', 'Li', 'O'] |
mp-755797 | LiTi8O13 | 3 | false | -1.376846 | -0.530906 | -0.868213 | false | 0.191399 | -0.527911 | ['Li', 'O', 'Ti'] |
mp-758501 | LiNiF3 | 3 | true | -0.684728 | -0.019826 | 2.683158 | true | 0.169398 | -0.9444 | ['F', 'Li', 'Ni'] |
mp-763003 | LiMnF3 | 3 | true | -1.076029 | 0.279354 | 0.876123 | true | -0.899509 | 0.183408 | ['F', 'Li', 'Mn'] |
mp-773572 | LiCo6O7 | 3 | true | 0.76504 | 0.096103 | -0.868213 | false | 1.38713 | -0.849075 | ['Co', 'Li', 'O'] |
mp-777489 | LiFeF3 | 3 | true | -0.829351 | 0.384566 | 1.310819 | true | -0.838029 | 0.141555 | ['F', 'Fe', 'Li'] |
mp-9143 | LiPF6 | 3 | false | -1.043903 | 0.170137 | 4.236688 | false | -0.477151 | -0.99832 | ['F', 'Li', 'P'] |
mp-9144 | LiAsF6 | 3 | false | -0.644421 | 0.068564 | 2.612334 | true | -0.077982 | -0.979705 | ['As', 'F', 'Li'] |
mp-9657 | LiAsO3 | 3 | false | -0.01174 | 0.292496 | 1.4243 | true | 0.544604 | -0.9653 | ['As', 'Li', 'O'] |
mp-757163 | LiVF6 | 3 | false | -1.066395 | 0.442348 | 1.270735 | true | -0.577376 | -0.952716 | ['F', 'Li', 'V'] |
mp-1079885 | LiSbS2 | 3 | false | 1.158497 | 0.805943 | -0.806529 | false | 0.019018 | -0.748763 | ['Li', 'S', 'Sb'] |
mp-1176538 | LiVF4 | 3 | false | -1.343879 | 0.282545 | 0.628509 | true | -0.622703 | -0.782803 | ['F', 'Li', 'V'] |
mp-1176726 | LiFe3O4 | 3 | true | 0.330119 | -0.08282 | -0.861103 | false | 0.828505 | -0.779714 | ['Fe', 'Li', 'O'] |
mp-1176731 | LiFe2F5 | 3 | true | -0.037282 | 0.498237 | 1.954467 | true | -0.149729 | -0.657219 | ['F', 'Fe', 'Li'] |
mp-1176630 | LiMnF3 | 3 | true | -1.146793 | 0.260692 | 1.588767 | true | -0.416311 | -0.509256 | ['F', 'Li', 'Mn'] |
mp-1176702 | LiFeF4 | 3 | true | -0.930763 | 0.421182 | -0.849254 | false | -0.562126 | -0.780812 | ['F', 'Fe', 'Li'] |
mp-1176530 | LiVF4 | 3 | false | -1.286459 | 0.297688 | 0.703802 | true | -0.556418 | -0.79826 | ['F', 'Li', 'V'] |
mp-1176638 | LiMnF4 | 3 | true | -1.029163 | 0.361768 | 0.457339 | true | -0.573418 | -0.78115 | ['F', 'Li', 'Mn'] |
mp-1176620 | LiMnF5 | 3 | true | -0.781194 | 0.477202 | -0.125303 | false | -0.331117 | -0.313898 | ['F', 'Li', 'Mn'] |
mp-1176738 | LiMn7O14 | 3 | true | 0.126549 | -0.21247 | -0.868213 | false | 0.192661 | 1.685213 | ['Li', 'Mn', 'O'] |
mp-1180547 | LiAlH4 | 3 | false | 1.94247 | 0.941744 | 1.766776 | true | -1.731653 | -0.924923 | ['Al', 'H', 'Li'] |
mp-1180610 | LiB5O13 | 3 | false | 0.470874 | 0.141505 | -0.828806 | false | -1.257511 | 1.519707 | ['B', 'Li', 'O'] |
mp-1188344 | CsLiCl2 | 3 | false | -0.15678 | -1.389564 | 2.589922 | true | -0.556716 | 0.147039 | ['Cl', 'Cs', 'Li'] |
mp-1206673 | CsLiN2 | 3 | false | 3.286785 | -0.913183 | -0.868213 | false | -0.496191 | -0.703099 | ['Cs', 'Li', 'N'] |
