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-1080052 | LiIO3 | 3 | false | 1.601384 | 0.90049 | -0.868213 | false | 1.541229 | -0.950091 | ['I', 'Li', 'O'] |
mp-1180498 | LiBC | 3 | false | 3.438187 | 0.722318 | -0.868213 | false | -1.245763 | -1.086994 | ['B', 'C', 'Li'] |
mp-11977 | LiSnAu | 3 | false | 1.705734 | 1.099556 | -0.868213 | false | 3.667984 | -0.903047 | ['Au', 'Li', 'Sn'] |
mp-1206881 | LiTaS2 | 3 | false | 0.496566 | 0.070088 | -0.289905 | false | 1.960508 | -0.876376 | ['Li', 'S', 'Ta'] |
mp-1206281 | LiAlAu | 3 | false | 1.757349 | -3.772084 | -0.868213 | false | 3.090217 | -0.973579 | ['Al', 'Au', 'Li'] |
mp-1207274 | LiGaIr | 3 | false | 1.642324 | -4.429628 | -0.868213 | false | 5.242641 | -1.015596 | ['Ga', 'Ir', 'Li'] |
mp-1207369 | LiGaPt | 3 | false | 1.470379 | 0.861872 | -0.868213 | false | 4.765548 | -0.998471 | ['Ga', 'Li', 'Pt'] |
mp-1207156 | LiInRh | 3 | false | 1.709485 | -2.759302 | -0.868213 | false | 2.84694 | -0.969018 | ['In', 'Li', 'Rh'] |
mp-1210878 | LiTaN2 | 3 | false | 1.09049 | -3.19582 | -0.868213 | false | 3.230781 | -0.99681 | ['Li', 'N', 'Ta'] |
mp-1214979 | Ba3LiIn11 | 3 | false | 1.82205 | 1.283916 | -0.868213 | false | 1.537952 | 1.428337 | ['Ba', 'In', 'Li'] |
mp-12815 | Na2LiAu3 | 3 | false | 1.654762 | -5.823519 | -0.868213 | false | 3.708394 | -0.57376 | ['Au', 'Li', 'Na'] |
mp-13277 | BaLiP | 3 | false | 1.171199 | 0.953653 | -0.216101 | false | -0.001302 | -0.789799 | ['Ba', 'Li', 'P'] |
mp-13288 | Ba3LiN | 3 | false | 1.833685 | 1.093638 | -0.868213 | false | -0.182837 | -0.04408 | ['Ba', 'Li', 'N'] |
mp-13276 | SrLiP | 3 | false | 0.923151 | -0.784086 | 0.041195 | true | -0.415124 | -0.853501 | ['Li', 'P', 'Sr'] |
mp-3924 | LiNbO2 | 3 | false | -0.783786 | -0.256956 | 0.201261 | true | 1.278513 | -1.014805 | ['Li', 'Nb', 'O'] |
mp-569834 | LiCu2Sn | 3 | false | 1.963643 | 1.032626 | -0.868213 | false | 2.186673 | -0.892811 | ['Cu', 'Li', 'Sn'] |
mp-722181 | KLiS | 3 | false | 0.705648 | 1.030565 | 1.010933 | true | -1.222848 | -0.848549 | ['K', 'Li', 'S'] |
mp-753024 | LiVF3 | 3 | false | -1.099439 | 0.277713 | 0.46973 | true | -1.052727 | -0.732052 | ['F', 'Li', 'V'] |
mp-752927 | LiAgF2 | 3 | false | -0.155514 | -0.677977 | 0.265924 | true | 1.132815 | -0.968944 | ['Ag', 'F', 'Li'] |
mp-755585 | LiAgO2 | 3 | false | 1.260679 | 0.808727 | -0.868213 | false | 1.057878 | -0.974078 | ['Ag', 'Li', 'O'] |
mp-755144 | NaLiO | 3 | false | 0.329612 | 0.832747 | 1.083112 | true | -0.954079 | -1.048639 | ['Li', 'Na', 'O'] |
mp-764648 | LiTiO2 | 3 | false | -1.073767 | -0.17343 | -0.868213 | false | 0.118864 | -1.026212 | ['Li', 'O', 'Ti'] |
mp-774712 | LiCuS | 3 | false | 1.232532 | 0.882482 | -0.293967 | false | 0.046172 | -0.980648 | ['Cu', 'Li', 'S'] |
mp-7936 | LiNbS2 | 3 | false | 0.462071 | 0.189064 | -0.385105 | false | 0.347318 | -0.869821 | ['Li', 'Nb', 'S'] |
mp-859873 | LiMnF3 | 3 | true | -1.077555 | 0.278952 | 1.685457 | true | -1.028719 | -0.722939 | ['F', 'Li', 'Mn'] |
