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-1232999 | LiO8 | 2 | false | 1.720359 | 0.654797 | -0.765226 | false | -1.181862 | -0.911997 | ['Li', 'O'] |
mp-1236127 | LiO8 | 2 | false | 1.719137 | 0.654475 | -0.808019 | false | -1.237528 | -0.897719 | ['Li', 'O'] |
mp-1546006 | LiS4 | 2 | false | 1.90253 | 0.036938 | 0.626478 | true | -2.352166 | 4.289055 | ['Li', 'S'] |
mp-995393 | LiS4 | 2 | false | 1.499043 | 0.862733 | 0.620655 | true | -2.367226 | 4.875701 | ['Li', 'S'] |
mp-569073 | LiSn | 2 | false | 1.813196 | 1.158327 | -0.868213 | false | 0.894787 | -0.882882 | ['Li', 'Sn'] |
mp-1001825 | LiBe | 2 | false | 2.35539 | 1.340512 | -0.868213 | false | -1.715112 | -1.109235 | ['Be', 'Li'] |
mp-2475638 | LiBe | 2 | false | 2.350128 | 1.339125 | -0.868213 | false | -1.734839 | -1.10595 | ['Be', 'Li'] |
mp-1057216 | LiS | 2 | false | 1.208599 | 0.980194 | -0.868213 | false | -1.217245 | -1.141286 | ['Li', 'S'] |
mp-1103120 | LiB11 | 2 | false | 2.890774 | 0.289526 | -0.868213 | false | -0.819361 | -0.999194 | ['B', 'Li'] |
mp-1101854 | LiB11 | 2 | false | 2.98076 | 0.313258 | -0.868213 | false | -0.832948 | -0.997257 | ['B', 'Li'] |
mp-1094135 | LiO2 | 2 | false | 1.281536 | 0.735016 | -0.868213 | false | -0.937244 | -1.079202 | ['Li', 'O'] |
mp-1094600 | LiMg2 | 2 | false | 2.141169 | 1.066134 | -0.868213 | false | -1.553933 | -0.865001 | ['Li', 'Mg'] |
mp-1094568 | LiMg | 2 | false | 2.13725 | 1.151303 | -0.868213 | false | -1.681603 | -0.995881 | ['Li', 'Mg'] |
mp-1235252 | LiO8 | 2 | false | 1.712021 | 0.652599 | -0.868213 | false | -1.1739 | -0.913942 | ['Li', 'O'] |
mp-1236522 | LiO8 | 2 | false | 1.778937 | 0.670246 | -0.683569 | false | -1.320927 | -0.873825 | ['Li', 'O'] |
mp-2659 | LiN3 | 2 | false | 1.945267 | -0.107861 | 1.593981 | true | -1.218036 | -1.11649 | ['Li', 'N'] |
mp-973455 | LiMg2 | 2 | false | 2.122085 | 1.061101 | -0.868213 | false | -1.516274 | -0.879155 | ['Li', 'Mg'] |
mp-976262 | LiMg | 2 | false | 2.126592 | 1.148492 | -0.868213 | false | -1.657806 | -0.884906 | ['Li', 'Mg'] |
mp-1180520 | LiS | 2 | false | 1.101484 | 0.951945 | -0.5774 | false | -1.423688 | -0.777006 | ['Li', 'S'] |
mp-1180489 | LiN | 2 | false | 3.229273 | 0.719815 | -0.868213 | false | -1.605512 | -0.940665 | ['Li', 'N'] |
mp-1094673 | LiMg | 2 | false | 2.115034 | 1.145444 | -0.868213 | false | -1.653778 | -1.120956 | ['Li', 'Mg'] |
mp-1222412 | LiB3 | 2 | false | 1.993844 | 0.292818 | -0.781409 | false | -1.329246 | -1.024032 | ['B', 'Li'] |
mp-22902 | LiBi | 2 | false | 1.714962 | -6.842357 | -0.868213 | false | 2.521936 | -1.100466 | ['Bi', 'Li'] |
mp-1222413 | LiB3 | 2 | false | 1.857575 | 0.25688 | -0.805988 | false | -1.319208 | -0.813528 | ['B', 'Li'] |
mp-1094567 | LiMg3 | 2 | false | 2.156854 | 1.027169 | -0.868213 | false | -1.498359 | -0.984691 | ['Li', 'Mg'] |
