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-762988 | LiMnF3 | 3 | true | -1.070475 | 0.280819 | 1.637992 | true | -0.413688 | -0.510168 | ['F', 'Li', 'Mn'] |
mp-759960 | LiVF6 | 3 | false | -1.053342 | 0.445791 | 0.627155 | true | -0.790454 | 0.686774 | ['F', 'Li', 'V'] |
mp-759131 | LiCu3F10 | 3 | false | 0.252338 | 0.233581 | -0.868213 | false | -0.188019 | 0.904514 | ['Cu', 'F', 'Li'] |
mp-758077 | Li(Fe2O3)4 | 3 | true | 0.340262 | -0.15446 | -0.137152 | false | 0.580461 | 0.102769 | ['Fe', 'Li', 'O'] |
mp-759301 | Li(CoO2)3 | 3 | true | 0.674826 | 0.179032 | -0.114063 | false | 0.693781 | -0.677771 | ['Co', 'Li', 'O'] |
mp-767641 | LiV2F7 | 3 | false | -1.272579 | 0.231908 | 0.938077 | true | -0.373871 | -0.511531 | ['F', 'Li', 'V'] |
mp-770652 | LiCr3O9 | 3 | false | 0.305177 | -0.063611 | 0.046545 | true | -0.935171 | 2.515362 | ['Cr', 'Li', 'O'] |
mp-767723 | LiV2F9 | 3 | false | -1.145209 | 0.334821 | 0.390645 | true | -0.604018 | -0.295781 | ['F', 'Li', 'V'] |
mp-771523 | LiCr2O4 | 3 | false | -0.2967 | -0.239214 | -0.579228 | false | 0.223879 | -0.416792 | ['Cr', 'Li', 'O'] |
mp-774403 | LiFe2F9 | 3 | true | -0.299591 | 0.587521 | -0.415032 | false | -0.580183 | -0.274805 | ['F', 'Fe', 'Li'] |
mp-774736 | LiCuS | 3 | false | 1.178029 | 0.868108 | 0.281768 | true | -0.268152 | -0.650911 | ['Cu', 'Li', 'S'] |
mp-3427 | LiAlO2 | 3 | false | -1.220006 | 0.089025 | 2.239592 | true | -0.742702 | -0.759256 | ['Al', 'Li', 'O'] |
mp-771135 | Li(FeO2)2 | 3 | true | 0.34028 | 0.026848 | -0.868213 | false | 0.216237 | -0.378244 | ['Fe', 'Li', 'O'] |
mp-774239 | Li(CoO2)2 | 3 | true | 0.662438 | 0.222614 | -0.868213 | false | 0.675436 | -0.477351 | ['Co', 'Li', 'O'] |
mp-772941 | LiCr2O4 | 3 | false | -0.308987 | -0.242454 | -0.352198 | false | 0.12675 | -0.386525 | ['Cr', 'Li', 'O'] |
mp-1377260 | Li(CoO2)2 | 3 | true | 0.565038 | 0.196926 | -0.868213 | false | 0.687895 | 0.277518 | ['Co', 'Li', 'O'] |
mp-996959 | LiAuO2 | 3 | false | 0.810659 | 0.658784 | 0.164969 | true | 3.059813 | -0.966354 | ['Au', 'Li', 'O'] |
mp-1222774 | Li(CuO)3 | 3 | false | 1.049745 | 0.611472 | -0.868213 | false | 1.290391 | -1.030799 | ['Cu', 'Li', 'O'] |
mp-1239060 | LiMnO | 3 | true | 1.78697 | 0.460748 | 0.069363 | true | -2.337139 | 0.214635 | ['Li', 'Mn', 'O'] |
mp-1101540 | LiFeP4O13 | 4 | true | -0.363823 | -0.028768 | -0.864218 | false | -0.961954 | 2.035312 | ['Fe', 'Li', 'O', 'P'] |
mp-1101504 | LiMo(PO4)2 | 4 | false | -0.517983 | -0.125219 | 0.097733 | true | -0.829636 | -0.678808 | ['Li', 'Mo', 'O', 'P'] |
