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-1185338 | LiCu3 | 2 | false | 2.16855 | -0.42284 | -0.868213 | false | 2.22823 | -0.970553 | ['Cu', 'Li'] |
mp-1185352 | LiGa3 | 2 | false | 2.008059 | -0.594858 | -0.868213 | false | 1.184459 | -0.862742 | ['Ga', 'Li'] |
mp-1185348 | LiF3 | 2 | false | 0.582402 | 0.838969 | -0.868213 | false | -0.705034 | -1.010762 | ['F', 'Li'] |
mp-1185345 | LiEr3 | 2 | false | 2.3749 | -5.390579 | -0.868213 | false | 2.452294 | -0.58027 | ['Er', 'Li'] |
mp-1185355 | LiEu3 | 2 | false | 2.262014 | -6.420368 | -0.868213 | false | 0.793531 | -0.33899 | ['Eu', 'Li'] |
mp-1185470 | LiYb3 | 2 | false | 2.357565 | -5.961796 | -0.868213 | false | 2.720907 | -0.592782 | ['Li', 'Yb'] |
mp-1185342 | LiAg3 | 2 | false | 2.039093 | -2.74387 | -0.868213 | false | 3.009052 | -0.853813 | ['Ag', 'Li'] |
mp-1185384 | LiHo3 | 2 | false | 2.377258 | -5.162751 | -0.868213 | false | 2.291453 | -0.567565 | ['Ho', 'Li'] |
mp-1185340 | LiDy3 | 2 | false | 2.380478 | -4.966152 | -0.868213 | false | 2.1796 | -0.561545 | ['Dy', 'Li'] |
mp-1185333 | LiAu3 | 2 | false | 1.757542 | -9.178684 | -0.868213 | false | 7.623134 | -0.859573 | ['Au', 'Li'] |
mp-1185350 | LiCa3 | 2 | false | 2.246368 | 0.426453 | -0.868213 | false | -1.597182 | -0.343373 | ['Ca', 'Li'] |
mp-1185477 | LiTe3 | 2 | false | 1.676719 | 1.158469 | -0.868213 | false | 0.883164 | -0.500994 | ['Li', 'Te'] |
mp-1185526 | LiGd3 | 2 | false | 2.330609 | -7.463374 | -0.868213 | false | 1.920238 | -0.54474 | ['Gd', 'Li'] |
mp-1187126 | Sr3Li | 2 | false | 2.250927 | -1.336594 | -0.868213 | false | -0.916575 | -0.151153 | ['Li', 'Sr'] |
mp-1206724 | LiAs3 | 2 | false | 2.169514 | -1.262723 | -0.868213 | false | 0.93192 | -0.806111 | ['As', 'Li'] |
mp-568273 | LiI | 2 | false | 0.638654 | 1.209157 | 1.997192 | true | 0.266241 | -0.928721 | ['I', 'Li'] |
mp-865612 | LiCd3 | 2 | false | 1.959705 | -2.4926 | -0.868213 | false | 2.363522 | -0.784951 | ['Cd', 'Li'] |
mp-972125 | LiTb3 | 2 | false | 2.381653 | -4.801466 | -0.868213 | false | 2.018586 | -0.55268 | ['Li', 'Tb'] |
mp-973493 | LiLu3 | 2 | false | 2.365519 | -6.297104 | -0.868213 | false | 2.873736 | -0.604214 | ['Li', 'Lu'] |
mp-973415 | LiLa3 | 2 | false | 2.331169 | -4.492356 | -0.868213 | false | 1.151399 | -0.495563 | ['La', 'Li'] |
mp-975799 | LiZn3 | 2 | false | 1.996505 | -0.046877 | -0.868213 | false | 1.582653 | -0.919569 | ['Li', 'Zn'] |
mp-975321 | LiSi3 | 2 | false | 2.417514 | 0.857247 | -0.868213 | false | -0.778875 | -0.899967 | ['Li', 'Si'] |
mp-975649 | LiTm3 | 2 | false | 2.37156 | -5.651638 | -0.868213 | false | 2.557669 | -0.587588 | ['Li', 'Tm'] |
mp-1059612 | LiN | 2 | false | 3.262674 | 0.728624 | -0.868213 | false | -1.599571 | -1.164264 | ['Li', 'N'] |
mp-1103613 | LiB11 | 2 | false | 2.444214 | 0.171755 | -0.868213 | false | -0.877779 | -0.990637 | ['B', 'Li'] |