mp-1183341 | Ba3Li | 2 | false | 2.295637 | 1.588122 | -0.868213 | false | -0.39193 | -0.603375 | ['Ba', 'Li'] |
mp-1184918 | K3Li | 2 | false | 2.306483 | 0.664277 | -0.868213 | false | -1.915281 | -0.566985 | ['K', 'Li'] |
mp-1185411 | LiEu3 | 2 | false | 2.277938 | -6.416169 | -0.868213 | false | 0.806411 | -0.790316 | ['Eu', 'Li'] |
mp-1185266 | LiNi3 | 2 | true | 2.240279 | -0.650894 | -0.868213 | false | 2.331506 | -1.116854 | ['Li', 'Ni'] |
mp-1185337 | LiHg3 | 2 | false | 1.965002 | -8.859105 | -0.868213 | false | 5.15556 | -0.983371 | ['Hg', 'Li'] |
mp-1185469 | LiYb3 | 2 | false | 2.411686 | -5.947523 | -0.868213 | false | 2.708865 | -0.914721 | ['Li', 'Yb'] |
mp-1185275 | LiPb3 | 2 | false | 2.044572 | 1.131587 | -0.868213 | false | 3.732772 | -0.915105 | ['Li', 'Pb'] |
mp-1185471 | LiTb3 | 2 | false | 2.37216 | -4.80397 | -0.868213 | false | 2.114161 | -0.9025 | ['Li', 'Tb'] |
mp-1185257 | LiY3 | 2 | false | 2.384513 | -2.425963 | -0.868213 | false | 0.0347 | -0.893031 | ['Li', 'Y'] |
mp-1185332 | LiGa3 | 2 | false | 1.997442 | -0.597658 | -0.868213 | false | 1.212184 | -1.051844 | ['Ga', 'Li'] |
mp-1185336 | LiGe3 | 2 | false | 2.17784 | 0.968625 | -0.868213 | false | 0.934697 | -1.028681 | ['Ge', 'Li'] |
mp-1185253 | LiTl3 | 2 | false | 2.08245 | -9.657554 | -0.868213 | false | 4.076179 | -0.936068 | ['Li', 'Tl'] |
mp-1185455 | LiRh3 | 2 | false | 2.085223 | -3.336739 | -0.868213 | false | 3.886167 | -1.079806 | ['Li', 'Rh'] |
mp-1185461 | LiSn3 | 2 | false | 2.029592 | 1.063023 | -0.868213 | false | 1.59274 | -0.95419 | ['Li', 'Sn'] |
mp-1185431 | LiSi3 | 2 | false | 2.431998 | 0.861067 | -0.868213 | false | -0.720244 | -1.0746 | ['Li', 'Si'] |
mp-862716 | LiAg3 | 2 | false | 2.030007 | -2.746266 | -0.868213 | false | 3.029644 | -1.046696 | ['Ag', 'Li'] |
mp-865939 | LiMg2 | 2 | false | 2.110372 | 1.058012 | -0.868213 | false | -1.508842 | -1.059986 | ['Li', 'Mg'] |
mp-862658 | LiCu3 | 2 | false | 2.159303 | -0.425279 | -0.868213 | false | 2.226627 | -1.104306 | ['Cu', 'Li'] |
mp-972285 | Sr3Li | 2 | false | 2.275894 | -1.33001 | -0.868213 | false | -0.942561 | -0.685635 | ['Li', 'Sr'] |
mp-973748 | LiIn3 | 2 | false | 1.955922 | -3.03188 | -0.868213 | false | 1.728982 | -0.972157 | ['In', 'Li'] |
mp-973741 | LiHo3 | 2 | false | 2.389656 | -5.159482 | -0.868213 | false | 2.303199 | -0.903675 | ['Ho', 'Li'] |
mp-974959 | Rb3Li | 2 | false | 2.334174 | 1.802501 | -0.868213 | false | -1.459983 | -0.432883 | ['Li', 'Rb'] |
mp-975906 | LiAl3 | 2 | false | 2.086349 | 0.450883 | -0.868213 | false | -0.981903 | -1.053536 | ['Al', 'Li'] |
mp-975909 | LiAu3 | 2 | false | 1.756402 | -9.178985 | -0.868213 | false | 7.583201 | -1.048112 | ['Au', 'Li'] |
mp-976272 | LiCa3 | 2 | false | 2.248883 | 0.427117 | -0.868213 | false | -1.569806 | -0.8038 | ['Ca', 'Li'] |
