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-1099095 | LiCeMg14 | 3 | false | 2.221312 | 0.463527 | -0.868213 | false | -1.077149 | -0.146375 | ['Ce', 'Li', 'Mg'] |
mp-1099277 | LiMg6Fe | 3 | true | 2.350995 | 1.427543 | -0.868213 | false | -1.058362 | -0.776832 | ['Fe', 'Li', 'Mg'] |
mp-1099313 | LiMg6Ga | 3 | false | 2.124421 | 1.565159 | -0.868213 | false | -1.053808 | -0.747683 | ['Ga', 'Li', 'Mg'] |
mp-1099284 | LiMg6Co | 3 | true | 2.322112 | 0.677329 | -0.868213 | false | -0.999452 | -0.788272 | ['Co', 'Li', 'Mg'] |
mp-1099290 | LiMg6Ni | 3 | true | 2.227951 | 1.492651 | -0.868213 | false | -1.035724 | -0.777718 | ['Li', 'Mg', 'Ni'] |
mp-1099308 | BaLiMg6 | 3 | false | 2.319628 | 1.656867 | -0.868213 | false | -1.035894 | -0.606433 | ['Ba', 'Li', 'Mg'] |
mp-1099310 | LiMg6W | 3 | false | 2.536535 | -0.649166 | -0.868213 | false | -0.180281 | -0.774452 | ['Li', 'Mg', 'W'] |
mp-1181180 | LiUO3 | 3 | false | -1.283379 | -0.427101 | -0.603197 | false | 1.406147 | -0.758047 | ['Li', 'O', 'U'] |
mp-1222416 | LiZr4Ge | 3 | false | 1.993632 | 0.095264 | -0.868213 | false | 1.512377 | -0.883576 | ['Ge', 'Li', 'Zr'] |
mp-1235016 | LiCr2O4 | 3 | false | -0.071809 | -0.179904 | -0.811269 | false | 0.102366 | -1.023255 | ['Cr', 'Li', 'O'] |
mp-1235293 | LiTi3O4 | 3 | false | -0.993619 | -0.369416 | -0.868213 | false | 0.656271 | -1.020716 | ['Li', 'O', 'Ti'] |
mp-1235399 | LiTi3O4 | 3 | false | -0.428089 | -0.22027 | -0.868213 | false | 0.175088 | -0.981738 | ['Li', 'O', 'Ti'] |
mp-1246674 | LiMnN | 3 | true | 1.962441 | 0.179127 | -0.868213 | false | -0.137219 | -1.135511 | ['Li', 'Mn', 'N'] |
mp-1236354 | LiV4O8 | 3 | false | -0.493547 | -0.32846 | -0.305546 | false | -0.09021 | -0.788945 | ['Li', 'O', 'V'] |
mp-606711 | Cs3LiCl4 | 3 | false | -0.121807 | -2.204423 | 2.431414 | true | -0.405426 | -0.403271 | ['Cl', 'Cs', 'Li'] |
mp-569450 | LiB6C | 3 | false | 1.903103 | 0.183207 | 0.074441 | true | -0.942421 | -0.894887 | ['B', 'C', 'Li'] |
mp-760476 | LiU3O8 | 3 | false | -1.741275 | -0.742761 | -0.835035 | false | 3.00367 | -0.744074 | ['Li', 'O', 'U'] |
mp-760814 | LiCuF3 | 3 | false | -0.349905 | 0.134335 | -0.868213 | false | -0.013514 | -0.58264 | ['Cu', 'F', 'Li'] |
mp-777672 | LiFeF3 | 3 | true | -0.854988 | 0.377805 | 1.304793 | true | -0.314328 | -0.887986 | ['F', 'Fe', 'Li'] |
mp-778819 | LiMnF3 | 3 | true | -1.096533 | 0.273946 | 1.488354 | true | -0.436513 | -0.87015 | ['F', 'Li', 'Mn'] |
mp-625998 | LiHO | 3 | false | 0.219197 | 0.605027 | 2.022109 | true | -1.589144 | -1.071126 | ['H', 'Li', 'O'] |
mp-753599 | LiVF6 | 3 | false | -1.046116 | 0.447696 | 1.273985 | true | -0.701384 | -0.628123 | ['F', 'Li', 'V'] |
mp-759929 | LiMn2F7 | 3 | true | -0.943425 | 0.314182 | -0.595885 | false | -0.300901 | 0.213515 | ['F', 'Li', 'Mn'] |
mp-759560 | LiTi6O12 | 3 | false | -1.525913 | -0.522971 | -0.868213 | false | -0.017739 | 0.013818 | ['Li', 'O', 'Ti'] |
mp-759459 | LiVF4 | 3 | false | -1.343471 | 0.282653 | 0.718427 | true | -0.601647 | -0.78783 | ['F', 'Li', 'V'] |
