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-1175365 | Li7Mn5O12 | 3 | true | -0.166014 | 0.061787 | -0.868213 | false | 0.076567 | -0.59885 | ['Li', 'Mn', 'O'] |
mp-1175375 | Li7Mn5O12 | 3 | true | -0.157884 | 0.063931 | -0.613218 | false | 0.090432 | 0.03363 | ['Li', 'Mn', 'O'] |
mp-1175362 | Li7Mn5O12 | 3 | true | -0.165802 | 0.061843 | -0.238107 | false | 0.067357 | -0.596564 | ['Li', 'Mn', 'O'] |
mp-1174577 | Li7Co5O12 | 3 | true | 0.529554 | 0.367852 | -0.868213 | false | 0.198291 | -0.603923 | ['Co', 'Li', 'O'] |
mp-1175360 | Li7Mn5O12 | 3 | true | -0.134473 | 0.070105 | -0.868213 | false | 0.035822 | -0.588614 | ['Li', 'Mn', 'O'] |
mp-1175359 | Li7Mn5O12 | 3 | true | -0.167318 | 0.061443 | -0.254628 | false | 0.073758 | 0.04184 | ['Li', 'Mn', 'O'] |
mp-1175347 | Li7Mn5O12 | 3 | true | -0.169152 | 0.06096 | -0.868213 | false | 0.066995 | 0.045201 | ['Li', 'Mn', 'O'] |
mp-1175354 | Li7Mn5O12 | 3 | true | -0.191152 | 0.055157 | -0.022655 | false | 0.065686 | 0.045853 | ['Li', 'Mn', 'O'] |
mp-1175378 | Li7Mn5O12 | 3 | true | -0.144565 | 0.067444 | -0.677475 | false | 0.079422 | -0.599555 | ['Li', 'Mn', 'O'] |
mp-1175581 | Li7Mn5O12 | 3 | true | -0.046639 | 0.09327 | -0.868213 | false | -0.0394 | -0.568831 | ['Li', 'Mn', 'O'] |
mp-1638910 | Li7Mn5O12 | 3 | true | -0.170991 | 0.060475 | 0.019935 | true | 0.055904 | 0.05075 | ['Li', 'Mn', 'O'] |
mp-675260 | Li7Mn11O24 | 3 | true | -0.010694 | -0.072974 | -0.868213 | false | 0.274519 | -0.043156 | ['Li', 'Mn', 'O'] |
mp-685293 | Li7Mn11O24 | 3 | true | -0.044011 | -0.08176 | -0.868213 | false | 0.155041 | 2.507605 | ['Li', 'Mn', 'O'] |
mp-757087 | Li7Cr5O12 | 3 | false | -0.356539 | -0.018141 | -0.868213 | false | 0.062491 | -0.613701 | ['Cr', 'Li', 'O'] |
mp-758593 | Li7Ni13O24 | 3 | true | 0.799427 | 0.38289 | -0.868213 | false | 0.765311 | -0.066789 | ['Li', 'Ni', 'O'] |
mp-759692 | Li7V5O12 | 3 | false | -0.501768 | -0.022039 | -0.868213 | false | 0.05392 | -0.618213 | ['Li', 'O', 'V'] |
mp-764764 | Li7Mn5O12 | 3 | true | -0.200778 | 0.052619 | -0.435548 | false | 0.101418 | 0.028278 | ['Li', 'Mn', 'O'] |
mp-765632 | Li7Mn11O24 | 3 | true | -0.015863 | -0.074337 | -0.868213 | false | 0.125115 | 0.02462 | ['Li', 'Mn', 'O'] |
mp-766574 | Li7(NiO2)10 | 3 | true | 0.730379 | 0.397301 | -0.868213 | false | 0.635785 | -0.263446 | ['Li', 'Ni', 'O'] |
mp-767763 | Li7Mn8O20 | 3 | true | -0.044949 | -0.011859 | -0.868213 | false | 0.039086 | 0.796525 | ['Li', 'Mn', 'O'] |
