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-1831091 | Li(CoS2)2 | 3 | true | 1.44072 | 0.5621 | -0.868213 | false | 0.115527 | -0.619505 | ['Co', 'Li', 'S'] |
mp-636380 | Li(MoO2)2 | 3 | false | -0.014915 | -0.263765 | 0.090691 | true | 0.709487 | -0.714231 | ['Li', 'Mo', 'O'] |
mp-655591 | LiB13C2 | 3 | false | 2.003886 | 0.123277 | 0.922843 | true | -0.960256 | -0.527687 | ['B', 'C', 'Li'] |
mp-752531 | Li(NiO2)2 | 3 | true | 0.881184 | 0.392489 | -0.868213 | false | 0.630948 | -0.85334 | ['Li', 'Ni', 'O'] |
mp-755200 | LiNiO2 | 3 | true | 0.58269 | 0.416866 | -0.868213 | false | 0.650283 | -0.8416 | ['Li', 'Ni', 'O'] |
mp-753568 | LiVF4 | 3 | false | -1.271728 | 0.301573 | 0.685927 | true | -0.61344 | -0.785029 | ['F', 'Li', 'V'] |
mp-752807 | Li(CoO2)2 | 3 | true | 0.592383 | 0.204138 | -0.332562 | false | 0.726721 | -0.863779 | ['Co', 'Li', 'O'] |
mp-755052 | LiV2O4 | 3 | false | -0.465958 | -0.236671 | -0.868213 | false | 0.070625 | -0.808319 | ['Li', 'O', 'V'] |
mp-756894 | LiVO2 | 3 | false | -0.488234 | -0.105212 | 0.119197 | true | 0.057585 | -0.788785 | ['Li', 'O', 'V'] |
mp-756527 | LiFeO2 | 3 | true | 0.117255 | 0.099002 | -0.661292 | false | 0.337712 | -0.810899 | ['Fe', 'Li', 'O'] |
mp-756996 | LiV2F7 | 3 | false | -1.328736 | 0.217098 | 0.383061 | true | -0.650149 | -0.403541 | ['F', 'Li', 'V'] |
mp-772030 | LiTiO2 | 3 | false | -1.093596 | -0.178659 | -0.868213 | false | 0.255888 | -0.835281 | ['Li', 'O', 'Ti'] |
mp-760594 | LiTi2O4 | 3 | false | -1.314927 | -0.362049 | -0.868213 | false | -0.042096 | -0.804672 | ['Li', 'O', 'Ti'] |
mp-853240 | LiCoO2 | 3 | true | 0.291771 | 0.24198 | 0.407369 | true | 0.625874 | -0.83753 | ['Co', 'Li', 'O'] |
mp-775331 | LiVO2 | 3 | false | -0.542431 | -0.119505 | -0.281102 | false | 0.149721 | -0.804356 | ['Li', 'O', 'V'] |
mp-773564 | LiMnF4 | 3 | true | -1.036246 | 0.3599 | -0.024551 | false | -0.254068 | -0.845868 | ['F', 'Li', 'Mn'] |
mp-8204 | LiAlB14 | 3 | false | 1.96153 | 0.025617 | -0.868213 | false | -0.827013 | -0.531436 | ['Al', 'B', 'Li'] |
mp-764354 | LiMnF5 | 3 | true | -0.695398 | 0.499829 | 0.289825 | true | -0.486032 | -0.243125 | ['F', 'Li', 'Mn'] |
mp-1003637 | LiMn3O6 | 3 | true | 0.006032 | -0.173926 | -0.639964 | false | 0.398257 | -0.942705 | ['Li', 'Mn', 'O'] |
mp-1185468 | LiMg17Al11 | 3 | false | 2.166411 | 1.401456 | -0.868213 | false | -1.14792 | 0.451503 | ['Al', 'Li', 'Mg'] |
mp-1222451 | LiZrN2 | 3 | false | 0.99751 | -1.34584 | -0.868213 | false | 0.22603 | -1.090154 | ['Li', 'N', 'Zr'] |
mp-1232996 | Li(CoO2)2 | 3 | true | 0.714069 | 0.23623 | -0.55966 | false | 0.187107 | -1.013501 | ['Co', 'Li', 'O'] |
mp-1235037 | LiV6O15 | 3 | false | -0.378241 | -0.283839 | -0.700767 | false | -0.336847 | -0.42208 | ['Li', 'O', 'V'] |
mp-1235080 | LiNi9O13 | 3 | true | 1.158593 | 0.352525 | -0.868213 | false | 0.981776 | -0.555184 | ['Li', 'Ni', 'O'] |
mp-1235348 | LiV6O15 | 3 | false | -0.367373 | -0.280973 | -0.530545 | false | -0.27279 | -0.445455 | ['Li', 'O', 'V'] |