mp-1103394 | LiB11 | 2 | false | 3.029457 | 0.326101 | -0.868213 | false | -0.853705 | -0.994237 | ['B', 'Li'] |
mp-1009009 | LiF | 2 | false | -1.020346 | 0.469907 | 4.250163 | false | -0.792257 | -1.18968 | ['F', 'Li'] |
mp-1058798 | LiBe | 2 | false | 2.574353 | 1.398259 | -0.868213 | false | -1.712128 | -1.173933 | ['Be', 'Li'] |
mp-1094670 | LiMg3 | 2 | false | 2.163084 | 1.028812 | -0.868213 | false | -1.476513 | -0.990053 | ['Li', 'Mg'] |
mp-10890 | LiAl3 | 2 | false | 2.069072 | 0.446327 | -0.868213 | false | -0.980313 | -1.053728 | ['Al', 'Li'] |
mp-1094889 | LiMg | 2 | false | 2.121435 | 1.147132 | -0.868213 | false | -1.638642 | -1.122994 | ['Li', 'Mg'] |
mp-11248 | LiAu3 | 2 | false | 1.75174 | -9.180214 | -0.868213 | false | 7.640912 | -1.049192 | ['Au', 'Li'] |
mp-1184845 | K3Li | 2 | false | 2.301082 | 0.662853 | -0.868213 | false | -1.926415 | -0.554161 | ['K', 'Li'] |
mp-1185395 | LiPm3 | 2 | false | 2.342976 | -4.444814 | -0.868213 | false | 1.417209 | -0.877053 | ['Li', 'Pm'] |
mp-1185287 | LiAc3 | 2 | false | 2.355217 | -12.949482 | -0.868213 | false | 2.239108 | -0.773351 | ['Ac', 'Li'] |
mp-1185429 | LiTb3 | 2 | false | 2.378679 | -4.802251 | -0.868213 | false | 2.07398 | -0.899557 | ['Li', 'Tb'] |
mp-1185300 | LiAg3 | 2 | false | 2.039637 | -2.743727 | -0.868213 | false | 3.033194 | -1.046818 | ['Ag', 'Li'] |
mp-1185312 | LiCu3 | 2 | false | 2.166085 | -0.42349 | -0.868213 | false | 2.22042 | -1.10413 | ['Cu', 'Li'] |
mp-1185343 | LiCe3 | 2 | false | 2.463068 | -4.696039 | -0.868213 | false | 1.949791 | -0.930725 | ['Ce', 'Li'] |
mp-1185406 | LiPr3 | 2 | false | 2.327623 | -4.419125 | -0.868213 | false | 1.150804 | -0.86153 | ['Li', 'Pr'] |
mp-1185451 | LiSm3 | 2 | false | 2.351316 | -4.484463 | -0.868213 | false | 1.656381 | -0.885402 | ['Li', 'Sm'] |
mp-1185237 | LiW3 | 2 | false | 2.715967 | -9.096273 | -0.868213 | false | 7.669175 | -1.062129 | ['Li', 'W'] |
mp-1185240 | LiY3 | 2 | false | 2.389256 | -2.424712 | -0.868213 | false | 0.041516 | -0.893953 | ['Li', 'Y'] |
mp-1185416 | LiSb3 | 2 | false | 2.102897 | -3.673745 | -0.868213 | false | 1.518382 | -0.941659 | ['Li', 'Sb'] |
mp-1206794 | LiAu | 2 | false | 1.552682 | -5.73656 | -0.868213 | false | 5.206455 | -1.153366 | ['Au', 'Li'] |
mp-1211148 | LiPb3 | 2 | false | 2.471334 | 1.244137 | -0.868213 | false | 2.510629 | -0.836454 | ['Li', 'Pb'] |
mp-2012 | LiHg | 2 | false | 1.758006 | -5.505833 | -0.868213 | false | 3.892232 | -1.134144 | ['Hg', 'Li'] |
mp-2314 | LiPb | 2 | false | 1.872593 | 1.217068 | -0.868213 | false | 2.91105 | -1.111404 | ['Li', 'Pb'] |
mp-2426 | LiAg | 2 | false | 1.973178 | -1.385289 | -0.868213 | false | 1.675208 | -1.150126 | ['Ag', 'Li'] |
mp-2743 | LiPd | 2 | false | 1.736976 | -1.680364 | -0.868213 | false | 2.343616 | -1.163208 | ['Li', 'Pd'] |
