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-1236256 | LiLa4Ho4O12 | 4 | false | -1.820644 | -0.315032 | -0.868213 | false | 2.492257 | -0.330977 | ['Ho', 'La', 'Li', 'O'] |
mp-1236283 | LiCo6(OF5)2 | 4 | true | 0.056868 | 0.427615 | -0.674699 | false | 0.344672 | -0.583308 | ['Co', 'F', 'Li', 'O'] |
mp-1236368 | Ba4Li(GeO3)4 | 4 | false | -0.622099 | 0.166398 | -0.706048 | false | 0.655996 | -0.185247 | ['Ba', 'Ge', 'Li', 'O'] |
mp-1236597 | LiCr4In4O12 | 4 | false | -0.014771 | 0.002143 | -0.868213 | false | 1.580736 | -0.558711 | ['Cr', 'In', 'Li', 'O'] |
mp-1285020 | LiCoAsO4 | 4 | true | 0.184371 | 0.198636 | 0.622551 | true | 0.411498 | -0.338348 | ['As', 'Co', 'Li', 'O'] |
mp-1282499 | LiCo2NiO6 | 4 | true | 0.816595 | 0.255686 | -0.653844 | false | 0.482489 | -0.638706 | ['Co', 'Li', 'Ni', 'O'] |
mp-1280737 | LiV2CrO6 | 4 | false | -0.48596 | -0.313393 | -0.050957 | false | 0.30939 | -0.653523 | ['Cr', 'Li', 'O', 'V'] |
mp-1275173 | LiV2CrO6 | 4 | false | -0.483574 | -0.312764 | -0.159835 | false | 0.309795 | -0.945878 | ['Cr', 'Li', 'O', 'V'] |
mp-1290989 | LiV3Zn2O8 | 4 | false | -0.375718 | -0.037263 | -0.076145 | false | 0.568221 | -0.365426 | ['Li', 'O', 'V', 'Zn'] |
mp-1286464 | LiVOF3 | 4 | false | -1.038508 | 0.216357 | 0.63291 | true | -0.557045 | -0.377803 | ['F', 'Li', 'O', 'V'] |
mp-1290583 | LiCo5O7F | 4 | true | 0.579776 | 0.155418 | -0.868213 | false | 0.75928 | -0.388915 | ['Co', 'F', 'Li', 'O'] |
mp-1287634 | LiCrPO4 | 4 | false | -0.561908 | -0.133511 | 0.76359 | true | -0.315532 | -0.787972 | ['Cr', 'Li', 'O', 'P'] |
mp-1290773 | LiFe2(CO3)4 | 4 | true | 0.299084 | -0.14065 | -0.868213 | false | -1.002056 | 0.288839 | ['C', 'Fe', 'Li', 'O'] |
mp-1291989 | LiV3O5F | 4 | false | -0.657587 | -0.254108 | -0.20107 | false | 0.18873 | -0.622751 | ['F', 'Li', 'O', 'V'] |
mp-1303460 | LiCo(CO3)2 | 4 | true | 0.261749 | -0.051494 | -0.475971 | false | -0.779229 | 0.140799 | ['C', 'Co', 'Li', 'O'] |
mp-1301584 | LiV5O7F | 4 | false | -0.584875 | -0.353851 | -0.866994 | false | 0.23157 | -0.318943 | ['F', 'Li', 'O', 'V'] |
mp-1303576 | LiCo(CO3)2 | 4 | true | 0.253096 | -0.053777 | -0.39411 | false | -0.778916 | 0.14055 | ['C', 'Co', 'Li', 'O'] |
mp-1305214 | LiCr(CoO3)2 | 4 | true | 0.422214 | 0.039305 | -0.529258 | false | 0.348477 | -0.625632 | ['Co', 'Cr', 'Li', 'O'] |
mp-1307265 | LiV3OF11 | 4 | false | -1.102025 | 0.247818 | 0.401275 | true | -0.642622 | 0.084438 | ['F', 'Li', 'O', 'V'] |
mp-1311636 | LiV3Zn2O8 | 4 | false | -0.375246 | -0.037139 | -0.172835 | false | 0.562873 | -0.363906 | ['Li', 'O', 'V', 'Zn'] |