mp-1101521 | LiFeP2O7 | 4 | true | -0.492019 | -0.064048 | 0.495256 | true | -0.788487 | -0.355395 | ['Fe', 'Li', 'O', 'P'] |
mp-1101523 | LiCrP4O13 | 4 | false | -0.476866 | -0.076647 | -0.868213 | false | -0.955433 | 0.375818 | ['Cr', 'Li', 'O', 'P'] |
mp-1102469 | LiH3C2O5 | 4 | false | 0.445319 | 0.197769 | 1.398639 | true | -1.364119 | -0.918788 | ['C', 'H', 'Li', 'O'] |
mp-1101509 | LiMo(PO4)2 | 4 | false | -0.523994 | -0.126804 | 0.066993 | true | -0.761727 | -0.700546 | ['Li', 'Mo', 'O', 'P'] |
mp-1101560 | LiFeP2O7 | 4 | true | -0.480454 | -0.060998 | 0.400937 | true | -0.793979 | -0.352568 | ['Fe', 'Li', 'O', 'P'] |
mp-1172916 | LiMnPO4 | 4 | true | -0.678236 | -0.143837 | 1.089544 | true | -0.363871 | 1.576569 | ['Li', 'Mn', 'O', 'P'] |
mp-1176543 | LiVFeO4 | 4 | true | -0.159646 | -0.130442 | 0.236267 | true | 0.094244 | -0.581126 | ['Fe', 'Li', 'O', 'V'] |
mp-1176554 | LiV3OF11 | 4 | false | -1.080739 | 0.253431 | -0.867739 | false | -0.592143 | 0.04961 | ['F', 'Li', 'O', 'V'] |
mp-1176561 | LiV4OF11 | 4 | false | -1.25488 | 0.111307 | -0.279748 | false | -0.27516 | 0.013195 | ['F', 'Li', 'O', 'V'] |
mp-1176627 | LiV(SO4)2 | 4 | false | -0.175944 | 0.069343 | 0.409062 | true | -0.61251 | 2.144923 | ['Li', 'O', 'S', 'V'] |
mp-1176663 | LiMnP2O7 | 4 | true | -0.596211 | -0.109779 | -0.42871 | false | -0.535533 | 1.828504 | ['Li', 'Mn', 'O', 'P'] |
mp-1176666 | LiMn2(PO4)2 | 4 | true | -0.539129 | -0.180216 | -0.868213 | false | -0.346741 | 0.127168 | ['Li', 'Mn', 'O', 'P'] |
mp-1176659 | LiVCO5 | 4 | false | -0.157083 | -0.133349 | 0.304247 | true | -0.609391 | 0.786816 | ['C', 'Li', 'O', 'V'] |
mp-1176571 | LiTiV2O6 | 4 | false | -0.836678 | -0.354892 | -0.148866 | false | -0.004702 | -0.914464 | ['Li', 'O', 'Ti', 'V'] |
mp-1176667 | LiMn2(BO3)2 | 4 | true | -0.491815 | -0.260078 | -0.779446 | false | -0.422842 | 0.203823 | ['B', 'Li', 'Mn', 'O'] |
mp-1176563 | LiV3OF11 | 4 | false | -1.064759 | 0.257646 | -0.868213 | false | -0.605279 | 0.058495 | ['F', 'Li', 'O', 'V'] |
mp-1176664 | LiMn3(PO4)3 | 4 | true | -0.572065 | -0.215821 | -0.681267 | false | -0.234868 | 1.338581 | ['Li', 'Mn', 'O', 'P'] |
mp-1176719 | LiV3O3F7 | 4 | false | -1.009965 | 0.082762 | -0.045541 | false | -0.432412 | -0.185365 | ['F', 'Li', 'O', 'V'] |
mp-1176674 | LiMn2(BO3)2 | 4 | true | -0.488296 | -0.25915 | -0.809305 | false | -0.406633 | -0.165007 | ['B', 'Li', 'Mn', 'O'] |
mp-1176685 | LiMnP2O7 | 4 | true | -0.584087 | -0.106581 | -0.512196 | false | -0.499092 | 1.772906 | ['Li', 'Mn', 'O', 'P'] |
