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-776429 | LiV4O5F7 | 4 | false | -0.896614 | -0.001347 | -0.428574 | false | -0.247581 | -0.637124 | ['F', 'Li', 'O', 'V'] |
mp-776457 | LiV4OF11 | 4 | false | -1.252521 | 0.111929 | -0.194773 | false | -0.304199 | -0.604237 | ['F', 'Li', 'O', 'V'] |
mp-776502 | LiTi2(PO4)3 | 4 | false | -1.135531 | -0.265001 | 0.941192 | true | -0.647192 | 0.097476 | ['Li', 'O', 'P', 'Ti'] |
mp-776403 | LiV6O7F5 | 4 | false | -0.817871 | -0.213461 | 0.067467 | true | 0.193119 | -0.62131 | ['F', 'Li', 'O', 'V'] |
mp-776546 | LiFe2OF5 | 4 | true | -0.603958 | 0.303794 | 0.622686 | true | 0.04728 | -0.373675 | ['F', 'Fe', 'Li', 'O'] |
mp-776433 | LiV4O5F7 | 4 | false | -0.904602 | -0.003453 | 0.003887 | true | -0.259127 | -0.63404 | ['F', 'Li', 'O', 'V'] |
mp-776430 | LiV4O5F7 | 4 | false | -0.859231 | 0.008512 | -0.145751 | false | -0.28152 | -0.627967 | ['F', 'Li', 'O', 'V'] |
mp-776867 | LiV2(OF)3 | 4 | false | -0.829426 | 0.009119 | -0.242643 | false | -0.204052 | -0.345407 | ['F', 'Li', 'O', 'V'] |
mp-776909 | LiFe2(BO3)2 | 4 | true | -0.321269 | -0.178595 | 0.387937 | true | -0.366797 | 0.176965 | ['B', 'Fe', 'Li', 'O'] |
mp-776584 | LiMn2(BO3)2 | 4 | true | -0.495339 | -0.261007 | -0.629198 | false | -0.435494 | 0.938006 | ['B', 'Li', 'Mn', 'O'] |
mp-776761 | LiCr(SO4)2 | 4 | false | -0.115485 | 0.071526 | 0.594722 | true | -0.657763 | 0.066995 | ['Cr', 'Li', 'O', 'S'] |
mp-776824 | LiV2OF5 | 4 | false | -1.167945 | 0.115473 | 0.287726 | true | -0.277845 | 1.290222 | ['F', 'Li', 'O', 'V'] |
mp-777289 | LiV2(OF)3 | 4 | false | -0.827293 | 0.009682 | -0.11799 | false | -0.222898 | -0.338048 | ['F', 'Li', 'O', 'V'] |
mp-777054 | LiV6O7F5 | 4 | false | -0.81455 | -0.212586 | -0.137558 | false | 0.169291 | -0.615822 | ['F', 'Li', 'O', 'V'] |
mp-777293 | LiMn2(BO3)2 | 4 | true | -0.496394 | -0.261286 | -0.52892 | false | -0.414256 | 0.915944 | ['B', 'Li', 'Mn', 'O'] |
mp-777291 | LiV4O5F7 | 4 | false | -0.898094 | -0.001737 | -0.059218 | false | -0.246924 | -0.036448 | ['F', 'Li', 'O', 'V'] |
mp-777339 | LiV3OF11 | 4 | false | -1.078968 | 0.253898 | -0.866656 | false | -0.577448 | 0.039813 | ['F', 'Li', 'O', 'V'] |
mp-777467 | LiMn2(BO3)2 | 4 | true | -0.493155 | -0.260431 | -0.564603 | false | -0.431223 | 0.933533 | ['B', 'Li', 'Mn', 'O'] |
mp-777405 | LiMn2(BO3)2 | 4 | true | -0.498332 | -0.261797 | -0.499398 | false | -0.444679 | 0.947689 | ['B', 'Li', 'Mn', 'O'] |
mp-777575 | LiV3OF11 | 4 | false | -1.07563 | 0.254779 | -0.859681 | false | -0.582415 | 0.043108 | ['F', 'Li', 'O', 'V'] |