mp-766393 | Li7Ti11O24 | 3 | false | -1.378733 | -0.33752 | -0.868213 | false | -0.15213 | 0.067288 | ['Li', 'O', 'Ti'] |
mp-766823 | Li7Ti11O24 | 3 | false | -1.379297 | -0.337669 | -0.868213 | false | -0.087227 | 0.032304 | ['Li', 'O', 'Ti'] |
mp-771155 | Li7Co5O12 | 3 | true | 0.238206 | 0.291015 | -0.406162 | false | 0.62206 | -0.689758 | ['Co', 'Li', 'O'] |
mp-779455 | Li7Ti5O12 | 3 | false | -1.091756 | -0.105799 | -0.868213 | false | -0.027173 | -0.617827 | ['Li', 'O', 'Ti'] |
mp-530141 | Li7Ti16O32 | 3 | false | -1.41891 | -0.407657 | -0.868213 | false | -0.081059 | 0.514413 | ['Li', 'O', 'Ti'] |
mp-531248 | Li7Mn17O32 | 3 | true | 0.005311 | -0.156439 | -0.868213 | false | 0.495002 | 0.357832 | ['Li', 'Mn', 'O'] |
mp-531650 | Li7Mn16O32 | 3 | true | 0.014275 | -0.136588 | -0.868213 | false | 0.416124 | 0.340617 | ['Li', 'Mn', 'O'] |
mp-36063 | Li7MnAs4 | 3 | true | 1.662792 | 0.980987 | -0.868213 | false | -0.497474 | 0.047899 | ['As', 'Li', 'Mn'] |
mp-582259 | Li7VN4 | 3 | false | 1.124436 | 0.207777 | 0.612394 | true | -0.973748 | -0.588098 | ['Li', 'N', 'V'] |
mp-780217 | Li7CuO4 | 3 | false | 0.178952 | 0.685198 | 0.654442 | true | -0.660966 | -0.626683 | ['Cu', 'Li', 'O'] |
mp-28592 | Li7Br3O2 | 3 | false | 0.055825 | 0.872374 | 2.006333 | true | -0.448408 | -0.739515 | ['Br', 'Li', 'O'] |
mp-767553 | Li7Sb2S | 3 | false | 1.265736 | 1.125179 | -0.868213 | false | -0.666111 | 1.018968 | ['Li', 'S', 'Sb'] |
mp-28891 | Li7TaO6 | 3 | false | -0.572172 | 0.249708 | 2.093001 | true | 0.194516 | -0.85188 | ['Li', 'O', 'Ta'] |
mp-27453 | Li7SbO6 | 3 | false | -0.189718 | 0.510939 | 1.499729 | true | -0.31427 | -0.848851 | ['Li', 'O', 'Sb'] |
mp-37399 | Li7NbO6 | 3 | false | -0.479795 | 0.310663 | 1.527084 | true | -0.545716 | -0.850105 | ['Li', 'Nb', 'O'] |
mp-754060 | Li7BiO6 | 3 | false | 0.009412 | 0.568408 | 0.428224 | true | 0.366056 | -0.843648 | ['Bi', 'Li', 'O'] |
mp-752471 | Li7FeO6 | 3 | true | 0.108034 | 0.499498 | -0.646531 | false | -0.72116 | -0.878526 | ['Fe', 'Li', 'O'] |
mp-937761 | Li7ZrO6 | 3 | false | -0.423674 | 0.357661 | -0.868213 | false | -0.656998 | -0.829704 | ['Li', 'O', 'Zr'] |
mp-673833 | Li7VAs4 | 3 | false | 1.301322 | -0.28513 | -0.259097 | false | -0.431074 | -0.005534 | ['As', 'Li', 'V'] |
mp-867726 | Li7(CoO3)2 | 3 | true | 0.227069 | 0.489945 | -0.672126 | false | -0.53947 | -0.383214 | ['Co', 'Li', 'O'] |