mp-1176760 | LiCu2PO4 | 4 | false | 0.129793 | 0.292177 | -0.346781 | false | 0.368636 | -0.727568 | ['Cu', 'Li', 'O', 'P'] |
mp-1176725 | LiFe4(BO3)4 | 4 | true | -0.283727 | -0.220063 | -0.868213 | false | -0.382228 | 0.166293 | ['B', 'Fe', 'Li', 'O'] |
mp-1176771 | LiCu2C2O7 | 4 | false | 0.533792 | 0.15141 | -0.868213 | false | -0.561924 | -0.348312 | ['C', 'Cu', 'Li', 'O'] |
mp-1176713 | LiMnP2O7 | 4 | true | -0.59363 | -0.109098 | -0.459788 | false | -0.525883 | 1.813582 | ['Li', 'Mn', 'O', 'P'] |
mp-1176822 | LiMnP2O7 | 4 | true | -0.577023 | -0.104718 | -0.804295 | false | -0.504415 | 1.780901 | ['Li', 'Mn', 'O', 'P'] |
mp-1176804 | LiCo(SO4)2 | 4 | true | 0.229798 | 0.223509 | -0.80592 | false | -0.624365 | 0.079291 | ['Co', 'Li', 'O', 'S'] |
mp-1176764 | LiCu2PO4 | 4 | false | 0.133505 | 0.293156 | -0.512466 | false | 0.353553 | -0.211606 | ['Cu', 'Li', 'O', 'P'] |
mp-1176772 | LiFeP2O7 | 4 | true | -0.520992 | -0.071689 | 0.226788 | true | -0.489696 | 1.770423 | ['Fe', 'Li', 'O', 'P'] |
mp-1176763 | LiFe2(CO3)3 | 4 | true | 0.186779 | -0.173504 | 0.16463 | true | -0.603389 | -0.232635 | ['C', 'Fe', 'Li', 'O'] |
mp-1176768 | LiCu2PO4 | 4 | false | 0.127501 | 0.291573 | -0.412459 | false | 0.344706 | -0.208423 | ['Cu', 'Li', 'O', 'P'] |
mp-1178166 | K2LiNbO4 | 4 | false | -0.583184 | 0.149474 | 1.709358 | true | -0.626592 | 0.411739 | ['K', 'Li', 'Nb', 'O'] |
mp-1178148 | KLi(WO3)3 | 4 | false | -0.258315 | -0.320956 | -0.128553 | false | 1.623426 | -0.086819 | ['K', 'Li', 'O', 'W'] |
mp-1181392 | LiZn(ClO)3 | 4 | false | 1.395651 | 1.052409 | -0.553972 | false | -1.173326 | 0.939724 | ['Cl', 'Li', 'O', 'Zn'] |
mp-1191091 | LiAlSi2O7 | 4 | false | -0.731308 | -0.003057 | 0.391593 | true | -1.070673 | -0.336731 | ['Al', 'Li', 'O', 'Si'] |
mp-1190355 | LiAlSi2O7 | 4 | false | -0.880448 | -0.04239 | -0.868213 | false | -1.044018 | -0.353131 | ['Al', 'Li', 'O', 'Si'] |
mp-1210977 | LiMn2TeO6 | 4 | true | 0.049302 | 0.012117 | -0.86002 | false | 0.749086 | -0.567797 | ['Li', 'Mn', 'O', 'Te'] |
mp-1210976 | LiH(CO2)2 | 4 | false | 0.706504 | 0.14547 | 1.119539 | true | -1.783455 | -0.813883 | ['C', 'H', 'Li', 'O'] |
mp-1220728 | NaLi(AsS2)2 | 4 | false | 1.248222 | 0.810927 | -0.868145 | false | -0.602018 | -0.719981 | ['As', 'Li', 'Na', 'S'] |
mp-1222388 | LiMo6(Se3S)2 | 4 | false | 1.205783 | -0.004737 | -0.868213 | false | 1.593608 | -0.362011 | ['Li', 'Mo', 'S', 'Se'] |
mp-1222708 | LiH7(SO4)4 | 4 | false | 0.374556 | 0.379581 | 3.031592 | true | -1.128933 | -0.312469 | ['H', 'Li', 'O', 'S'] |