mp-9244 | LiBC | 3 | false | 1.759053 | 0.279482 | -0.294644 | false | -1.049849 | -1.107287 | ['B', 'C', 'Li'] |
mp-769006 | Li(Bi3O5)4 | 3 | false | 0.467541 | 0.36476 | -0.868213 | false | 3.485028 | 0.278983 | ['Bi', 'Li', 'O'] |
mp-1176709 | LiFeF3 | 3 | true | -0.869333 | 0.374022 | 1.573533 | true | -0.203546 | -0.571473 | ['F', 'Fe', 'Li'] |
mp-1190441 | LiSbF4 | 3 | false | -0.963822 | 0.622386 | 2.608678 | true | 0.383141 | -0.329964 | ['F', 'Li', 'Sb'] |
mp-1195443 | LiMn4O8 | 3 | true | 0.06796 | -0.187348 | -0.868213 | false | 0.198714 | 0.442706 | ['Li', 'Mn', 'O'] |
mp-752636 | LiSbO3 | 3 | false | -0.060971 | 0.310913 | 0.113306 | true | 1.08514 | -0.607293 | ['Li', 'O', 'Sb'] |
mp-776156 | LiMnF3 | 3 | true | -1.129081 | 0.265363 | 1.53223 | true | -0.303879 | -0.546418 | ['F', 'Li', 'Mn'] |
mp-777551 | LiVF3 | 3 | false | -1.159369 | 0.261908 | 1.035241 | true | -0.334157 | -0.560368 | ['F', 'Li', 'V'] |
mp-778509 | LiVF3 | 3 | false | -1.121961 | 0.271773 | 0.99062 | true | -0.344045 | -0.557272 | ['F', 'Li', 'V'] |
mp-763149 | LiMnF3 | 3 | true | -1.14354 | 0.26155 | 1.45978 | true | -0.338091 | -0.535517 | ['F', 'Li', 'Mn'] |
mp-768971 | Li(BiO2)3 | 3 | false | 0.437743 | 0.398824 | -0.868213 | false | 2.637802 | 0.581584 | ['Bi', 'Li', 'O'] |
mp-1101736 | LiFe3O4 | 3 | true | 0.330172 | -0.082806 | -0.179673 | false | 0.845004 | -1.010059 | ['Fe', 'Li', 'O'] |
mp-1172967 | Li(NiO2)2 | 3 | true | 0.840539 | 0.38177 | -0.868213 | false | 0.632313 | -0.853508 | ['Li', 'Ni', 'O'] |
mp-1176718 | LiFeF3 | 3 | true | -0.840463 | 0.381636 | 1.252318 | true | -0.353048 | -0.168793 | ['F', 'Fe', 'Li'] |
mp-1176510 | LiVS3 | 3 | false | 0.916728 | 0.422172 | -0.841197 | false | -0.861298 | -0.638213 | ['Li', 'S', 'V'] |
mp-1176656 | LiMn2O4 | 3 | true | -0.053465 | -0.13436 | -0.155704 | false | 0.174197 | -0.805798 | ['Li', 'Mn', 'O'] |
mp-1176707 | LiFeF3 | 3 | true | -0.851188 | 0.378807 | 1.47515 | true | -0.457133 | -0.114551 | ['F', 'Fe', 'Li'] |
mp-1176724 | LiFeF3 | 3 | true | -0.720675 | 0.413227 | 1.186166 | true | -0.43636 | 2.098864 | ['F', 'Fe', 'Li'] |
mp-1178103 | Li(FeO2)2 | 3 | true | 0.366572 | 0.033782 | -0.65811 | false | 0.164528 | -1.019015 | ['Fe', 'Li', 'O'] |
mp-1176788 | LiBi4O7 | 3 | false | 0.420354 | 0.389774 | -0.868213 | false | 3.401305 | -0.201588 | ['Bi', 'Li', 'O'] |
mp-1176739 | LiFe2F5 | 3 | true | -0.764066 | 0.306564 | 1.386112 | true | -0.417983 | 0.072756 | ['F', 'Fe', 'Li'] |
mp-1178121 | Li(Fe2O3)4 | 3 | true | 0.342361 | -0.153907 | -0.249076 | false | 0.566538 | 0.108839 | ['Fe', 'Li', 'O'] |
mp-1222991 | Li(NiO2)5 | 3 | true | 1.19038 | 0.396709 | -0.868213 | false | 0.566418 | -0.757906 | ['Li', 'Ni', 'O'] |
mp-1222772 | Li(TiTe2)5 | 3 | false | 1.072303 | 0.501027 | -0.868213 | false | 1.288226 | 0.047902 | ['Li', 'Te', 'Ti'] |
mp-1232993 | LiTi8O16 | 3 | false | -1.557611 | -0.54607 | -0.868213 | false | 0.132061 | -0.453653 | ['Li', 'O', 'Ti'] |