mp-1316235 | LiCr(CoO3)2 | 4 | true | 0.617407 | 0.090782 | -0.868213 | false | 0.309157 | -0.927618 | ['Co', 'Cr', 'Li', 'O'] |
mp-1344934 | LiLa8Cu3O16 | 4 | false | 0.314759 | 0.244995 | -0.868213 | false | 2.106366 | -0.150497 | ['Cu', 'La', 'Li', 'O'] |
mp-1344863 | LiMn4(BO3)4 | 4 | true | 0.926598 | 0.060891 | -0.804904 | false | -0.428093 | -0.526044 | ['B', 'Li', 'Mn', 'O'] |
mp-1367296 | LiV4OF11 | 4 | false | 0.015391 | 0.446314 | -0.346578 | false | -0.304198 | -0.604237 | ['F', 'Li', 'O', 'V'] |
mp-1368321 | LiNbPO5 | 4 | false | -0.831449 | -0.2098 | -0.868213 | false | -0.087246 | -0.121127 | ['Li', 'Nb', 'O', 'P'] |
mp-1371937 | LiZnBO3 | 4 | false | 3.243088 | 1.199998 | -0.844041 | false | -0.230577 | -0.499485 | ['B', 'Li', 'O', 'Zn'] |
mp-1376775 | LiFeOF2 | 4 | true | 0.615279 | 0.589488 | -0.817363 | false | -0.103243 | -0.615263 | ['F', 'Fe', 'Li', 'O'] |
mp-1377469 | LiFe7(OF3)3 | 4 | true | 1.000821 | 0.449631 | -0.538128 | false | 0.312746 | -0.536886 | ['F', 'Fe', 'Li', 'O'] |
mp-1377576 | LiV2OF5 | 4 | false | -1.137251 | 0.123568 | -0.269321 | false | -0.272896 | -0.292108 | ['F', 'Li', 'O', 'V'] |
mp-1387325 | LiCo3OF5 | 4 | true | 1.970769 | 0.960979 | -0.556816 | false | 0.374102 | -0.910209 | ['Co', 'F', 'Li', 'O'] |
mp-1388676 | LiV2CoO6 | 4 | true | 6.149751 | 1.509739 | -0.868213 | false | 0.379705 | -0.945247 | ['Co', 'Li', 'O', 'V'] |
mp-1384538 | LiMn3(O2F)2 | 4 | true | 4.798136 | 1.265956 | -0.868213 | false | 0.274194 | -0.922622 | ['F', 'Li', 'Mn', 'O'] |
mp-1402872 | LiV3(O2F)2 | 4 | false | 2.947383 | 0.784659 | -0.561488 | false | 0.122937 | -0.919103 | ['F', 'Li', 'O', 'V'] |
mp-1399494 | LiMn3O5F | 4 | true | 6.16078 | 1.53729 | -0.868213 | false | 0.385348 | -0.938063 | ['F', 'Li', 'Mn', 'O'] |
mp-1401640 | LiNi3OF5 | 4 | true | 2.636438 | 1.25433 | -0.665558 | false | 0.527991 | -0.927586 | ['F', 'Li', 'Ni', 'O'] |
mp-1638998 | LiCo(CO3)2 | 4 | true | 0.286873 | -0.044869 | -0.332359 | false | -0.889561 | 0.23474 | ['C', 'Co', 'Li', 'O'] |
mp-1567236 | LiMn2(BO3)2 | 4 | true | -0.493843 | -0.260613 | -0.301619 | false | -0.412129 | -0.520846 | ['B', 'Li', 'Mn', 'O'] |
mp-1442958 | LiV3O5F | 4 | false | 5.086534 | 1.26078 | -0.868213 | false | 0.188558 | -0.930431 | ['F', 'Li', 'O', 'V'] |
mp-1445091 | LiMn3(O2F)2 | 4 | true | 4.928267 | 1.300275 | -0.868213 | false | 0.265704 | -0.921657 | ['F', 'Li', 'Mn', 'O'] |
mp-1569230 | LiCoP2O7 | 4 | true | -0.368453 | 0.003796 | -0.310015 | false | -0.828281 | 0.592735 | ['Co', 'Li', 'O', 'P'] |