mp-777568 | LiMn2(PO4)2 | 4 | true | -0.597981 | -0.195737 | -0.868213 | false | -0.224711 | 1.346618 | ['Li', 'Mn', 'O', 'P'] |
mp-777831 | LiV4OF11 | 4 | false | -1.26313 | 0.109131 | -0.199445 | false | -0.3096 | 0.032788 | ['F', 'Li', 'O', 'V'] |
mp-777854 | LiV4OF11 | 4 | false | -1.251834 | 0.11211 | -0.868213 | false | -0.267134 | 0.008715 | ['F', 'Li', 'O', 'V'] |
mp-777822 | LiMn2(BO3)2 | 4 | true | -0.493371 | -0.260488 | -0.456335 | false | -0.417918 | 0.200428 | ['B', 'Li', 'Mn', 'O'] |
mp-777798 | LiV6O7F5 | 4 | false | -0.815942 | -0.212953 | -0.092531 | false | 0.186686 | -0.619838 | ['F', 'Li', 'O', 'V'] |
mp-778177 | LiV4OF11 | 4 | false | -1.251978 | 0.112073 | -0.31191 | false | -0.313332 | 0.034948 | ['F', 'Li', 'O', 'V'] |
mp-778107 | LiV4OF11 | 4 | false | -1.260665 | 0.109781 | -0.112438 | false | -0.309953 | 0.032992 | ['F', 'Li', 'O', 'V'] |
mp-778253 | LiV2(OF)3 | 4 | false | -0.82116 | 0.011299 | -0.255305 | false | -0.24176 | 1.18209 | ['F', 'Li', 'O', 'V'] |
mp-778762 | LiMn2(BO3)2 | 4 | true | -0.497399 | -0.261551 | -0.635224 | false | -0.438773 | 0.941453 | ['B', 'Li', 'Mn', 'O'] |
mp-778827 | LiMn2(BO3)2 | 4 | true | -0.497169 | -0.26149 | -0.506034 | false | -0.427656 | 0.207158 | ['B', 'Li', 'Mn', 'O'] |
mp-778739 | LiCu5(PO4)2 | 4 | false | 0.384857 | 0.319725 | -0.56291 | false | 0.642563 | -0.190504 | ['Cu', 'Li', 'O', 'P'] |
mp-778403 | LiMn2(BO3)2 | 4 | true | -0.501299 | -0.262579 | -0.604822 | false | -0.413865 | 0.915543 | ['B', 'Li', 'Mn', 'O'] |
mp-779276 | LiCu5(PO4)2 | 4 | false | 0.369643 | 0.315713 | -0.425459 | false | 0.659032 | -0.195951 | ['Cu', 'Li', 'O', 'P'] |
mp-778884 | LiFeBO3 | 4 | true | -0.33859 | -0.093267 | 0.985474 | true | -0.390958 | 0.41932 | ['B', 'Fe', 'Li', 'O'] |
mp-778879 | LiV2OF5 | 4 | false | -1.167039 | 0.115712 | -0.180689 | false | -0.275032 | 0.024444 | ['F', 'Li', 'O', 'V'] |
mp-779054 | LiV2(OF)3 | 4 | false | -0.831562 | 0.008556 | -0.371563 | false | -0.22519 | -0.337144 | ['F', 'Li', 'O', 'V'] |
mp-779071 | LiV2(OF)3 | 4 | false | -0.828044 | 0.009483 | -0.509149 | false | -0.235525 | -0.333049 | ['F', 'Li', 'O', 'V'] |
mp-779059 | LiV4O5F7 | 4 | false | -0.905917 | -0.0038 | -0.25043 | false | -0.264015 | -0.0273 | ['F', 'Li', 'O', 'V'] |
mp-779023 | LiMn2(BO3)2 | 4 | true | -0.494916 | -0.260896 | -0.530477 | false | -0.393058 | 0.183527 | ['B', 'Li', 'Mn', 'O'] |
mp-779058 | LiV2OF5 | 4 | false | -1.165819 | 0.116033 | -0.43372 | false | -0.279244 | 0.026829 | ['F', 'Li', 'O', 'V'] |