mp-1235089 | LiTi4O8 | 3 | false | -1.494611 | -0.486372 | -0.868213 | false | -0.120584 | -0.79975 | ['Li', 'O', 'Ti'] |
mp-1235587 | LiNi9O13 | 3 | true | 1.104616 | 0.33829 | -0.868213 | false | 1.162305 | -0.588766 | ['Li', 'Ni', 'O'] |
mp-1235282 | LiNi9O13 | 3 | true | 1.199846 | 0.363405 | -0.868213 | false | 1.081051 | -0.574069 | ['Li', 'Ni', 'O'] |
mp-1235108 | LiHo2O3 | 3 | false | -1.262671 | -0.049047 | -0.868213 | false | 2.685321 | -1.000498 | ['Ho', 'Li', 'O'] |
mp-1235427 | LiV6O15 | 3 | false | -0.338366 | -0.273323 | -0.6661 | false | -0.376606 | -0.406865 | ['Li', 'O', 'V'] |
mp-1235817 | LiNi9O13 | 3 | true | 1.207341 | 0.365382 | -0.868213 | false | 1.096438 | -0.576903 | ['Li', 'Ni', 'O'] |
mp-1235745 | Li(CoO2)2 | 3 | true | 0.708705 | 0.234815 | -0.868213 | false | 0.436092 | -1.032493 | ['Co', 'Li', 'O'] |
mp-1236486 | LiCe2O3 | 3 | false | -1.122224 | -0.141536 | -0.868213 | false | 1.505542 | -0.970317 | ['Ce', 'Li', 'O'] |
mp-1281247 | LiMn4O8 | 3 | true | 0.051315 | -0.191737 | -0.747148 | false | 0.1942 | -0.817234 | ['Li', 'Mn', 'O'] |
mp-1277859 | LiMn3O4 | 3 | true | -0.076589 | -0.265374 | -0.417876 | false | 0.54501 | -0.742876 | ['Li', 'Mn', 'O'] |
mp-1299546 | LiNiO2 | 3 | true | 0.567646 | 0.412899 | -0.868213 | false | 0.66058 | -0.447626 | ['Li', 'Ni', 'O'] |
mp-25542 | LiMnO2 | 3 | true | -0.180372 | -0.029686 | 0.141067 | true | 0.12307 | -1.009315 | ['Li', 'Mn', 'O'] |
mp-2411688 | LiFe2O3 | 3 | true | 0.267954 | -0.019895 | -0.358427 | false | 0.535702 | -1.062586 | ['Fe', 'Li', 'O'] |
mp-25587 | LiNiO2 | 3 | true | 0.565957 | 0.412454 | -0.868213 | false | 0.367718 | -1.129274 | ['Li', 'Ni', 'O'] |
mp-531604 | LiMnO2 | 3 | true | -0.186569 | -0.03132 | -0.009519 | false | 0.1684 | 1.011453 | ['Li', 'Mn', 'O'] |
mp-676210 | LiTiCl3 | 3 | false | 0.279651 | -0.347834 | -0.856228 | false | -1.178366 | 0.315973 | ['Cl', 'Li', 'Ti'] |
mp-676566 | LiNbAs2 | 3 | false | 1.661646 | 0.428281 | -0.868213 | false | 1.27563 | 0.031726 | ['As', 'Li', 'Nb'] |
mp-685250 | LiMn16O32 | 3 | true | 0.263415 | -0.208667 | -0.868213 | false | 0.245527 | 0.38989 | ['Li', 'Mn', 'O'] |
mp-753480 | LiV3O8 | 3 | false | -0.305092 | -0.203874 | -0.170329 | false | -0.325363 | -0.81541 | ['Li', 'O', 'V'] |
mp-754937 | LiTi3O6 | 3 | false | -1.449535 | -0.447557 | -0.868213 | false | 0.085515 | -0.933322 | ['Li', 'O', 'Ti'] |
mp-753694 | LiVF6 | 3 | false | -1.041472 | 0.448921 | 1.323481 | true | -0.950523 | -0.88438 | ['F', 'Li', 'V'] |
mp-760833 | LiFeO3 | 3 | true | 0.594508 | 0.231875 | -0.660615 | false | -0.180948 | 0.5937 | ['Fe', 'Li', 'O'] |
mp-763344 | LiV3O8 | 3 | false | -0.329664 | -0.210354 | -0.082239 | false | -0.355214 | -0.809551 | ['Li', 'O', 'V'] |
mp-773044 | LiCuO2 | 3 | false | 0.602999 | 0.544152 | -0.673886 | false | 0.091887 | -0.985337 | ['Cu', 'Li', 'O'] |
mp-867741 | LiCuF4 | 3 | false | -0.132685 | 0.259144 | -0.868213 | false | -0.345525 | -0.369369 | ['Cu', 'F', 'Li'] |