mp-765480 | LiVF5 | 3 | false | -1.185756 | 0.373745 | 0.576237 | true | -0.901765 | -0.017672 | ['F', 'Li', 'V'] |
mp-774082 | Li(CoO2)2 | 3 | true | 0.514316 | 0.18355 | -0.417334 | false | 0.687897 | 0.277517 | ['Co', 'Li', 'O'] |
mp-777862 | LiMnF4 | 3 | true | -0.986336 | 0.373062 | -0.188543 | false | -0.484469 | 1.383382 | ['F', 'Li', 'Mn'] |
mp-1095543 | LiBH4 | 3 | false | 1.701387 | 0.915413 | 2.802937 | true | -2.027826 | -0.947744 | ['B', 'H', 'Li'] |
mp-644271 | LiHS | 3 | false | 1.143255 | 0.927029 | 1.689655 | true | -1.560783 | -0.967425 | ['H', 'Li', 'S'] |
mp-1407369 | LiCuS | 3 | false | 1.176858 | 0.867799 | 0.211891 | true | -0.268166 | -0.650907 | ['Cu', 'Li', 'S'] |
mp-1102755 | LiBeB | 3 | false | 2.37097 | 0.97176 | -0.672735 | false | -1.183174 | -0.979128 | ['B', 'Be', 'Li'] |
mp-1176591 | LiNO2 | 3 | false | 0.809618 | 0.291154 | -0.868077 | false | -1.126636 | -1.115285 | ['Li', 'N', 'O'] |
mp-25316 | LiNiO2 | 3 | true | 0.825099 | 0.480797 | -0.868213 | false | -0.10151 | -1.108055 | ['Li', 'Ni', 'O'] |
mp-675692 | LiTi2O4 | 3 | false | -1.348698 | -0.370956 | -0.868213 | false | 0.090328 | -1.032452 | ['Li', 'O', 'Ti'] |
mp-638070 | LiB13C2 | 3 | false | 1.991124 | 0.119912 | 0.96726 | true | -0.969215 | -0.523554 | ['B', 'C', 'Li'] |
mp-996988 | LiAgO2 | 3 | false | 1.007794 | 0.742034 | -0.794409 | false | 0.654119 | -1.08926 | ['Ag', 'Li', 'O'] |
mp-1079676 | LiBeH3 | 3 | false | 1.817938 | 1.099367 | 2.281843 | true | -2.042224 | -0.97736 | ['Be', 'H', 'Li'] |
mp-1180222 | Na5LiN2 | 3 | false | 2.288807 | 1.225001 | -0.868213 | false | -1.436437 | -0.78983 | ['Li', 'N', 'Na'] |
mp-1222392 | LiUI6 | 3 | false | 0.892574 | 0.963755 | -0.419162 | false | 0.769404 | -0.253377 | ['I', 'Li', 'U'] |
mp-1222710 | LiV5O10 | 3 | false | -0.504517 | -0.34984 | -0.517815 | false | 0.132745 | -0.726138 | ['Li', 'O', 'V'] |
mp-1222384 | LiTi4O8 | 3 | false | -1.479486 | -0.482383 | -0.868213 | false | -0.08692 | -0.805843 | ['Li', 'O', 'Ti'] |
mp-1280939 | LiCr2O3 | 3 | false | -0.219514 | -0.262872 | 0.047154 | true | 0.477074 | -0.896668 | ['Cr', 'Li', 'O'] |
mp-1274324 | LiMn3O4 | 3 | true | -0.066788 | -0.262789 | -0.868213 | false | 0.531056 | -0.740603 | ['Li', 'Mn', 'O'] |
mp-1235054 | Li(SiO2)6 | 3 | false | -1.153901 | -0.19853 | -0.868213 | false | -0.974795 | -0.469862 | ['Li', 'O', 'Si'] |
mp-1235567 | LiV4O8 | 3 | false | -0.285048 | -0.273473 | -0.138032 | false | -0.274878 | -0.751817 | ['Li', 'O', 'V'] |
mp-1639919 | LiMn2O3 | 3 | true | -0.110249 | -0.186565 | -0.708892 | false | 0.471108 | -0.528484 | ['Li', 'Mn', 'O'] |
mp-568700 | Na5LiN2 | 3 | false | 2.519175 | 1.285756 | -0.299046 | false | -1.063748 | -0.90543 | ['Li', 'N', 'Na'] |
mp-752767 | LiAgF2 | 3 | false | -0.173269 | -0.68266 | 0.393421 | true | 0.826362 | -1.09118 | ['Ag', 'F', 'Li'] |
mp-753234 | LiMn7O12 | 3 | true | 0.044144 | -0.269098 | -0.596629 | false | 0.335641 | -0.580127 | ['Li', 'Mn', 'O'] |