mp-1211067 | LiTm2Br5 | 3 | false | 0.255038 | 0.914787 | -0.868213 | false | 1.01614 | 0.116569 | ['Br', 'Li', 'Tm'] |
mp-1210909 | LiIrO2 | 3 | false | 0.661266 | 0.21575 | 0.095295 | true | 3.787911 | -0.53156 | ['Ir', 'Li', 'O'] |
mp-1211059 | LiSm2Br5 | 3 | false | 0.141316 | 0.867671 | -0.770982 | false | 1.016498 | 0.048827 | ['Br', 'Li', 'Sm'] |
mp-1212277 | Li(NO)6 | 3 | false | 1.862131 | 0.208029 | -0.868213 | false | -2.075905 | 1.531139 | ['Li', 'N', 'O'] |
mp-12263 | LiAuF4 | 3 | false | -0.045794 | 0.905848 | 0.53595 | true | 1.596809 | -0.36337 | ['Au', 'F', 'Li'] |
mp-1273482 | LiNiO2 | 3 | true | 0.564755 | 0.412137 | -0.868213 | false | 0.659306 | -0.447308 | ['Li', 'Ni', 'O'] |
mp-1540429 | LiBiO2 | 3 | false | 0.145113 | 0.438567 | 0.839221 | true | 2.297581 | -0.576284 | ['Bi', 'Li', 'O'] |
mp-19373 | LiVO3 | 3 | false | -0.499472 | -0.092262 | 1.186233 | true | -0.481527 | -0.568046 | ['Li', 'O', 'V'] |
mp-19440 | LiVO3 | 3 | false | -0.498633 | -0.092041 | 1.05183 | true | -0.909164 | -0.388939 | ['Li', 'O', 'V'] |
mp-23421 | LiYb2Cl5 | 3 | false | 0.050555 | -2.2999 | 2.841396 | true | 0.980556 | -0.263159 | ['Cl', 'Li', 'Yb'] |
mp-25576 | Li(MoO2)2 | 3 | false | -0.017836 | -0.264535 | 0.129895 | true | 0.722462 | -0.716335 | ['Li', 'Mo', 'O'] |
mp-2506805 | LiMnO2 | 3 | true | -0.172326 | -0.027564 | 0.258814 | true | 0.125746 | -0.780945 | ['Li', 'Mn', 'O'] |
mp-2767265 | Li(CoO2)4 | 3 | true | 0.788327 | -0.553895 | -0.868213 | false | 0.694523 | -0.495784 | ['Co', 'Li', 'O'] |
mp-28068 | LiDy2Cl5 | 3 | false | -0.029599 | -1.991172 | -0.767664 | false | 0.623018 | -0.195045 | ['Cl', 'Dy', 'Li'] |
mp-29431 | LiDy2Br5 | 3 | false | 0.222281 | 0.896292 | -0.786826 | false | 1.245664 | 0.011768 | ['Br', 'Dy', 'Li'] |
mp-35929 | LiMnO2 | 3 | true | -0.136102 | -0.018011 | 0.098275 | true | 0.113175 | -0.778753 | ['Li', 'Mn', 'O'] |
mp-556472 | LiYF4 | 3 | false | -2.289498 | -0.767464 | 4.423296 | false | 0.038715 | -0.805407 | ['F', 'Li', 'Y'] |
mp-559767 | LiAsO3 | 3 | false | 0.027619 | 0.302876 | 1.122993 | true | 0.006566 | -0.575739 | ['As', 'Li', 'O'] |
mp-561430 | LiLuF4 | 3 | false | -2.333873 | -1.638308 | 4.382129 | false | 1.799932 | -0.854135 | ['F', 'Li', 'Lu'] |
mp-570542 | LiTm2Cl5 | 3 | false | 0.041797 | -2.200054 | -0.760825 | false | 0.794069 | -0.224065 | ['Cl', 'Li', 'Tm'] |
mp-680450 | K2LiSn4 | 3 | false | 1.855822 | 1.190492 | -0.188205 | false | 0.048743 | 9.999071 | ['K', 'Li', 'Sn'] |
mp-696822 | LiNO3 | 3 | false | 1.854969 | 0.571939 | -0.868213 | false | -0.850631 | -0.971419 | ['Li', 'N', 'O'] |
mp-723831 | LiVO3 | 3 | false | -0.498633 | -0.092041 | 0.967599 | true | -0.783186 | -0.450924 | ['Li', 'O', 'V'] |