mp-779241 | LiCu5(PO4)2 | 4 | false | 0.401444 | 0.3241 | -0.818853 | false | 0.655792 | -0.194883 | ['Cu', 'Li', 'O', 'P'] |
mp-778861 | LiV2OF5 | 4 | false | -1.170049 | 0.114918 | -0.107224 | false | -0.095379 | -0.06953 | ['F', 'Li', 'O', 'V'] |
mp-779579 | LiCu5(PO4)2 | 4 | false | 0.397308 | 0.323009 | -0.771253 | false | 0.645788 | -0.191575 | ['Cu', 'Li', 'O', 'P'] |
mp-779588 | LiCu2PO4 | 4 | false | 0.130361 | 0.292327 | -0.421735 | false | 0.337371 | -0.20577 | ['Cu', 'Li', 'O', 'P'] |
mp-779641 | LiCu5(PO4)2 | 4 | false | 0.372651 | 0.316506 | -0.568598 | false | 0.651587 | -0.193496 | ['Cu', 'Li', 'O', 'P'] |
mp-779335 | LiMn2(BO3)2 | 4 | true | -0.491675 | -0.260041 | -0.739768 | false | -0.433712 | 0.936138 | ['B', 'Li', 'Mn', 'O'] |
mp-779340 | LiV4O5F7 | 4 | false | -0.890506 | 0.000264 | -0.868213 | false | -0.267374 | -0.025486 | ['F', 'Li', 'O', 'V'] |
mp-779475 | LiMn2(BO3)2 | 4 | true | -0.491695 | -0.260046 | -0.727918 | false | -0.412667 | 0.914312 | ['B', 'Li', 'Mn', 'O'] |
mp-779759 | LiV4OF11 | 4 | false | -1.236866 | 0.116058 | -0.868213 | false | -0.321911 | 0.039942 | ['F', 'Li', 'O', 'V'] |
mp-779787 | LiFeOF2 | 4 | true | -0.529214 | 0.287653 | 0.416375 | true | -0.103242 | -0.615263 | ['F', 'Fe', 'Li', 'O'] |
mp-780334 | LiMn2(BO3)2 | 4 | true | -0.502801 | -0.262975 | -0.609291 | false | -0.405128 | 0.191683 | ['B', 'Li', 'Mn', 'O'] |
mp-780388 | LiMn3(BO3)3 | 4 | true | -0.458801 | -0.286223 | -0.576655 | false | -0.422929 | -0.167298 | ['B', 'Li', 'Mn', 'O'] |
mp-780389 | LiMn2(BO3)2 | 4 | true | -0.501178 | -0.262547 | -0.653573 | false | -0.409703 | 0.553035 | ['B', 'Li', 'Mn', 'O'] |
mp-780620 | LiCr(Si2O5)2 | 4 | false | -1.088577 | -0.248812 | 0.57969 | true | -0.756241 | -0.02557 | ['Cr', 'Li', 'O', 'Si'] |
mp-780586 | LiCoP2O7 | 4 | true | -0.371013 | 0.003121 | -0.145683 | false | -0.533833 | 0.319811 | ['Co', 'Li', 'O', 'P'] |
mp-780460 | LiMn3(BO3)3 | 4 | true | -0.467001 | -0.288385 | -0.576249 | false | -0.438024 | -0.159494 | ['B', 'Li', 'Mn', 'O'] |
mp-780663 | LiMn2(BO3)2 | 4 | true | -0.503909 | -0.263267 | -0.540092 | false | -0.434756 | 0.574668 | ['B', 'Li', 'Mn', 'O'] |
mp-780500 | LiMn2(BO3)2 | 4 | true | -0.495302 | -0.260998 | -0.868213 | false | -0.418356 | 0.200729 | ['B', 'Li', 'Mn', 'O'] |
mp-780681 | LiFe3(SiO4)2 | 4 | true | -0.42747 | -0.185405 | -0.431147 | false | -0.41542 | 0.410446 | ['Fe', 'Li', 'O', 'Si'] |
mp-780845 | LiMn(PO3)3 | 4 | true | -0.670461 | -0.127123 | 1.691347 | true | -0.670071 | 1.889206 | ['Li', 'Mn', 'O', 'P'] |
