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-1174918 | Li7Mn2(CoO4)3 | 4 | true | 0.094185 | 0.203983 | -0.853723 | false | 0.227859 | -0.62014 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174924 | Li7Mn2(CoO4)3 | 4 | true | 0.092463 | 0.203529 | -0.250972 | false | 0.229179 | -0.620438 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174884 | Li7Mn2(CoO4)3 | 4 | true | 0.098983 | 0.205248 | -0.556748 | false | 0.244231 | -0.623815 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174923 | Li7Mn2(CoO4)3 | 4 | true | 0.08342 | 0.201144 | -0.464731 | false | 0.21019 | -0.616124 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174927 | Li7Mn2(CoO4)3 | 4 | true | 0.098189 | 0.205039 | -0.570223 | false | 0.248721 | -0.624815 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174920 | Li7Mn2(CoO4)3 | 4 | true | 0.082125 | 0.200803 | -0.348677 | false | 0.244994 | -0.623985 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174929 | Li7Mn2(CoO4)3 | 4 | true | 0.097306 | 0.204806 | -0.792581 | false | 0.258428 | -0.626966 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174934 | Li7Mn2(CoO4)3 | 4 | true | 0.102331 | 0.206131 | -0.854806 | false | 0.218107 | -0.61793 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174936 | Li7Mn2(CoO4)3 | 4 | true | 0.154533 | 0.219899 | -0.868213 | false | 0.234826 | -0.621709 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174940 | Li7Mn2(CoO4)3 | 4 | true | 0.099484 | 0.20538 | -0.371563 | false | 0.210025 | -0.616087 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174955 | Li7Mn2(CoO4)3 | 4 | true | 0.082486 | 0.200898 | -0.383412 | false | 0.208303 | -0.615692 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174963 | Li7Mn2(CoO4)3 | 4 | true | 0.106947 | 0.207349 | -0.267628 | false | 0.217919 | -0.617887 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174973 | Li7Mn2(CoO4)3 | 4 | true | 0.085542 | 0.201704 | -0.245216 | false | 0.218813 | -0.618091 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175044 | Li7Mn2(CoO4)3 | 4 | true | 0.15789 | 0.220784 | -0.868213 | false | 0.17297 | -0.607492 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175046 | Li7Mn2(CoO4)3 | 4 | true | 0.133539 | 0.214362 | -0.868213 | false | 0.177047 | -0.60845 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174949 | Li7Mn2(CoO4)3 | 4 | true | 0.092077 | 0.203427 | -0.126928 | false | 0.221964 | -0.618806 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174956 | Li7Mn2(CoO4)3 | 4 | true | 0.091453 | 0.203263 | -0.113927 | false | 0.214996 | -0.617222 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174992 | Li7Mn2(CoO4)3 | 4 | true | 0.111887 | 0.208652 | -0.868213 | false | 0.223328 | -0.619115 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174997 | Li7Mn2(CoO4)3 | 4 | true | 0.0983 | 0.205068 | -0.561285 | false | 0.228706 | -0.620331 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175038 | Li7Mn2(CoO4)3 | 4 | true | 0.13065 | 0.2136 | -0.868213 | false | 0.199005 | -0.613555 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175039 | Li7Mn2(CoO4)3 | 4 | true | 0.131006 | 0.213694 | -0.868213 | false | 0.187453 | -0.61088 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174935 | Li7Mn2(CoO4)3 | 4 | true | 0.081503 | 0.200639 | -0.238987 | false | 0.253445 | -0.625864 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174951 | Li7Mn2(CoO4)3 | 4 | true | 0.092838 | 0.203628 | -0.506576 | false | 0.206887 | -0.615368 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174943 | Li7Mn2(CoO4)3 | 4 | true | 0.072732 | 0.198325 | -0.382599 | false | 0.25879 | -0.627046 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174953 | Li7Mn2(CoO4)3 | 4 | true | 0.093037 | 0.20368 | -0.680454 | false | 0.283029 | -0.632351 