mp-752525 | LiAgF2 | 3 | false | -0.098139 | -0.662846 | 0.386786 | true | 0.586311 | -0.604682 | ['Ag', 'F', 'Li'] |
mp-753032 | LiMn2F5 | 3 | true | -1.092254 | 0.169816 | 1.564324 | true | 0.13928 | -0.725009 | ['F', 'Li', 'Mn'] |
mp-753089 | LiCu2F6 | 3 | false | -0.079513 | 0.136796 | -0.868213 | false | 0.208664 | -0.652614 | ['Cu', 'F', 'Li'] |
mp-752521 | LiFeO3 | 3 | true | 0.612225 | 0.236547 | -0.642537 | false | -0.103238 | -0.647256 | ['Fe', 'Li', 'O'] |
mp-752914 | Li(CoO2)2 | 3 | true | 0.582028 | 0.201407 | -0.868213 | false | 0.540296 | -0.840892 | ['Co', 'Li', 'O'] |
mp-752898 | LiCu3F7 | 3 | false | -0.068578 | 0.022207 | -0.829415 | false | 0.269928 | -0.474947 | ['Cu', 'F', 'Li'] |
mp-752605 | LiAgF3 | 3 | false | -0.041299 | -0.394114 | -0.649646 | false | 0.22169 | -0.430824 | ['Ag', 'F', 'Li'] |
mp-752935 | Li(FeO2)2 | 3 | true | 0.395477 | 0.041405 | -0.868213 | false | 0.099398 | -0.788938 | ['Fe', 'Li', 'O'] |
mp-754569 | LiFeF4 | 3 | true | -0.850134 | 0.442446 | 1.264844 | true | -0.632255 | -0.763723 | ['F', 'Fe', 'Li'] |
mp-754707 | LiFeF3 | 3 | true | -0.865876 | 0.374934 | 1.450707 | true | -0.491644 | -0.47627 | ['F', 'Fe', 'Li'] |
mp-754994 | LiFeF3 | 3 | true | -0.870447 | 0.373728 | 1.32971 | true | -0.351619 | -0.525717 | ['F', 'Fe', 'Li'] |
mp-755188 | LiFe2F5 | 3 | true | -0.749598 | 0.310379 | 1.417394 | true | 0.26129 | -0.743407 | ['F', 'Fe', 'Li'] |
mp-755335 | LiCr2O3 | 3 | false | -0.231707 | -0.266087 | -0.288957 | false | 0.436904 | -0.545874 | ['Cr', 'Li', 'O'] |
mp-755703 | LiSbO2 | 3 | false | 0.021789 | 0.388709 | 0.609957 | true | 0.362016 | -0.879032 | ['Li', 'O', 'Sb'] |
mp-756227 | LiV2F7 | 3 | false | -1.352773 | 0.210759 | 0.567232 | true | -0.089208 | -0.597006 | ['F', 'Li', 'V'] |
mp-755653 | LiFeF5 | 3 | true | -0.529496 | 0.572265 | -0.509284 | false | -0.322555 | -0.775172 | ['F', 'Fe', 'Li'] |
mp-755889 | LiV2F7 | 3 | false | -1.293185 | 0.226474 | 0.620045 | true | -0.410847 | -0.498726 | ['F', 'Li', 'V'] |
mp-756012 | LiVF4 | 3 | false | -1.28712 | 0.297514 | 0.778486 | true | -0.606525 | -0.786675 | ['F', 'Li', 'V'] |
mp-756188 | LiCu3O4 | 3 | false | 0.905875 | 0.544591 | -0.868213 | false | 1.186353 | -0.783994 | ['Cu', 'Li', 'O'] |
mp-756332 | LiCr2O3 | 3 | false | -0.207986 | -0.259831 | -0.868213 | false | 0.50352 | -0.899666 | ['Cr', 'Li', 'O'] |
mp-755801 | LiVF4 | 3 | false | -1.369988 | 0.27566 | 0.576508 | true | -0.633809 | -0.780107 | ['F', 'Li', 'V'] |
mp-756100 | LiFeF4 | 3 | true | -0.848162 | 0.442966 | 1.620862 | true | -0.598151 | -0.77219 | ['F', 'Fe', 'Li'] |
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