mp-758753 | LiMn6O12 | 3 | true | 0.119144 | -0.205169 | -0.868213 | false | 0.108445 | 0.705264 | ['Li', 'Mn', 'O'] |
mp-758278 | LiMn3O6 | 3 | true | 0.098794 | -0.149462 | -0.868213 | false | 0.240617 | 0.011379 | ['Li', 'Mn', 'O'] |
mp-763200 | LiVO3 | 3 | false | -0.405619 | -0.067511 | 0.488011 | true | -0.331571 | -0.926171 | ['Li', 'O', 'V'] |
mp-763784 | LiMn2F6 | 3 | true | -0.994842 | 0.253904 | -0.215356 | false | -0.263121 | -0.908474 | ['F', 'Li', 'Mn'] |
mp-770104 | LiMn4O8 | 3 | true | 0.124766 | -0.172366 | -0.868213 | false | 0.253598 | -0.826283 | ['Li', 'Mn', 'O'] |
mp-1176631 | LiMnF3 | 3 | true | -1.141516 | 0.262083 | -0.857515 | false | -0.362409 | -0.882854 | ['F', 'Li', 'Mn'] |
mp-1222502 | LiBrO | 3 | false | 1.454164 | 1.100771 | -0.868213 | false | -0.385073 | -0.927484 | ['Br', 'Li', 'O'] |
mp-1210950 | LiHoW2 | 3 | false | 2.958466 | -7.69137 | -0.868213 | false | 5.577011 | -0.810028 | ['Ho', 'Li', 'W'] |
mp-1213037 | KLiAs | 3 | false | 2.359525 | 1.415309 | -0.868213 | false | -1.84594 | 1.102429 | ['As', 'K', 'Li'] |
mp-29985 | LiNb6Cl19 | 3 | false | 0.512928 | -1.313236 | -0.35687 | false | -0.387608 | 2.50594 | ['Cl', 'Li', 'Nb'] |
mp-757158 | LiTa3O8 | 3 | false | -1.363549 | -0.684891 | 0.62641 | true | 2.479673 | 0.505254 | ['Li', 'O', 'Ta'] |
mp-760799 | LiCu3F10 | 3 | false | 0.284553 | 0.242077 | -0.868213 | false | -0.14953 | -0.184293 | ['Cu', 'F', 'Li'] |
mp-752482 | LiV3F10 | 3 | false | -1.269414 | 0.202982 | 0.323206 | true | -0.497683 | -0.122503 | ['F', 'Li', 'V'] |
mp-756941 | LiFeO3 | 3 | true | 0.613476 | 0.236877 | -0.868213 | false | -0.023419 | -0.66623 | ['Fe', 'Li', 'O'] |
mp-777894 | LiVF3 | 3 | false | -1.169906 | 0.259129 | 0.970781 | true | -0.382821 | -0.544856 | ['F', 'Li', 'V'] |
mp-759093 | LiMnF3 | 3 | true | -1.14697 | 0.260645 | 1.720733 | true | -0.354006 | -0.530328 | ['F', 'Li', 'Mn'] |
mp-4995 | LiSbO3 | 3 | false | -0.158678 | 0.285145 | 0.579352 | true | 1.1309 | -0.615224 | ['Li', 'O', 'Sb'] |
mp-763100 | LiMnF4 | 3 | true | -0.9867 | 0.372966 | 0.829065 | true | -0.633852 | -0.294695 | ['F', 'Li', 'Mn'] |
mp-531523 | LiGa5O8 | 3 | false | -0.367026 | 0.268248 | 0.901582 | true | 1.358829 | -0.436034 | ['Ga', 'Li', 'O'] |
mp-1273466 | LiNiO2 | 3 | true | 0.567287 | 0.412804 | -0.868213 | false | 0.659522 | -0.447362 | ['Li', 'Ni', 'O'] |
mp-1367343 | LiTi2O4 | 3 | false | -1.351172 | -0.371608 | -0.868213 | false | 0.079278 | -0.411848 | ['Li', 'O', 'Ti'] |
mp-996997 | LiAgO2 | 3 | false | 0.961691 | 0.729875 | -0.443809 | false | 1.047188 | -0.973284 | ['Ag', 'Li', 'O'] |
mp-37747 | LiHS | 3 | false | 1.1448 | 0.927436 | 1.764677 | true | -1.589394 | -0.121567 | ['H', 'Li', 'S'] |
mp-772216 | LiNb8O14 | 3 | false | -0.819544 | -0.594764 | -0.868213 | false | 1.183286 | 0.454654 | ['Li', 'Nb', 'O'] |
mp-770511 | LiMn3O5 | 3 | true | -0.063139 | -0.223128 | -0.868213 | false | 0.33597 | -0.102661 | ['Li', 'Mn', 'O'] |