mp-34052 | Li7Ti7O16 | 3 | false | -1.210549 | -0.209946 | -0.868213 | false | -0.133382 | -0.374401 | ['Li', 'O', 'Ti'] |
mp-757896 | Li7Mn14O32 | 3 | true | 0.041267 | -0.092518 | -0.868213 | false | 0.123978 | 0.381915 | ['Li', 'Mn', 'O'] |
mp-1175490 | Li7Mn5O12 | 3 | true | 0.016956 | 0.110042 | -0.868213 | false | -0.017338 | -0.574757 | ['Li', 'Mn', 'O'] |
mp-1222572 | Li7Cu2N3 | 3 | false | 1.694234 | 0.394916 | -0.650933 | false | -0.623741 | -0.867721 | ['Cu', 'Li', 'N'] |
mp-29974 | RbLi7Ge8 | 3 | false | 1.903919 | 1.110093 | -0.740783 | false | -0.186686 | 2.713465 | ['Ge', 'Li', 'Rb'] |
mp-1222475 | Li7Mn2N3 | 3 | true | 1.761779 | 0.632406 | -0.868213 | false | -0.86193 | -0.847686 | ['Li', 'Mn', 'N'] |
mp-1211673 | Li7Mg8Zn9 | 3 | false | 1.989225 | 1.607065 | -0.868213 | false | -0.268361 | 3.52486 | ['Li', 'Mg', 'Zn'] |
mp-768990 | Li7NbS6 | 3 | false | 0.657877 | 0.711372 | 0.731766 | true | -1.10494 | 1.813106 | ['Li', 'Nb', 'S'] |
mp-1174246 | Li7Co5O12 | 3 | true | 0.25147 | 0.294513 | -0.556884 | false | 0.642718 | -0.693352 | ['Co', 'Li', 'O'] |
mp-1174292 | Li7Co5O12 | 3 | true | 0.299845 | 0.307271 | -0.468523 | false | 0.340484 | -0.63557 | ['Co', 'Li', 'O'] |
mp-1174293 | Li7Co5O12 | 3 | true | 0.337859 | 0.317296 | -0.524045 | false | 0.252536 | -0.61638 | ['Co', 'Li', 'O'] |
mp-1174271 | Li7Co5O12 | 3 | true | 0.291181 | 0.304986 | -0.403996 | false | 0.342458 | -0.635987 | ['Co', 'Li', 'O'] |
mp-1174229 | Li7Co5O12 | 3 | true | 0.304628 | 0.308532 | -0.868213 | false | 0.350688 | -0.63772 | ['Co', 'Li', 'O'] |
mp-1174265 | Li7Co5O12 | 3 | true | 0.292954 | 0.305453 | -0.868213 | false | 0.322754 | -0.631797 | ['Co', 'Li', 'O'] |
mp-1174266 | Li7Co5O12 | 3 | true | 0.330155 | 0.315264 | -0.613557 | false | 0.264874 | -0.619146 | ['Co', 'Li', 'O'] |
mp-1174223 | Li7Co5O12 | 3 | true | 0.295019 | 0.305998 | -0.837811 | false | 0.300965 | -0.627096 | ['Co', 'Li', 'O'] |
mp-1174245 | Li7Co5O12 | 3 | true | 0.348849 | 0.320195 | -0.51944 | false | 0.246076 | -0.614922 | ['Co', 'Li', 'O'] |
mp-1174366 | Li7Co5O12 | 3 | true | 0.299263 | 0.307117 | -0.868213 | false | 0.297361 | -0.626311 | ['Co', 'Li', 'O'] |
mp-1174374 | Li7Co5O12 | 3 | true | 0.304314 | 0.308449 | -0.657636 | false | 0.332251 | -0.633824 | ['Co', 'Li', 'O'] |
mp-1175313 | Li7Mn5O12 | 3 | true | -0.1896 | 0.055567 | -0.184481 | false | 0.079256 | 0.039121 | ['Li', 'Mn', 'O'] |