mp-7943 | LiAs | 2 | false | 1.524574 | -0.539098 | -0.645787 | false | 0.019958 | -0.407421 | ['As', 'Li'] |
mp-9588 | LiP | 2 | false | 1.493265 | 0.280357 | -0.320103 | false | -1.154608 | -0.519756 | ['Li', 'P'] |
mp-1018026 | LiAg | 2 | false | 1.988883 | -1.381147 | -0.868213 | false | 1.37445 | -1.04847 | ['Ag', 'Li'] |
mp-13444 | LiSn | 2 | false | 1.813396 | 1.15838 | -0.868213 | false | 0.815603 | -0.510693 | ['Li', 'Sn'] |
mp-8490 | LiGe | 2 | false | 1.899521 | 1.092097 | -0.868213 | false | 0.324561 | -0.697575 | ['Ge', 'Li'] |
mp-27687 | LiP7 | 2 | false | 1.961902 | -0.315838 | 0.274861 | true | -1.045501 | 2.685459 | ['Li', 'P'] |
mp-1094570 | LiMg2 | 2 | false | 2.145128 | 1.067178 | -0.868213 | false | -1.543609 | -0.868991 | ['Li', 'Mg'] |
mp-1094605 | LiMg2 | 2 | false | 2.146682 | 1.067588 | -0.868213 | false | -1.550225 | -0.866444 | ['Li', 'Mg'] |
mp-1094592 | LiMg | 2 | false | 2.159197 | 1.157091 | -0.868213 | false | -1.692825 | -0.869751 | ['Li', 'Mg'] |
mp-1180507 | LiB11 | 2 | false | 2.29627 | 0.132738 | -0.868213 | false | -0.911772 | -0.98537 | ['B', 'Li'] |
mp-1094559 | LiMg2 | 2 | false | 2.161595 | 1.071521 | -0.868213 | false | -1.56691 | -0.859862 | ['Li', 'Mg'] |
mp-1094853 | LiMg | 2 | false | 2.161993 | 1.157828 | -0.868213 | false | -1.704335 | -0.989038 | ['Li', 'Mg'] |
mp-2750540 | LiTe3 | 2 | false | 1.676715 | -3.723232 | -0.523164 | false | 1.116329 | 2.900328 | ['Li', 'Te'] |
mp-1094129 | LiO2 | 2 | false | 1.583668 | 0.814697 | -0.818108 | false | -1.013466 | -1.154626 | ['Li', 'O'] |
mp-1094578 | LiMg | 2 | false | 2.146611 | 1.153772 | -0.868213 | false | -1.684543 | -1.116583 | ['Li', 'Mg'] |
mp-1222403 | LiAu | 2 | false | 1.703458 | -5.696796 | -0.868213 | false | 4.505102 | -1.144889 | ['Au', 'Li'] |
mp-1105976 | LiB9 | 2 | false | 2.190055 | 0.12871 | -0.868213 | false | -0.892386 | -0.824462 | ['B', 'Li'] |
mp-1185319 | LiCl | 2 | false | -0.052796 | 0.286025 | 3.016493 | true | -1.399572 | -0.992997 | ['Cl', 'Li'] |
mp-1185301 | LiF | 2 | false | -1.309842 | 0.393559 | -0.868213 | false | -1.033058 | -1.125395 | ['F', 'Li'] |
mp-570935 | LiI | 2 | false | 0.6069 | 1.200782 | 2.098689 | true | -0.230658 | -0.861239 | ['I', 'Li'] |
mp-976280 | LiBr | 2 | false | 0.151901 | 1.064402 | 2.473123 | true | -0.568732 | -0.950984 | ['Br', 'Li'] |
mp-1023493 | LiMg15 | 2 | false | 2.173918 | 0.934691 | -0.868213 | false | -1.352237 | -0.207917 | ['Li', 'Mg'] |
mp-1016274 | LiMg7 | 2 | false | 2.165967 | 0.96492 | -0.868213 | false | -1.39215 | -0.729562 | ['Li', 'Mg'] |
mp-1094580 | LiMg | 2 | false | 2.163188 | 1.158143 | -0.868213 | false | -1.705418 | -0.863979 | ['Li', 'Mg'] |
mp-1094581 | LiMg2 | 2 | false | 2.152895 | 1.069226 | -0.868213 | false | -1.550607 | -0.866296 | ['Li', 'Mg'] |