mp-1235061 | Li(SiO2)6 | 3 | false | -1.040696 | -0.168675 | -0.868213 | false | -0.936518 | -0.488563 | ['Li', 'O', 'Si'] |
mp-1235229 | Sr2LiO12 | 3 | false | 1.063506 | 0.568322 | -0.868213 | false | -0.583629 | -0.614733 | ['Li', 'O', 'Sr'] |
mp-1232991 | LiV4O10 | 3 | false | -0.372323 | -0.256301 | -0.868213 | false | -0.81048 | -0.538035 | ['Li', 'O', 'V'] |
mp-1238788 | Li(CrS2)2 | 3 | false | 1.174206 | 0.282937 | -0.868213 | false | -0.622395 | 0.388695 | ['Cr', 'Li', 'S'] |
mp-1275540 | LiMnO2 | 3 | true | -0.153521 | -0.022604 | -0.868213 | false | 0.271532 | -0.371683 | ['Li', 'Mn', 'O'] |
mp-1291590 | LiMn3O4 | 3 | true | -0.079571 | -0.26616 | -0.868213 | false | 0.597466 | -0.751239 | ['Li', 'Mn', 'O'] |
mp-1285136 | Li(CoO2)2 | 3 | true | 0.587065 | 0.202736 | -0.868213 | false | 0.507902 | -0.836626 | ['Co', 'Li', 'O'] |
mp-1284778 | LiMnO2 | 3 | true | -0.156252 | -0.023325 | -0.868213 | false | 0.26478 | -0.369573 | ['Li', 'Mn', 'O'] |
mp-1303262 | LiMnO2 | 3 | true | -0.153336 | -0.022556 | -0.868213 | false | 0.277193 | -0.373443 | ['Li', 'Mn', 'O'] |
mp-1285988 | LiV3O4 | 3 | false | -0.344508 | -0.327533 | -0.71783 | false | 0.598222 | -0.776114 | ['Li', 'O', 'V'] |
mp-1348117 | LiFe2F9 | 3 | true | 1.538287 | 1.072221 | -0.868213 | false | -0.716375 | -0.201621 | ['F', 'Fe', 'Li'] |
mp-1340071 | LiCoO2 | 3 | true | 1.91666 | 0.670509 | -0.868213 | false | 0.733114 | -0.753939 | ['Co', 'Li', 'O'] |
mp-1379435 | LiNiO2 | 3 | true | 1.833829 | 0.746827 | -0.868213 | false | 0.635669 | -0.740159 | ['Li', 'Ni', 'O'] |
mp-1396571 | Li(NiO2)2 | 3 | true | 3.935187 | 1.197917 | -0.868213 | false | 0.632314 | -0.853508 | ['Li', 'Ni', 'O'] |
mp-1386790 | LiMnF5 | 3 | true | 2.343605 | 1.301301 | -0.868213 | false | -0.567347 | -0.719803 | ['F', 'Li', 'Mn'] |
mp-1398557 | LiAgF3 | 3 | false | 0.917561 | -0.141235 | -0.728257 | false | 0.387739 | -0.857625 | ['Ag', 'F', 'Li'] |
mp-1409456 | LiV6O13 | 3 | false | -0.068439 | -0.230856 | -0.868213 | false | -0.090379 | 0.142793 | ['Li', 'O', 'V'] |
mp-1639253 | LiNi2O3 | 3 | true | 0.630042 | 0.335753 | -0.868213 | false | 1.05518 | -0.617735 | ['Li', 'Ni', 'O'] |
mp-24818 | LiBeH3 | 3 | false | 1.815063 | 1.098608 | 2.49567 | true | -2.028384 | -0.731587 | ['Be', 'H', 'Li'] |
mp-24817 | LiBeH3 | 3 | false | 1.811484 | 1.097665 | 2.445971 | true | -1.984607 | -0.541726 | ['Be', 'H', 'Li'] |
mp-2763329 | LiMnF5 | 3 | true | -0.886748 | -0.050517 | -0.183736 | false | -0.56209 | -0.721202 | ['F', 'Li', 'Mn'] |
mp-2762847 | LiVF5 | 3 | false | -1.249389 | -0.121545 | -0.790753 | false | -0.76845 | -0.674648 | ['F', 'Li', 'V'] |
mp-2767670 | LiMo6Cl13 | 3 | false | 0.881656 | -1.693094 | 1.008631 | true | -0.23759 | 1.709238 | ['Cl', 'Li', 'Mo'] |
mp-28060 | LiGeTe2 | 3 | false | 1.482553 | 0.999927 | -0.572254 | false | 0.656578 | 0.797429 | ['Ge', 'Li', 'Te'] |
mp-29508 | Li(MoO3)3 | 3 | false | -0.047802 | -0.236555 | -0.72108 | false | 0.099333 | 3.078781 | ['Li', 'Mo', 'O'] |