mp-1570353 | LiMn2(BO3)2 | 4 | true | -0.499404 | -0.262079 | -0.412595 | false | -0.39963 | -0.525096 | ['B', 'Li', 'Mn', 'O'] |
mp-1639470 | LiVP2O7 | 4 | false | -0.774669 | -0.154783 | 0.629863 | true | -0.389516 | -0.536399 | ['Li', 'O', 'P', 'V'] |
mp-1443123 | LiV4O5F7 | 4 | false | 0.801438 | 0.446478 | -0.868213 | false | -0.256388 | -0.634774 | ['F', 'Li', 'O', 'V'] |
mp-1638589 | LiCo(CO3)2 | 4 | true | 0.268678 | -0.049667 | -0.614573 | false | -0.819582 | 0.173735 | ['C', 'Co', 'Li', 'O'] |
mp-1639828 | LiCo(CO3)2 | 4 | true | 0.285059 | -0.045347 | -0.432908 | false | -0.895941 | 0.240565 | ['C', 'Co', 'Li', 'O'] |
mp-1647692 | LiCo(CO3)2 | 4 | true | 0.28409 | -0.045602 | -0.440423 | false | -0.913514 | 0.256852 | ['C', 'Co', 'Li', 'O'] |
mp-1661648 | LiFePO4 | 4 | true | -0.484275 | -0.064001 | 1.679634 | true | -0.224173 | -0.352179 | ['Fe', 'Li', 'O', 'P'] |
mp-1984516 | LiCo(CO3)2 | 4 | true | 0.293856 | -0.043027 | -0.603739 | false | -0.896969 | 0.241509 | ['C', 'Co', 'Li', 'O'] |
mp-25289 | LiCo(WO4)2 | 4 | true | 0.029758 | -0.255753 | -0.108037 | false | 1.980901 | -0.836928 | ['Co', 'Li', 'O', 'W'] |
mp-25291 | LiNi(WO4)2 | 4 | true | 0.071264 | -0.212086 | -0.868213 | false | 1.925325 | -0.832073 | ['Li', 'Ni', 'O', 'W'] |
mp-25898 | LiNi2(PO4)3 | 4 | true | 0.01937 | 0.107775 | -0.807003 | false | -0.625368 | 1.549655 | ['Li', 'Ni', 'O', 'P'] |
mp-25952 | LiMoP4O13 | 4 | false | -0.553437 | -0.115053 | -0.199512 | false | -0.859219 | 0.452588 | ['Li', 'Mo', 'O', 'P'] |
mp-26173 | LiBi3(PO5)2 | 4 | false | -0.364307 | 0.102746 | 1.494719 | true | 1.672364 | -0.581552 | ['Bi', 'Li', 'O', 'P'] |
mp-26480 | LiNiP2O7 | 4 | true | -0.33253 | 0.048965 | -0.868213 | false | -0.512171 | -0.468389 | ['Li', 'Ni', 'O', 'P'] |
mp-26546 | LiFeP2O7 | 4 | true | -0.565853 | -0.08352 | 0.660806 | true | -0.606406 | 0.358408 | ['Fe', 'Li', 'O', 'P'] |
mp-26326 | LiFeP2O7 | 4 | true | -0.568753 | -0.084285 | 0.892103 | true | -0.538357 | -0.467435 | ['Fe', 'Li', 'O', 'P'] |
mp-26555 | LiMnP2O7 | 4 | true | -0.627788 | -0.118107 | -0.198632 | false | -0.518216 | 0.28184 | ['Li', 'Mn', 'O', 'P'] |
mp-25948 | LiVP4O13 | 4 | false | -0.605276 | -0.101821 | -0.19159 | false | -0.970269 | 0.386981 | ['Li', 'O', 'P', 'V'] |
mp-26406 | LiCoP2O7 | 4 | true | -0.334992 | 0.012621 | -0.250295 | false | -0.470148 | -0.483499 | ['Co', 'Li', 'O', 'P'] |
mp-26727 | LiVP2O7 | 4 | false | -0.787935 | -0.158282 | 0.5457 | true | -0.567288 | -0.472154 | ['Li', 'O', 'P', 'V'] |