mp-1174315 | Li7Co5O12 | 3 | true | 0.300903 | 0.30755 | -0.854197 | false | 0.294296 | -0.625642 | ['Co', 'Li', 'O'] |
mp-1174328 | Li7Co5O12 | 3 | true | 0.34488 | 0.319148 | -0.868213 | false | 0.277402 | -0.621929 | ['Co', 'Li', 'O'] |
mp-1174305 | Li7Co5O12 | 3 | true | 0.318868 | 0.312288 | -0.868213 | false | 0.331591 | -0.633684 | ['Co', 'Li', 'O'] |
mp-1174384 | Li7Co5O12 | 3 | true | 0.343062 | 0.318668 | -0.868213 | false | 0.27634 | -0.621694 | ['Co', 'Li', 'O'] |
mp-1174494 | Li7Co5O12 | 3 | true | 0.306165 | 0.308938 | -0.844582 | false | 0.33619 | -0.031172 | ['Co', 'Li', 'O'] |
mp-1174804 | Li7Co5O12 | 3 | true | 0.320128 | 0.31262 | -0.868213 | false | 0.332276 | -0.633829 | ['Co', 'Li', 'O'] |
mp-1175308 | Li7Mn5O12 | 3 | true | -0.187205 | 0.056198 | -0.200257 | false | 0.083014 | 0.03727 | ['Li', 'Mn', 'O'] |
mp-1175310 | Li7Mn5O12 | 3 | true | -0.157976 | 0.063907 | -0.868213 | false | 0.078875 | 0.03931 | ['Li', 'Mn', 'O'] |
mp-1174307 | Li7Co5O12 | 3 | true | 0.34937 | 0.320332 | -0.535352 | false | 0.255731 | -0.617099 | ['Co', 'Li', 'O'] |
mp-1174313 | Li7Co5O12 | 3 | true | 0.286309 | 0.303701 | -0.144938 | false | 0.318133 | -0.630806 | ['Co', 'Li', 'O'] |
mp-1174364 | Li7Co5O12 | 3 | true | 0.335396 | 0.316647 | -0.569004 | false | 0.335892 | -0.634598 | ['Co', 'Li', 'O'] |
mp-1175316 | Li7Mn5O12 | 3 | true | -0.172291 | 0.060132 | -0.868213 | false | 0.082437 | -0.600298 | ['Li', 'Mn', 'O'] |
mp-1175321 | Li7Mn5O12 | 3 | true | -0.169861 | 0.060773 | -0.868213 | false | 0.08566 | 0.035969 | ['Li', 'Mn', 'O'] |
mp-1175335 | Li7Mn5O12 | 3 | true | -0.170243 | 0.060672 | -0.414694 | false | 0.083776 | 0.036895 | ['Li', 'Mn', 'O'] |
mp-1175337 | Li7Mn5O12 | 3 | true | -0.174532 | 0.059541 | -0.868213 | false | 0.086277 | -0.601241 | ['Li', 'Mn', 'O'] |
mp-1175317 | Li7Mn5O12 | 3 | true | -0.184081 | 0.057022 | -0.868213 | false | 0.081927 | 0.037805 | ['Li', 'Mn', 'O'] |
mp-1175326 | Li7Mn5O12 | 3 | true | -0.171495 | 0.060341 | -0.283337 | false | 0.076379 | 0.040543 | ['Li', 'Mn', 'O'] |
mp-1175339 | Li7Mn5O12 | 3 | true | 0.067698 | 0.123423 | -0.868213 | false | 0.053152 | -0.593007 | ['Li', 'Mn', 'O'] |
mp-1175340 | Li7Mn5O12 | 3 | true | -0.158741 | 0.063705 | -0.576113 | false | 0.075461 | -0.598576 | ['Li', 'Mn', 'O'] |
mp-1175351 | Li7Mn5O12 | 3 | true | -0.158183 | 0.063852 | -0.462361 | false | 0.090319 | 0.033685 | ['Li', 'Mn', 'O'] |