mp-973924 | Li(Mg4Al3)4 | 3 | false | 2.153787 | 1.376965 | -0.868213 | false | -1.134461 | 0.441206 | ['Al', 'Li', 'Mg'] |
mp-1235526 | LiCr2O4 | 3 | false | -0.130093 | -0.195275 | -0.868213 | false | 0.388312 | -1.044463 | ['Cr', 'Li', 'O'] |
mp-23702 | LiH2N | 3 | false | 1.522014 | 0.704303 | 1.255026 | true | -1.688469 | -0.879071 | ['H', 'Li', 'N'] |
mp-752483 | LiBiF5 | 3 | false | -0.537989 | -1.77482 | -0.868213 | false | 0.646123 | -0.922029 | ['Bi', 'F', 'Li'] |
mp-752948 | LiAg2F4 | 3 | false | 0.32854 | -0.762207 | -0.868213 | false | -0.043905 | -0.849477 | ['Ag', 'F', 'Li'] |
mp-759035 | LiVF5 | 3 | false | -1.159373 | 0.380703 | 0.529043 | true | -0.905166 | -0.626617 | ['F', 'Li', 'V'] |
mp-555562 | LiIO3 | 3 | false | 0.809868 | 0.691745 | 1.551865 | true | -0.114139 | 0.710491 | ['I', 'Li', 'O'] |
mp-23384 | LiIO3 | 3 | false | 0.646961 | 0.648781 | 1.697035 | true | 0.337522 | 0.40131 | ['I', 'Li', 'O'] |
mp-759042 | LiMnF3 | 3 | true | -1.093795 | 0.274669 | 1.342575 | true | -0.359284 | 0.180968 | ['F', 'Li', 'Mn'] |
mp-776027 | LiFeF3 | 3 | true | -0.829197 | 0.384607 | 1.272766 | true | -0.263279 | 0.130667 | ['F', 'Fe', 'Li'] |
mp-776026 | LiFeF3 | 3 | true | -0.819619 | 0.387133 | 1.329778 | true | -0.301088 | 0.154107 | ['F', 'Fe', 'Li'] |
mp-1222581 | LiCo4O5 | 3 | true | 0.708923 | 0.124614 | -0.868213 | false | 1.283984 | -0.965245 | ['Co', 'Li', 'O'] |
mp-677318 | LiNi4O5 | 3 | true | 0.724518 | 0.285787 | -0.868213 | false | 1.442733 | -0.976987 | ['Li', 'Ni', 'O'] |
mp-1176639 | LiMnF4 | 3 | true | -1.054791 | 0.355009 | -0.868213 | false | -0.359147 | 0.407665 | ['F', 'Li', 'Mn'] |
mp-1195868 | LiCeF5 | 3 | false | -2.02329 | 0.283304 | 0.682067 | true | 0.543881 | 0.796604 | ['Ce', 'F', 'Li'] |
mp-1196169 | LiThF5 | 3 | false | -2.332681 | -2.868756 | 3.542597 | true | 1.454811 | 0.92416 | ['F', 'Li', 'Th'] |
mp-1211149 | LiAlH2 | 3 | false | 2.291129 | 0.980294 | -0.868213 | false | -1.592372 | -0.735093 | ['Al', 'H', 'Li'] |
mp-1211242 | LiBiF2 | 3 | false | -0.181354 | -3.379276 | -0.66075 | false | 1.946547 | -0.506865 | ['Bi', 'F', 'Li'] |
mp-28122 | LiGdCl4 | 3 | false | -0.407475 | -1.972791 | -0.254425 | false | -0.043223 | -0.441942 | ['Cl', 'Gd', 'Li'] |
mp-27403 | LiUF5 | 3 | false | -2.031229 | -3.0573 | -0.768138 | false | 1.728971 | 0.820559 | ['F', 'Li', 'U'] |
mp-28567 | LiBiF4 | 3 | false | -0.925967 | -2.254587 | 2.413877 | true | 1.705294 | -0.793729 | ['Bi', 'F', 'Li'] |
mp-3700 | LiYF4 | 3 | false | -2.289853 | -0.767558 | 4.436229 | false | 0.179256 | -0.828029 | ['F', 'Li', 'Y'] |
mp-559598 | LiScF4 | 3 | false | -2.055612 | -0.274665 | 3.271352 | true | -0.328768 | -0.861803 | ['F', 'Li', 'Sc'] |
mp-758091 | LiVF4 | 3 | false | -1.282767 | 0.298662 | 1.196322 | true | -0.094204 | -0.882455 | ['F', 'Li', 'V'] |
mp-754662 | LiFeF4 | 3 | true | -0.844311 | 0.443982 | 1.576783 | true | -0.289036 | -0.837068 | ['F', 'Fe', 'Li'] |