mp-1222914 | LiB(H8O5)2 | 4 | false | 0.54318 | 0.517369 | 2.57787 | true | -1.56744 | -0.577666 | ['B', 'H', 'Li', 'O'] |
mp-1232975 | LiTl4(NiO3)4 | 4 | true | 1.082224 | 0.526919 | -0.814519 | false | 3.319816 | -0.549503 | ['Li', 'Ni', 'O', 'Tl'] |
mp-1232992 | LiPr2(BrO2)2 | 4 | false | -0.289209 | 0.348135 | -0.711533 | false | 0.532661 | -0.697565 | ['Br', 'Li', 'O', 'Pr'] |
mp-1233000 | Rb4Li(Se2O7)2 | 4 | false | 0.43513 | 0.529679 | -0.477325 | false | -0.402131 | 0.114892 | ['Li', 'O', 'Rb', 'Se'] |
mp-1232973 | LiMn6(OF2)4 | 4 | true | -0.603142 | -0.024987 | -0.867265 | false | 0.102273 | -0.55934 | ['F', 'Li', 'Mn', 'O'] |
mp-1232977 | LiMn6(OF2)4 | 4 | true | -0.612516 | -0.027459 | -0.868213 | false | 0.090216 | -0.556191 | ['F', 'Li', 'Mn', 'O'] |
mp-1235022 | Rb12Li(ClO)4 | 4 | false | 0.677369 | 1.152833 | -0.868213 | false | -0.559964 | 0.800055 | ['Cl', 'Li', 'O', 'Rb'] |
mp-1235026 | LiZn4(SnO2)4 | 4 | false | 0.499066 | 0.602461 | -0.868213 | false | 1.073744 | -0.457891 | ['Li', 'O', 'Sn', 'Zn'] |
mp-1235140 | LiCo6(OF5)2 | 4 | true | -0.083768 | 0.390525 | -0.205065 | false | 0.420155 | -0.600182 | ['Co', 'F', 'Li', 'O'] |
mp-1235161 | LiCu6OF11 | 4 | false | 0.191003 | 0.787335 | -0.868213 | false | 0.551045 | -0.595311 | ['Cu', 'F', 'Li', 'O'] |
mp-1235163 | LiMn2(P2O7)2 | 4 | true | -0.475649 | -0.122623 | -0.669011 | false | -0.634004 | -0.4431 | ['Li', 'Mn', 'O', 'P'] |
mp-1235113 | LiMn6O5F7 | 4 | true | -0.521648 | -0.049828 | -0.868213 | false | 0.180294 | -0.58261 | ['F', 'Li', 'Mn', 'O'] |
mp-1235117 | LiP4(Br3O)4 | 4 | false | 0.803548 | 0.880147 | -0.626625 | false | -0.741824 | 0.856074 | ['Br', 'Li', 'O', 'P'] |
mp-1235045 | LiCu6OF11 | 4 | false | 0.188895 | 0.786779 | -0.868213 | false | 0.576713 | -0.600658 | ['Cu', 'F', 'Li', 'O'] |
mp-1235178 | LiCu6OF11 | 4 | false | 0.236809 | 0.799415 | -0.868213 | false | 0.422301 | -0.567078 | ['Cu', 'F', 'Li', 'O'] |
mp-1235051 | LiCu6OF11 | 4 | false | 0.201972 | 0.790228 | -0.868213 | false | 0.604874 | -0.606423 | ['Cu', 'F', 'Li', 'O'] |
mp-1235072 | LiHf8(N2O)4 | 4 | false | -0.359842 | -0.878218 | -0.868213 | false | 4.400264 | -0.490191 | ['Hf', 'Li', 'N', 'O'] |
mp-1235069 | LiFe8(O7F)2 | 4 | true | 0.477153 | 0.007639 | -0.868213 | false | 0.463994 | -0.465899 | ['F', 'Fe', 'Li', 'O'] |
mp-1235074 | LiLu4(CoO3)4 | 4 | true | -0.635935 | -0.119833 | -0.868213 | false | 3.098725 | -0.589117 | ['Co', 'Li', 'Lu', 'O'] |
mp-1235100 | LiMn6O5F7 | 4 | true | -0.523968 | -0.05044 | -0.868213 | false | 0.20018 | -0.587421 | ['F', 'Li', 'Mn', 'O'] |