mp-1175334 | Li7Mn5O12 | 3 | true | -0.17325 | 0.059879 | -0.868213 | false | 0.095772 | -0.603563 | ['Li', 'Mn', 'O'] |
mp-1175349 | Li7Mn5O12 | 3 | true | -0.189269 | 0.055654 | -0.189559 | false | 0.064049 | -0.59574 | ['Li', 'Mn', 'O'] |
mp-1175325 | Li7Mn5O12 | 3 | true | -0.182014 | 0.057567 | -0.298978 | false | 0.064602 | -0.595878 | ['Li', 'Mn', 'O'] |
mp-1175314 | Li7Mn5O12 | 3 | true | -0.201108 | 0.052532 | -0.212648 | false | 0.253645 | -0.639825 | ['Li', 'Mn', 'O'] |
mp-1175318 | Li7Mn5O12 | 3 | true | -0.168897 | 0.061027 | -0.403183 | false | 0.085593 | 0.036002 | ['Li', 'Mn', 'O'] |
mp-1175324 | Li7Mn5O12 | 3 | true | -0.127216 | 0.072019 | -0.868213 | false | 0.054424 | -0.593328 | ['Li', 'Mn', 'O'] |
mp-1175328 | Li7Mn5O12 | 3 | true | -0.170995 | 0.060473 | -0.868213 | false | 0.09386 | -0.603097 | ['Li', 'Mn', 'O'] |
mp-1175332 | Li7Mn5O12 | 3 | true | -0.171941 | 0.060224 | -0.868213 | false | 0.082645 | -0.600349 | ['Li', 'Mn', 'O'] |
mp-1175344 | Li7Mn5O12 | 3 | true | -0.162799 | 0.062635 | -0.411918 | false | 0.062337 | -0.595312 | ['Li', 'Mn', 'O'] |
mp-1175373 | Li7Mn5O12 | 3 | true | -0.160462 | 0.063251 | -0.489445 | false | 0.070867 | -0.597437 | ['Li', 'Mn', 'O'] |
mp-1175323 | Li7Mn5O12 | 3 | true | -0.169813 | 0.060785 | -0.409954 | false | 0.082376 | 0.037584 | ['Li', 'Mn', 'O'] |
mp-1175331 | Li7Mn5O12 | 3 | true | -0.176513 | 0.059018 | -0.868213 | false | 0.076493 | -0.598832 | ['Li', 'Mn', 'O'] |
mp-1175343 | Li7Mn5O12 | 3 | true | -0.17969 | 0.05818 | -0.533118 | false | 0.065581 | 0.045905 | ['Li', 'Mn', 'O'] |
mp-1176887 | Li7Fe3O10 | 3 | true | 0.222392 | 0.317099 | -0.868213 | false | -0.23329 | -0.707964 | ['Fe', 'Li', 'O'] |
mp-1232439 | Li7Mn5O12 | 3 | true | -0.179731 | 0.05817 | -0.811946 | false | 0.085472 | -0.601044 | ['Li', 'Mn', 'O'] |
mp-1346728 | Li7Mn5O12 | 3 | true | 2.009532 | 0.63554 | -0.757508 | false | 0.088986 | -0.601906 | ['Li', 'Mn', 'O'] |
mp-1639283 | Li7Mn5O12 | 3 | true | -0.181172 | 0.05779 | -0.260993 | false | 0.067115 | 0.045141 | ['Li', 'Mn', 'O'] |
mp-1639032 | Li7Mn5O12 | 3 | true | -0.183955 | 0.057055 | -0.333307 | false | 0.076996 | 0.040238 | ['Li', 'Mn', 'O'] |
mp-1643648 | Li7Mn5O12 | 3 | true | -0.183274 | 0.057235 | -0.295999 | false | 0.067939 | 0.04473 | ['Li', 'Mn', 'O'] |
mp-1644867 | Li7Mn5O12 | 3 | true | -0.183592 | 0.057151 | -0.346578 | false | 0.08155 | 0.03799 | ['Li', 'Mn', 'O'] |
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