mp-758890 | LiAg2F4 | 3 | false | 0.290384 | -0.77227 | -0.868213 | false | 0.694068 | -0.639895 | ['Ag', 'F', 'Li'] |
mp-766948 | LiMn10O20 | 3 | true | 0.15891 | -0.22095 | -0.868213 | false | 0.229262 | 0.815087 | ['Li', 'Mn', 'O'] |
mp-759023 | LiMnF3 | 3 | true | -1.1109 | 0.270158 | 1.464655 | true | -0.249454 | 1.462133 | ['F', 'Li', 'Mn'] |
mp-776762 | LiVF5 | 3 | false | -1.213873 | 0.36633 | 0.490246 | true | -0.539366 | 0.753711 | ['F', 'Li', 'V'] |
mp-761149 | LiMnF5 | 3 | true | -0.771705 | 0.479705 | 0.380489 | true | -0.453933 | 0.720818 | ['F', 'Li', 'Mn'] |
mp-776770 | LiFeF5 | 3 | true | -0.479457 | 0.585462 | -0.580582 | false | -0.505334 | 0.782686 | ['F', 'Fe', 'Li'] |
mp-777683 | LiFeF3 | 3 | true | -0.811805 | 0.389194 | 1.264099 | true | -0.171943 | 1.392498 | ['F', 'Fe', 'Li'] |
mp-976291 | LiAlH4 | 3 | false | 1.940889 | 0.941327 | 1.845048 | true | -1.721558 | -0.928938 | ['Al', 'H', 'Li'] |
mp-1016095 | LiMn2O4 | 3 | true | -0.038547 | -0.130425 | -0.868213 | false | 0.378294 | -0.032777 | ['Li', 'Mn', 'O'] |
mp-1087524 | LiH2N | 3 | false | 1.627337 | 0.73208 | 1.017365 | true | -1.7635 | -1.040543 | ['H', 'Li', 'N'] |
mp-1078724 | LiAsSe2 | 3 | false | 1.462014 | -1.391866 | -0.36012 | false | 0.44579 | -0.717496 | ['As', 'Li', 'Se'] |
mp-1178106 | Li(FeO2)2 | 3 | true | 0.355212 | 0.030786 | -0.868213 | false | 0.387991 | -0.429223 | ['Fe', 'Li', 'O'] |
mp-1176672 | LiMn3O6 | 3 | true | -0.006248 | -0.177165 | -0.465408 | false | 0.182266 | 0.03847 | ['Li', 'Mn', 'O'] |
mp-1226095 | LiGaO10 | 3 | false | 1.902593 | 0.724785 | -0.828874 | false | -0.989675 | 0.760527 | ['Ga', 'Li', 'O'] |
mp-1644676 | LiNi2O3 | 3 | true | 0.634855 | 0.337022 | -0.868213 | false | 1.054513 | -0.617619 | ['Li', 'Ni', 'O'] |
mp-2759992 | LiCu2F7 | 3 | false | 0.06282 | 0.221731 | -0.676121 | false | 0.39957 | -0.649137 | ['Cu', 'F', 'Li'] |
mp-555874 | LiAsS2 | 3 | false | 1.230728 | 0.785742 | -0.146157 | false | -0.468745 | -0.77906 | ['As', 'Li', 'S'] |
mp-675419 | LiPrS2 | 3 | false | -0.025862 | 0.44525 | 0.410416 | true | 0.03013 | -0.702523 | ['Li', 'Pr', 'S'] |
mp-753112 | LiMn3O6 | 3 | true | 0.032743 | -0.166882 | -0.332359 | false | 0.083385 | -0.575494 | ['Li', 'Mn', 'O'] |
mp-753567 | LiVF6 | 3 | false | -1.064825 | 0.442762 | 1.343184 | true | -0.99273 | -0.510917 | ['F', 'Li', 'V'] |
mp-753503 | LiMn2F7 | 3 | true | -0.911553 | 0.322588 | 0.284273 | true | -0.350554 | -0.495621 | ['F', 'Li', 'Mn'] |
mp-753154 | Li(FeO2)3 | 3 | true | 0.512816 | 0.019962 | -0.586202 | false | 0.077126 | -0.56714 | ['Fe', 'Li', 'O'] |
mp-755562 | LiMnO2 | 3 | true | -0.165484 | -0.025759 | -0.868213 | false | 0.155018 | -0.785969 | ['Li', 'Mn', 'O'] |
mp-752973 | LiMnF4 | 3 | true | -0.993844 | 0.371082 | 1.043366 | true | -0.306337 | -0.83656 | ['F', 'Li', 'Mn'] |
mp-761166 | LiFeF3 | 3 | true | -0.904684 | 0.364699 | 1.560465 | true | -0.159674 | -0.911035 | ['F', 'Fe', 'Li'] |
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