mp-30248 | LiMoS2 | 3 | false | 0.816013 | 0.228416 | -0.171684 | false | 0.464011 | -0.517314 | ['Li', 'Mo', 'S'] |
mp-35040 | LiMg9B20 | 3 | false | 1.991503 | 0.256955 | -0.868213 | false | -0.797923 | -0.409681 | ['B', 'Li', 'Mg'] |
mp-540946 | LiReO4 | 3 | false | -0.372892 | -0.210957 | 1.860418 | true | 0.821736 | 0.247853 | ['Li', 'O', 'Re'] |
mp-542050 | LiV6O13 | 3 | false | -0.485644 | -0.340884 | -0.401897 | false | -0.090379 | 0.142793 | ['Li', 'O', 'V'] |
mp-625211 | LiH3O2 | 3 | false | 0.483159 | 0.60277 | 2.433445 | true | -1.525484 | -0.964423 | ['H', 'Li', 'O'] |
mp-674388 | Li(CoO2)8 | 3 | true | 0.894092 | 0.17127 | -0.791701 | false | 0.490306 | -0.452664 | ['Co', 'Li', 'O'] |
mp-675711 | Li(Mo3S4)2 | 3 | false | 1.038243 | -0.123484 | -0.868213 | false | 0.834211 | 0.372162 | ['Li', 'Mo', 'S'] |
mp-675926 | LiBH4 | 3 | false | 1.725633 | 0.921807 | 3.103161 | true | -1.93487 | -0.994754 | ['B', 'H', 'Li'] |
mp-676780 | LiMn9Se10 | 3 | true | 1.094963 | -2.20048 | -0.868213 | false | 1.063629 | -0.078936 | ['Li', 'Mn', 'Se'] |
mp-680167 | LiMo6Cl13 | 3 | false | 0.894062 | -1.689822 | 0.725808 | true | -0.159196 | 1.610912 | ['Cl', 'Li', 'Mo'] |
mp-680436 | Rb2LiSn4 | 3 | false | 1.85105 | 1.201738 | -0.1316 | false | 0.338903 | 4.643735 | ['Li', 'Rb', 'Sn'] |
mp-686110 | Li(ReO3)5 | 3 | false | -0.164083 | -0.4163 | -0.868213 | false | 2.474103 | 1.795236 | ['Li', 'O', 'Re'] |
mp-752465 | LiVF4 | 3 | false | -1.347629 | 0.281556 | 0.548544 | true | -0.701241 | -0.763022 | ['F', 'Li', 'V'] |
mp-752701 | LiCuF3 | 3 | false | -0.409994 | 0.118488 | -0.763398 | false | 0.116027 | -0.614987 | ['Cu', 'F', 'Li'] |
mp-753344 | LiNi6O7 | 3 | true | 0.762074 | 0.263599 | -0.868213 | false | 1.744775 | -0.527593 | ['Li', 'Ni', 'O'] |
mp-753253 | LiMn2F7 | 3 | true | -0.908027 | 0.323518 | 0.276283 | true | -0.621889 | -0.388864 | ['F', 'Li', 'Mn'] |
mp-752740 | LiMnF4 | 3 | true | -1.009753 | 0.366887 | 0.662364 | true | -0.432895 | -0.812081 | ['F', 'Li', 'Mn'] |
mp-753247 | LiMnF5 | 3 | true | -0.780313 | 0.477435 | 0.131859 | true | -0.567347 | -0.719803 | ['F', 'Li', 'Mn'] |
mp-753019 | LiMn2F9 | 3 | true | -0.567534 | 0.483393 | -0.187934 | false | -0.536113 | -0.302222 | ['F', 'Li', 'Mn'] |
mp-753592 | LiMn2F7 | 3 | true | -0.881873 | 0.330416 | 0.302148 | true | -0.647594 | -0.377136 | ['F', 'Li', 'Mn'] |
mp-755045 | Li(NiO2)2 | 3 | true | 0.870489 | 0.389669 | -0.679777 | false | 0.563426 | -0.844884 | ['Li', 'Ni', 'O'] |
mp-756497 | LiFeO2 | 3 | true | 0.062053 | 0.084444 | 0.129895 | true | 0.260317 | -0.689162 | ['Fe', 'Li', 'O'] |
mp-756113 | LiFeF3 | 3 | true | -0.882775 | 0.370477 | -0.868213 | false | -0.342212 | -0.52881 | ['F', 'Fe', 'Li'] |
mp-756475 | LiMnO2 | 3 | true | -0.149727 | -0.021604 | -0.525263 | false | 0.229792 | -0.13856 | ['Li', 'Mn', 'O'] |
mp-756446 | LiNiO2 | 3 | true | 0.557188 | 0.410141 | -0.868213 | false | 0.635669 | -0.740159 | ['Li', 'Ni', 'O'] |
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