mp-995282 | LiAlB4 | 3 | false | 2.076954 | 0.224522 | -0.868213 | false | -0.966687 | -0.596158 | ['Al', 'B', 'Li'] |
mp-2761389 | LiVF5 | 3 | false | -1.253474 | -0.122622 | -0.349692 | false | -0.603272 | -0.208823 | ['F', 'Li', 'V'] |
mp-29077 | LiBiO3 | 3 | false | 0.372591 | 0.439123 | -0.770508 | false | 2.440058 | 0.130441 | ['Bi', 'Li', 'O'] |
mp-777355 | LiMnF3 | 3 | true | -1.156012 | 0.25826 | 1.639143 | true | -0.323996 | 0.15805 | ['F', 'Li', 'Mn'] |
mp-776080 | LiFeF3 | 3 | true | -0.899843 | 0.365975 | 1.598585 | true | -0.201353 | 0.093937 | ['F', 'Fe', 'Li'] |
mp-777893 | LiVF3 | 3 | false | -1.176975 | 0.257264 | 0.549221 | true | -0.347126 | 0.125545 | ['F', 'Li', 'V'] |
mp-1188218 | LiH2N | 3 | false | 1.828724 | 0.785191 | 1.779573 | true | -1.441051 | -0.962252 | ['H', 'Li', 'N'] |
mp-1176706 | LiFeF3 | 3 | true | -0.894254 | 0.367449 | -0.863541 | false | -0.23906 | -0.561043 | ['F', 'Fe', 'Li'] |
mp-638141 | LiSn5Rh3 | 3 | false | 1.643316 | 0.552042 | -0.868213 | false | 3.374883 | 0.744723 | ['Li', 'Rh', 'Sn'] |
mp-775765 | LiFeF5 | 3 | true | -0.419997 | 0.601143 | -0.279748 | false | -0.76385 | -0.078064 | ['F', 'Fe', 'Li'] |
mp-776108 | LiNbO3 | 3 | false | -0.985446 | -0.279467 | 1.073564 | true | 0.425285 | 0.054925 | ['Li', 'Nb', 'O'] |
mp-1002572 | LiMnO2 | 3 | true | -0.15771 | -0.023709 | -0.233909 | false | 0.226628 | -0.797805 | ['Li', 'Mn', 'O'] |
mp-1191694 | Sr2LiGe3 | 3 | false | 1.558174 | 1.023013 | -0.868213 | false | 0.366787 | 0.547105 | ['Ge', 'Li', 'Sr'] |
mp-1193296 | LiTi2O4 | 3 | false | -1.371168 | -0.376882 | -0.868213 | false | 0.150426 | -0.433953 | ['Li', 'O', 'Ti'] |
mp-20150 | LiCa2Si3 | 3 | false | 1.708243 | 0.915911 | -0.868213 | false | -1.035876 | 0.254387 | ['Ca', 'Li', 'Si'] |
mp-28254 | LiRuO2 | 3 | false | 0.447218 | 0.127675 | -0.868213 | false | 1.797003 | -1.029534 | ['Li', 'O', 'Ru'] |
mp-35899 | LiMoO2 | 3 | false | 0.041473 | -0.093304 | -0.868213 | false | 1.0077 | -0.992072 | ['Li', 'Mo', 'O'] |
mp-504670 | LiCa2Ge3 | 3 | false | 1.543652 | 0.988894 | -0.868213 | false | 0.014543 | 0.312802 | ['Ca', 'Ge', 'Li'] |
mp-637249 | LiEu2Ge3 | 3 | false | 1.502148 | 0.176898 | -0.868213 | false | 1.603188 | 0.411918 | ['Eu', 'Ge', 'Li'] |
mp-776122 | LiFe2F5 | 3 | true | -0.726747 | 0.316406 | 0.869488 | true | -0.454279 | 0.095912 | ['F', 'Fe', 'Li'] |
mp-774354 | LiMn2F5 | 3 | true | -1.10388 | 0.16675 | 1.40568 | true | -0.637923 | 0.214401 | ['F', 'Li', 'Mn'] |
mp-674219 | LiCr3O8 | 3 | false | 0.072395 | -0.145603 | 0.437161 | true | -0.171585 | -0.439607 | ['Cr', 'Li', 'O'] |
mp-758673 | LiNb2O4 | 3 | false | -0.817351 | -0.413685 | -0.868213 | false | 0.950668 | -0.762005 | ['Li', 'Nb', 'O'] |
mp-766486 | LiCuS2 | 3 | false | 1.323759 | 0.851689 | -0.44171 | false | -0.278931 | -0.850861 | ['Cu', 'Li', 'S'] |
mp-996987 | LiCuO2 | 3 | false | 0.59957 | 0.543248 | -0.530139 | false | 0.49351 | -1.019153 | ['Cu', 'Li', 'O'] |
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