mp-1235126 | Rb4Li(Se2O7)2 | 4 | false | 0.42487 | 0.526973 | -0.419298 | false | -0.335011 | 0.07312 | ['Li', 'O', 'Rb', 'Se'] |
mp-1235127 | LiP4(Br3O)4 | 4 | false | 0.798872 | 0.878914 | -0.570223 | false | -0.743623 | 0.858207 | ['Br', 'Li', 'O', 'P'] |
mp-1235046 | LiFe8(O7F)2 | 4 | true | 0.485211 | 0.009764 | -0.868213 | false | 0.476359 | -0.469097 | ['F', 'Fe', 'Li', 'O'] |
mp-1235087 | LiV4(NiO6)2 | 4 | true | -0.033635 | -0.137401 | -0.759133 | false | -0.177877 | -0.522445 | ['Li', 'Ni', 'O', 'V'] |
mp-1235135 | LiFe6(OF2)4 | 4 | true | -0.260714 | 0.128725 | 0.241548 | true | 0.414229 | -0.625805 | ['F', 'Fe', 'Li', 'O'] |
mp-1235170 | LiLa4Ho4O12 | 4 | false | -1.829752 | -0.317434 | -0.868213 | false | 2.488202 | -0.330241 | ['Ho', 'La', 'Li', 'O'] |
mp-1235189 | LiZn(SbO2)4 | 4 | false | 0.355348 | 0.404143 | -0.868213 | false | 0.546106 | -0.516374 | ['Li', 'O', 'Sb', 'Zn'] |
mp-1235198 | LiV4(GeO4)4 | 4 | false | -0.193379 | -0.089534 | -0.478747 | false | 0.952531 | -0.536362 | ['Ge', 'Li', 'O', 'V'] |
mp-1235254 | LiFe8(O3F)4 | 4 | true | 0.283155 | 0.026903 | -0.868213 | false | 0.323045 | -0.420671 | ['F', 'Fe', 'Li', 'O'] |
mp-1235284 | LiPr2(BrO2)2 | 4 | false | -0.149892 | 0.384876 | -0.679912 | false | 0.558295 | -0.702082 | ['Br', 'Li', 'O', 'Pr'] |
mp-1235290 | LiCd4(TcO3)4 | 4 | false | 0.519852 | 0.203465 | -0.868213 | false | 2.215922 | -0.531647 | ['Cd', 'Li', 'O', 'Tc'] |
mp-1235307 | LiV6O11F | 4 | false | -0.543818 | -0.32652 | -0.438866 | false | 0.327775 | -0.664154 | ['F', 'Li', 'O', 'V'] |
mp-1235358 | LiHf8(N2O)4 | 4 | false | -0.362979 | -0.879045 | -0.868213 | false | 4.387982 | -0.488859 | ['Hf', 'Li', 'N', 'O'] |
mp-1235380 | LiZn(CoO2)4 | 4 | true | 0.791509 | 0.270107 | -0.868213 | false | 0.778463 | -0.812617 | ['Co', 'Li', 'O', 'Zn'] |
mp-1235257 | LiTl4(NiO3)4 | 4 | true | 1.084513 | 0.527523 | -0.831853 | false | 3.349806 | -0.553028 | ['Li', 'Ni', 'O', 'Tl'] |
mp-1235280 | LiFe8(O7F)2 | 4 | true | 0.498733 | 0.01333 | -0.868213 | false | 0.48894 | -0.472324 | ['F', 'Fe', 'Li', 'O'] |
mp-1235289 | LiFe8(O7F)2 | 4 | true | 0.489713 | 0.010951 | -0.868213 | false | 0.494845 | -0.47383 | ['F', 'Fe', 'Li', 'O'] |
mp-1235306 | LiFe6(OF2)4 | 4 | true | -0.096605 | 0.172005 | -0.868213 | false | 0.273555 | -0.594849 | ['F', 'Fe', 'Li', 'O'] |
mp-1235319 | LiSc4(FeO3)4 | 4 | true | -0.749765 | -0.323797 | 0.021763 | true | 0.469184 | -0.589557 | ['Fe', 'Li', 'O', 'Sc'] |
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