mp-26650 | LiSnP2O7 | 4 | false | -0.524989 | 0.044911 | -0.868213 | false | -0.289503 | -0.372123 | ['Li', 'O', 'P', 'Sn'] |
mp-2912355 | LiSn(PO3)4 | 4 | false | -0.302497 | -0.713413 | 1.176009 | true | -0.421674 | 0.119006 | ['Li', 'O', 'P', 'Sn'] |
mp-31960 | LiMnP2O7 | 4 | true | -0.631787 | -0.119161 | -0.093614 | false | -0.607587 | -0.442435 | ['Li', 'Mn', 'O', 'P'] |
mp-32314 | LiNiP2O7 | 4 | true | -0.343678 | 0.046025 | -0.85203 | false | -0.55788 | 0.337435 | ['Li', 'Ni', 'O', 'P'] |
mp-32471 | LiV(PO4)2 | 4 | false | -0.603882 | -0.105275 | 0.018377 | true | -0.734994 | 0.10625 | ['Li', 'O', 'P', 'V'] |
mp-558808 | LiAl(SiO3)2 | 4 | false | -1.353972 | -0.158602 | 2.449899 | true | -1.169526 | -0.346844 | ['Al', 'Li', 'O', 'Si'] |
mp-556783 | NaLiCO3 | 4 | false | -0.211676 | 0.161637 | 2.189893 | true | -1.036164 | 0.524844 | ['C', 'Li', 'Na', 'O'] |
mp-584942 | LiCoP2O7 | 4 | true | -0.377006 | 0.00154 | 0.341555 | true | -0.401343 | 0.221882 | ['Co', 'Li', 'O', 'P'] |
mp-632692 | LiFe4(PO4)4 | 4 | true | -0.41284 | -0.155702 | -0.355922 | false | -0.21097 | -0.386337 | ['Fe', 'Li', 'O', 'P'] |
mp-672966 | LiCu(PO3)4 | 4 | false | -0.365508 | 0.039245 | -0.405621 | false | -0.637798 | -0.575771 | ['Cu', 'Li', 'O', 'P'] |
mp-673128 | LiCuPO4 | 4 | false | -0.134009 | 0.209543 | -0.868213 | false | -0.361889 | -0.249333 | ['Cu', 'Li', 'O', 'P'] |
mp-689967 | LiMn(PO3)4 | 4 | true | -0.560514 | -0.093792 | 0.286846 | true | -0.667622 | -0.580039 | ['Li', 'Mn', 'O', 'P'] |
mp-684534 | LiNbP4O13 | 4 | false | -0.776856 | -0.162608 | 0.656473 | true | -0.809201 | 2.020929 | ['Li', 'Nb', 'O', 'P'] |
mp-689929 | LiV(PO4)2 | 4 | false | -0.575676 | -0.097837 | 0.047763 | true | -0.66209 | 0.053185 | ['Li', 'O', 'P', 'V'] |
mp-690004 | LiCo(PO3)4 | 4 | true | -0.416879 | -0.023212 | -0.312452 | false | -0.711913 | -0.556689 | ['Co', 'Li', 'O', 'P'] |
mp-705398 | LiFeP4O13 | 4 | true | -0.353676 | -0.026092 | -0.868213 | false | -0.9487 | 2.007508 | ['Fe', 'Li', 'O', 'P'] |
mp-697813 | LiCr2(PO4)3 | 4 | false | -0.453331 | -0.141747 | -0.868213 | false | -0.598329 | 1.420251 | ['Cr', 'Li', 'O', 'P'] |
mp-705056 | LiVP2O7 | 4 | false | -0.783321 | -0.157065 | 0.466751 | true | -0.656947 | 0.368001 | ['Li', 'O', 'P', 'V'] |
mp-705085 | LiCrP4O13 | 4 | false | -0.464921 | -0.073497 | -0.868213 | false | -0.87922 | 0.300349 | ['Cr', 'Li', 'O', 'P'] |
mp-727147 | LiCoP2O7 | 4 | true | 5.891141 | 1.654629 | -0.868213 | false | -0.401343 | 0.221881 | ['Co', 'Li', 'O', 'P'] |