mp-781497 | LiMn2(BO3)2 | 4 | true | -0.489066 | -0.259353 | -0.626219 | false | -0.42627 | 0.92837 | ['B', 'Li', 'Mn', 'O'] |
mp-781596 | LiFeOF2 | 4 | true | -0.549197 | 0.282383 | 0.306482 | true | -0.268783 | 0.099675 | ['F', 'Fe', 'Li', 'O'] |
mp-781594 | LiMn3(BO3)3 | 4 | true | -0.460576 | -0.286691 | -0.745117 | false | -0.426543 | -0.16544 | ['B', 'Li', 'Mn', 'O'] |
mp-780706 | LiMnP2O7 | 4 | true | -0.644026 | -0.122389 | -0.254696 | false | -0.539188 | -0.470064 | ['Li', 'Mn', 'O', 'P'] |
mp-780764 | LiCuP4O11 | 4 | false | -0.369055 | 0.040223 | -0.635563 | false | -0.660025 | 1.332181 | ['Cu', 'Li', 'O', 'P'] |
mp-780849 | LiMn2Cr2O8 | 4 | true | -0.037592 | -0.237103 | -0.433652 | false | 0.174673 | 0.42963 | ['Cr', 'Li', 'Mn', 'O'] |
mp-781608 | LiMn2(BO3)2 | 4 | true | -0.501747 | -0.262697 | -0.591822 | false | -0.412996 | 0.19705 | ['B', 'Li', 'Mn', 'O'] |
mp-781607 | LiMn3(BO3)3 | 4 | true | -0.461619 | -0.286966 | -0.556816 | false | -0.419609 | -0.169 | ['B', 'Li', 'Mn', 'O'] |
mp-781623 | LiMn2(BO3)2 | 4 | true | -0.493188 | -0.26044 | -0.868213 | false | -0.405199 | 0.549201 | ['B', 'Li', 'Mn', 'O'] |
mp-782642 | LiMn2(BO3)2 | 4 | true | -0.495481 | -0.261045 | -0.542055 | false | -0.409905 | -0.163335 | ['B', 'Li', 'Mn', 'O'] |
mp-781673 | LiMn2(BO3)2 | 4 | true | -0.487972 | -0.259064 | -0.843702 | false | -0.414195 | 0.556877 | ['B', 'Li', 'Mn', 'O'] |
mp-782644 | LiMn3(BO3)3 | 4 | true | -0.464599 | -0.287752 | -0.583968 | false | -0.420467 | -0.168561 | ['B', 'Li', 'Mn', 'O'] |
mp-782821 | LiV2(OF)3 | 4 | false | -0.821675 | 0.011163 | -0.234518 | false | -0.222566 | -0.338178 | ['F', 'Li', 'O', 'V'] |
mp-781616 | LiMn2(BO3)2 | 4 | true | -0.48885 | -0.259296 | -0.722976 | false | -0.408524 | 0.193995 | ['B', 'Li', 'Mn', 'O'] |
mp-782726 | LiFeP2O7 | 4 | true | -0.516045 | -0.070384 | 0.12353 | true | -0.482987 | 1.760461 | ['Fe', 'Li', 'O', 'P'] |
mp-787551 | Na5LiV6O18 | 4 | false | 1.588705 | 0.485878 | -0.533186 | false | -0.647344 | 1.22775 | ['Li', 'Na', 'O', 'V'] |
mp-783911 | LiV2OF5 | 4 | false | -1.155469 | 0.118763 | -0.073166 | false | -0.281706 | 2.560981 | ['F', 'Li', 'O', 'V'] |
mp-805574 | LiCrPO4 | 4 | false | 3.11685 | 0.836682 | -0.868213 | false | -0.66157 | 3.037798 | ['Cr', 'Li', 'O', 'P'] |
mp-807948 | LiV4O5F7 | 4 | false | 3.499392 | 1.158005 | -0.868213 | false | -0.256388 | -0.634774 | ['F', 'Li', 'O', 'V'] |
mp-807122 | LiFe7(OF3)3 | 4 | true | 1.411115 | 0.557837 | -0.651745 | false | 0.312746 | -0.536886 | ['F', 'Fe', 'Li', 'O'] |