mp-861936 | LiPd3 | 2 | false | 1.887875 | -3.132924 | -0.868213 | false | 3.834839 | -1.073193 | ['Li', 'Pd'] |
mp-861931 | LiPt3 | 2 | false | 1.642044 | -9.405594 | -0.868213 | false | 8.978481 | -1.072771 | ['Li', 'Pt'] |
mp-863257 | LiGa3 | 2 | false | 1.901605 | -0.622933 | -0.868213 | false | 1.044352 | -1.043045 | ['Ga', 'Li'] |
mp-863027 | LiIn3 | 2 | false | 1.939436 | -3.036228 | -0.868213 | false | 1.791058 | -0.975997 | ['In', 'Li'] |
mp-934 | LiTl | 2 | false | 1.890502 | -6.023838 | -0.868213 | false | 3.25341 | -1.120502 | ['Li', 'Tl'] |
mp-973732 | LiHo3 | 2 | false | 2.391963 | -5.158873 | -0.868213 | false | 2.338548 | -0.906114 | ['Ho', 'Li'] |
mp-973191 | LiTl3 | 2 | false | 2.076253 | -9.659188 | -0.868213 | false | 4.128546 | -0.938451 | ['Li', 'Tl'] |
mp-974060 | LiDy3 | 2 | false | 2.385936 | -4.964713 | -0.868213 | false | 2.212926 | -0.902234 | ['Dy', 'Li'] |
mp-974938 | Rb3Li | 2 | false | 2.331396 | 1.801768 | -0.868213 | false | -1.467071 | -0.427406 | ['Li', 'Rb'] |
mp-976424 | LiLa3 | 2 | false | 2.334234 | -4.491548 | -0.868213 | false | 1.002135 | -0.851072 | ['La', 'Li'] |
mp-976599 | LiHg3 | 2 | false | 1.983176 | -8.854312 | -0.868213 | false | 5.275758 | -0.987305 | ['Hg', 'Li'] |
mp-1079855 | LiPd7 | 2 | false | 1.99519 | -3.8508 | -0.868213 | false | 4.602377 | -0.898967 | ['Li', 'Pd'] |
mp-1097725 | LiO2 | 2 | false | 1.687655 | 0.842121 | -0.868213 | false | -0.771318 | -1.166264 | ['Li', 'O'] |
mp-1138 | LiF | 2 | false | -1.336693 | 0.386477 | 5.033428 | false | -0.817887 | -1.188945 | ['F', 'Li'] |
mp-1094603 | LiMg3 | 2 | false | 2.15054 | 1.025504 | -0.868213 | false | -1.460978 | -0.260473 | ['Li', 'Mg'] |
mp-1184876 | K3Li | 2 | false | 2.296362 | 0.661608 | -0.868213 | false | -1.903503 | -0.580039 | ['K', 'Li'] |
mp-1185245 | LiY3 | 2 | false | 2.383912 | -2.426121 | -0.868213 | false | 0.051186 | -0.895253 | ['Li', 'Y'] |
mp-1185480 | LiPu3 | 2 | false | 3.044207 | -16.623591 | -0.868213 | false | 8.701185 | -1.026685 | ['Li', 'Pu'] |
mp-1185274 | LiNp3 | 2 | false | 2.655896 | -16.000891 | -0.868213 | false | 10.034421 | -1.054532 | ['Li', 'Np'] |
mp-1185410 | LiRe3 | 2 | false | 2.399364 | -9.4067 | -0.868213 | false | 8.520909 | -1.073656 | ['Li', 'Re'] |
mp-22899 | LiI | 2 | false | 0.638519 | 1.209121 | 1.996312 | true | 0.285719 | -1.084514 | ['I', 'Li'] |
mp-22905 | LiCl | 2 | false | -0.056803 | 0.284968 | 3.36364 | true | -1.077119 | -1.143175 | ['Cl', 'Li'] |
mp-23259 | LiBr | 2 | false | 0.162788 | 1.067274 | 2.465404 | true | -0.121434 | -1.121465 | ['Br', 'Li'] |
mp-23703 | LiH | 2 | false | 1.633323 | 1.122013 | 1.150212 | true | -1.964807 | -1.191299 | ['H', 'Li'] |
mp-30765 | LiPt7 | 2 | false | 1.839865 | -11.13424 | -0.868213 | false | 10.329462 | -0.895185 | ['Li', 'Pt'] |