mp-1094588 | LiMg5 | 2 | false | 2.159742 | 0.984829 | -0.868213 | false | -1.427445 | -0.857137 | ['Li', 'Mg'] |
mp-11807 | LiPt | 2 | false | 1.451203 | -5.894289 | -0.868213 | false | 5.721978 | -1.15941 | ['Li', 'Pt'] |
mp-1094665 | LiMg3 | 2 | false | 2.149187 | 1.025147 | -0.868213 | false | -1.487656 | -0.987347 | ['Li', 'Mg'] |
mp-1094982 | LiMg | 2 | false | 2.151383 | 1.15503 | -0.868213 | false | -1.684513 | -1.116588 | ['Li', 'Mg'] |
mp-1185249 | LiU | 2 | false | 2.546163 | -9.733493 | -0.868213 | false | 4.381353 | -1.124096 | ['Li', 'U'] |
mp-1185271 | LiPa | 2 | false | 2.478795 | -9.30356 | -0.868213 | false | 3.313153 | -1.107024 | ['Li', 'Pa'] |
mp-1185402 | LiMn | 2 | true | 2.586085 | -0.255637 | -0.868213 | false | 0.112926 | -1.16244 | ['Li', 'Mn'] |
mp-1222405 | LiCd3 | 2 | false | 2.051958 | -2.46827 | -0.868213 | false | 2.232908 | -1.005309 | ['Cd', 'Li'] |
mp-1222288 | LiZn3 | 2 | false | 2.077165 | -0.025605 | -0.868213 | false | 1.258154 | -1.065138 | ['Li', 'Zn'] |
mp-279 | LiIr | 2 | false | 1.859155 | -5.913152 | -0.868213 | false | 5.816464 | -1.161408 | ['Ir', 'Li'] |
mp-866755 | LiMg149 | 2 | false | 2.17946 | 0.907275 | -0.481794 | false | -1.309758 | 8.467177 | ['Li', 'Mg'] |
mp-2744 | LiPd | 2 | false | 1.713313 | -1.686605 | -0.868213 | false | 2.081147 | -1.158923 | ['Li', 'Pd'] |
mp-600561 | LiRh | 2 | false | 1.967067 | -1.790257 | -0.868213 | false | 2.115964 | -1.161957 | ['Li', 'Rh'] |
mp-973948 | LiHf | 2 | false | 2.525858 | -4.691641 | -0.868213 | false | 2.457262 | -1.118369 | ['Hf', 'Li'] |
mp-1094156 | LiMg2 | 2 | false | 2.149798 | 1.068409 | -0.868213 | false | -1.546988 | -0.867694 | ['Li', 'Mg'] |
mp-1094558 | LiMg5 | 2 | false | 2.155133 | 0.983614 | -0.868213 | false | -1.425037 | -0.857983 | ['Li', 'Mg'] |
mp-1021323 | LiC12 | 2 | false | 2.166692 | -0.404133 | -0.868213 | false | -1.00451 | -0.916043 | ['C', 'Li'] |
mp-1001581 | LiC6 | 2 | false | 2.169697 | -0.263309 | -0.868213 | false | -1.013527 | -1.068681 | ['C', 'Li'] |
mp-1001835 | LiB | 2 | false | 1.924511 | 0.634291 | -0.868213 | false | -1.594908 | -1.113561 | ['B', 'Li'] |
mp-1025406 | LiP3 | 2 | false | 2.497853 | 0.065437 | -0.868213 | false | -0.733268 | -0.877346 | ['Li', 'P'] |
mp-1078753 | LiTl | 2 | false | 2.0843 | -5.972728 | -0.868213 | false | 2.140099 | -0.654873 | ['Li', 'Tl'] |
mp-1079240 | LiAl | 2 | false | 2.037642 | 0.753239 | -0.868213 | false | -1.496737 | -0.808166 | ['Al', 'Li'] |
mp-1079267 | LiHg3 | 2 | false | 1.950778 | -8.862857 | -0.868213 | false | 5.266796 | -0.735883 | ['Hg', 'Li'] |
mp-1094582 | LiMg2 | 2 | false | 2.152485 | 1.069118 | -0.868213 | false | -1.556146 | -0.864134 | ['Li', 'Mg'] |
mp-1094602 | LiMg3 | 2 | false | 2.145283 | 1.024117 | -0.868213 | false | -1.481549 | -0.739525 | ['Li', 'Mg'] |
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