mp-807720 | LiCoP2O7 | 4 | true | 4.705706 | 1.341996 | -0.868213 | false | -0.533833 | 0.319811 | ['Co', 'Li', 'O', 'P'] |
mp-807581 | LiFeOF2 | 4 | true | 1.088162 | 0.714201 | -0.868213 | false | -0.103243 | -0.615263 | ['F', 'Fe', 'Li', 'O'] |
mp-831266 | LiFeP2O7 | 4 | true | -0.505719 | -0.067661 | 0.008424 | true | -0.455303 | 1.720041 | ['Fe', 'Li', 'O', 'P'] |
mp-849301 | LiMn2(BO3)2 | 4 | true | -0.496593 | -0.261338 | -0.658584 | false | -0.423108 | -0.156532 | ['B', 'Li', 'Mn', 'O'] |
mp-849366 | LiCo3OF5 | 4 | true | -0.250634 | 0.375131 | 0.918035 | true | 0.339667 | -0.574341 | ['Co', 'F', 'Li', 'O'] |
mp-849415 | LiFeP2O7 | 4 | true | -0.519408 | -0.071271 | 0.090488 | true | -0.492106 | 1.774018 | ['Fe', 'Li', 'O', 'P'] |
mp-849452 | LiFeP2O7 | 4 | true | -0.525955 | -0.072998 | 0.312102 | true | -0.505804 | 1.794614 | ['Fe', 'Li', 'O', 'P'] |
mp-849488 | LiMn2(BO3)2 | 4 | true | -0.495962 | -0.261172 | -0.662714 | false | -0.425958 | 0.567013 | ['B', 'Li', 'Mn', 'O'] |
mp-849555 | LiFeP2O7 | 4 | true | -0.520936 | -0.071674 | 0.317722 | true | -0.484939 | 1.763351 | ['Fe', 'Li', 'O', 'P'] |
mp-849490 | LiFeP2O7 | 4 | true | -0.511844 | -0.069276 | 0.088389 | true | -0.4654 | 1.734656 | ['Fe', 'Li', 'O', 'P'] |
mp-849520 | LiCo3(SiO4)2 | 4 | true | -0.254533 | -0.056694 | -0.864692 | false | -0.291631 | 0.358624 | ['Co', 'Li', 'O', 'Si'] |
mp-849557 | LiFeP2O7 | 4 | true | -0.516586 | -0.070527 | 0.179459 | true | -0.486688 | 1.765948 | ['Fe', 'Li', 'O', 'P'] |
mp-849605 | LiMnP2O7 | 4 | true | -0.585942 | -0.107071 | -0.551399 | false | -0.494999 | 1.766788 | ['Li', 'Mn', 'O', 'P'] |
mp-849590 | LiFe2(BO3)2 | 4 | true | -0.323774 | -0.179255 | 0.409942 | true | -0.345511 | 0.163042 | ['B', 'Fe', 'Li', 'O'] |
mp-849622 | LiFe4(BO3)4 | 4 | true | -0.283694 | -0.220054 | 0.278315 | true | -0.380884 | 0.165406 | ['B', 'Fe', 'Li', 'O'] |
mp-849612 | LiFe4(BO3)4 | 4 | true | -0.284493 | -0.220265 | 0.183792 | true | -0.385012 | 0.168134 | ['B', 'Fe', 'Li', 'O'] |
mp-849620 | LiFe4(BO3)4 | 4 | true | -0.284379 | -0.220235 | 0.294091 | true | -0.382611 | 0.166546 | ['B', 'Fe', 'Li', 'O'] |
mp-849633 | LiMn2(P2O7)2 | 4 | true | -0.448401 | -0.115437 | -0.860359 | false | -0.517322 | 1.755746 | ['Li', 'Mn', 'O', 'P'] |
mp-849639 | LiV2OF5 | 4 | false | -1.164474 | 0.116388 | 0.247845 | true | -0.258066 | -0.298341 | ['F', 'Li', 'O', 'V'] |
mp-849617 | LiFe2(BO3)2 | 4 | true | -0.32317 | -0.179096 | 0.202886 | true | -0.344321 | 0.162273 | ['B', 'Fe', 'Li', 'O'] |
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