mp-32641 | LiS | 2 | false | 1.341771 | 1.015316 | -0.868213 | false | -1.143015 | -1.14655 | ['Li', 'S'] |
mp-865907 | LiZn3 | 2 | false | 1.990613 | -0.048431 | -0.868213 | false | 1.620419 | -1.080316 | ['Li', 'Zn'] |
mp-973824 | LiHg3 | 2 | false | 1.979109 | -8.855385 | -0.868213 | false | 5.183425 | -0.984294 | ['Hg', 'Li'] |
mp-973940 | LiCd3 | 2 | false | 1.977116 | -2.488008 | -0.868213 | false | 2.364243 | -1.011584 | ['Cd', 'Li'] |
mp-974058 | LiCu3 | 2 | false | 2.187425 | -0.417862 | -0.868213 | false | 2.205851 | -1.103716 | ['Cu', 'Li'] |
mp-974950 | Rb3Li | 2 | false | 2.329603 | 1.801295 | -0.868213 | false | -1.439067 | -0.448623 | ['Li', 'Rb'] |
mp-980190 | LiYb3 | 2 | false | 2.380122 | -5.955847 | -0.868213 | false | 2.913589 | -0.926931 | ['Li', 'Yb'] |
mp-1193737 | LiZn13 | 2 | false | 2.109591 | -0.355069 | -0.868213 | false | 1.860161 | 0.020708 | ['Li', 'Zn'] |
mp-1067 | LiAl | 2 | false | 1.942344 | 0.728106 | -0.868213 | false | -1.319829 | -1.055138 | ['Al', 'Li'] |
mp-1001831 | LiB | 2 | false | 2.342064 | 0.744411 | 0.300794 | true | -1.106348 | -1.156953 | ['B', 'Li'] |
mp-1211134 | LiAl2 | 2 | false | 2.421458 | 0.644328 | -0.868213 | false | -1.283211 | -0.600627 | ['Al', 'Li'] |
mp-1211157 | LiCa4 | 2 | false | 2.515714 | 0.430005 | -0.868213 | false | -1.597529 | -0.060944 | ['Ca', 'Li'] |
mp-1210887 | LiGa2 | 2 | false | 2.075007 | -0.358235 | -0.868213 | false | 0.271313 | -0.56254 | ['Ga', 'Li'] |
mp-1210993 | LiIn2 | 2 | false | 2.096484 | -2.506591 | -0.868213 | false | 1.12582 | -0.402969 | ['In', 'Li'] |
mp-1210982 | LiZn2 | 2 | false | 2.273043 | 0.183795 | -0.868213 | false | 0.350572 | -0.619982 | ['Li', 'Zn'] |
mp-1222271 | LiSi | 2 | false | 2.305502 | 1.082775 | -0.868213 | false | -1.217542 | -1.064148 | ['Li', 'Si'] |
mp-1307 | LiGa | 2 | false | 1.75378 | -0.005019 | -0.868213 | false | 0.400324 | -1.069083 | ['Ga', 'Li'] |
mp-1437 | LiCd | 2 | false | 1.868334 | -1.231468 | -0.868213 | false | 1.070254 | -1.024206 | ['Cd', 'Li'] |
mp-1934 | LiZn | 2 | false | 1.929552 | 0.408689 | -0.868213 | false | 0.372151 | -1.077037 | ['Li', 'Zn'] |
mp-22460 | LiIn | 2 | false | 1.768713 | -1.616596 | -0.868213 | false | 0.906363 | -1.009419 | ['In', 'Li'] |
mp-30764 | LiPt2 | 2 | false | 1.626105 | -8.222586 | -0.868213 | false | 6.272188 | -0.947998 | ['Li', 'Pt'] |
mp-27466 | LiTe3 | 2 | false | 1.404876 | 1.086776 | -0.716746 | false | 1.106614 | 2.911447 | ['Li', 'Te'] |
mp-1016222 | LiMg3 | 2 | false | 2.149148 | 1.025137 | -0.868213 | false | -1.485657 | -0.987837 | ['Li', 'Mg'] |
mp-2412 | LiP5 | 2 | false | 1.908707 | -0.24989 | 0.057581 | true | -0.947605 | 0.091586 | ['Li', 'P'] |
mp-32760 | LiP5 | 2 | false | 2.006196 | -0.22418 | -0.491476 | false | -0.98342 | 0.1228 | ['Li', 'P'] |
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