mp-752534 | LiCoSiO4 | 4 | true | -0.363861 | 0.02275 | 0.03456 | true | -0.871082 | -0.619433 | ['Co', 'Li', 'O', 'Si'] |
mp-752468 | LiMn3O5F | 4 | true | -0.141771 | -0.124872 | -0.868213 | false | 0.385348 | -0.938063 | ['F', 'Li', 'Mn', 'O'] |
mp-752632 | LiMn2(CO3)4 | 4 | true | 0.173823 | -0.19482 | -0.036603 | false | -0.892829 | -0.529852 | ['C', 'Li', 'Mn', 'O'] |
mp-752815 | LiV3OF11 | 4 | false | -1.075558 | 0.254798 | 0.173636 | true | -0.541812 | -0.610743 | ['F', 'Li', 'O', 'V'] |
mp-753023 | LiV3(O2F)2 | 4 | false | -0.764457 | -0.194259 | -0.021978 | false | 0.127529 | -0.919659 | ['F', 'Li', 'O', 'V'] |
mp-752765 | LiV2(CO3)4 | 4 | false | -0.027415 | -0.245506 | 0.335055 | true | -1.075364 | -0.457561 | ['C', 'Li', 'O', 'V'] |
mp-753079 | LiMn7(OF3)3 | 4 | true | -0.722079 | -0.07502 | 0.321784 | true | 0.058411 | -0.475352 | ['F', 'Li', 'Mn', 'O'] |
mp-752988 | LiV3(OF2)4 | 4 | false | -0.733772 | 0.179873 | 0.376968 | true | -0.509218 | -0.6354 | ['F', 'Li', 'O', 'V'] |
mp-752985 | LiV3O5F | 4 | false | -0.666348 | -0.256419 | -0.04202 | false | 0.187417 | -0.9303 | ['F', 'Li', 'O', 'V'] |
mp-753225 | LiTiFe2O5 | 4 | true | -0.370648 | -0.218778 | 0.124343 | true | 0.329205 | -0.680936 | ['Fe', 'Li', 'O', 'Ti'] |
mp-753292 | LiCo2(CO3)4 | 4 | true | 0.432776 | -0.064569 | -0.663188 | false | -0.862352 | -0.527395 | ['C', 'Co', 'Li', 'O'] |
mp-753317 | LiNi3OF5 | 4 | true | -0.218048 | 0.501521 | 1.331809 | true | 0.52799 | -0.927586 | ['F', 'Li', 'Ni', 'O'] |
mp-753476 | LiMn2(PO4)2 | 4 | true | -0.551188 | -0.183396 | -0.308389 | false | -0.524692 | -0.246315 | ['Li', 'Mn', 'O', 'P'] |
mp-753549 | LiV6O7F5 | 4 | false | -0.856309 | -0.223599 | 0.170859 | true | 0.288656 | -0.642373 | ['F', 'Li', 'O', 'V'] |
mp-753420 | LiMn2(PO4)2 | 4 | true | -0.559953 | -0.185708 | -0.813368 | false | -0.475341 | -0.270383 | ['Li', 'Mn', 'O', 'P'] |
mp-753440 | LiMn3(OF3)2 | 4 | true | -0.654867 | 0.138384 | -0.041817 | false | -0.316361 | -0.773278 | ['F', 'Li', 'Mn', 'O'] |
mp-753922 | LiMn3OF5 | 4 | true | -0.839984 | 0.043125 | 0.656676 | true | -0.04158 | -0.502944 | ['F', 'Li', 'Mn', 'O'] |
mp-753684 | LiFe(SiO3)2 | 4 | true | -0.829105 | -0.157259 | 1.212979 | true | -1.038822 | -0.300122 | ['Fe', 'Li', 'O', 'Si'] |
mp-753655 | LiTi2Mn3O10 | 4 | true | -0.567161 | -0.327509 | 0.145807 | true | 0.0275 | -0.697508 | ['Li', 'Mn', 'O', 'Ti'] |
mp-754013 | LiV4CuO12 | 4 | false | -0.074846 | -0.120629 | -0.622291 | false | 0.115833 | -0.668328 | ['Cu', 'Li', 'O', 'V'] |
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