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175025 | Li7Mn2(CoO4)3 | 4 | true | 0.089105 | 0.202643 | -0.458637 | false | 0.201013 | -0.614018 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175034 | Li7Mn2(CoO4)3 | 4 | true | 0.08433 | 0.201384 | -0.524925 | false | 0.259171 | -0.62713 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175036 | Li7Mn2(CoO4)3 | 4 | true | 0.130424 | 0.21354 | -0.868213 | false | 0.202572 | -0.614377 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175045 | Li7Mn2(CoO4)3 | 4 | true | 0.132721 | 0.214146 | -0.868213 | false | 0.204402 | -0.614798 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175047 | Li7Mn2(CoO4)3 | 4 | true | 0.155541 | 0.220164 | -0.848509 | false | 0.168148 | -0.606356 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174937 | Li7Mn2(CoO4)3 | 4 | true | 0.075884 | 0.199157 | -0.353484 | false | 0.263709 | -0.62813 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175016 | Li7Mn2(CoO4)3 | 4 | true | 0.129416 | 0.213275 | -0.813639 | false | 0.206178 | -0.615205 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175032 | Li7Mn2(CoO4)3 | 4 | true | 0.133591 | 0.214376 | -0.868213 | false | 0.190503 | -0.611588 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175042 | Li7Mn2(CoO4)3 | 4 | true | 0.161323 | 0.221689 | -0.831785 | false | 0.164734 | -0.60555 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174938 | Li7Mn2(CoO4)3 | 4 | true | 0.120814 | 0.211006 | -0.653709 | false | 0.263674 | -0.628123 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174972 | Li7Mn2(CoO4)3 | 4 | true | 0.09544 | 0.204314 | -0.490122 | false | 0.218476 | -0.618014 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174988 | Li7Mn2(CoO4)3 | 4 | true | 0.094129 | 0.203968 | -0.561691 | false | 0.225937 | -0.619706 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174999 | Li7Mn2(CoO4)3 | 4 | true | 0.211601 | 0.234949 | -0.581869 | false | 0.256178 | -0.626469 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175043 | Li7Mn2(CoO4)3 | 4 | true | 0.133225 | 0.214279 | -0.868213 | false | 0.206619 | -0.615307 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174939 | Li7Mn2(CoO4)3 | 4 | true | 0.089065 | 0.202633 | 0.030362 | true | 0.244405 | -0.623854 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174964 | Li7Mn2(CoO4)3 | 4 | true | 0.115069 | 0.209491 | -0.301889 | false | 0.213782 | -0.616945 | ['Co', 'Li', 'Mn', 'O'] |
mp-1177038 | Li7V3P8O29 | 4 | false | -0.779002 | -0.070689 | -0.801587 | false | -0.766132 | 2.123405 | ['Li', 'O', 'P', 'V'] |
mp-1176957 | Li7Mn4(P2O7)4 | 4 | true | -0.724829 | -0.083863 | -0.780055 | false | -0.553263 | 1.924613 | ['Li', 'Mn', 'O', 'P'] |
mp-1176972 | Li7V3P8O29 | 4 | false | -0.78863 | -0.073228 | -0.331546 | false | -0.773515 | 2.137705 | ['Li', 'O', 'P', 'V'] |
mp-1177028 | Li7Mn4(P2O7)4 | 4 | true | -0.725737 | -0.084103 | -0.777414 | false | -0.533916 | 1.893634 | ['Li', 'Mn', 'O', 'P'] |
mp-1177121 | Li7Fe4(PO4)6 | 4 | true | -0.582035 | -0.019388 | 0.253533 | true | -0.53856 | 0.132299 | ['Fe', 'Li', 'O', 'P'] |
mp-1177074 | Li7Mn4(P2O7)4 | 4 | true | -0.725487 | -0.084037 | -0.708757 | false | -0.545294 | 1.911779 | ['Li', 'Mn', 'O', 'P'] |
mp-1177127 | Li7Mn4(P2O7)4 | 4 | true | -0.723167 | -0.083425 | -0.818988 | false | -0.546392 | 1.913541 | ['Li', 'Mn', 'O', 'P'] |
mp-1222932 | Li7Ho3(MoO4)8 | 4 | false | -0.510394 | -0.175736 | 1.419629 | true | 0.609017 | 0.637311 | ['Ho', 'Li', 'Mo', 'O'] |
mp-1223167 | Li7Eu3(MoO4)8 | 4 | false | -0.112206 | -0.169787 | -0.820478 | false | 0.44197 | 0.701186 | ['Eu', 'Li', 'Mo', 'O'] |
mp-1239225 | Li7SiPO8 | 4 | false | -0.739192 | 0.255125 | 1.958123 | true | -1.039981 | -0.209031 | ['Li', 'O', 'P', 'Si'] |
mp-1323692 | Li7Mn(OF)3 | 4 | true | 0.256582 | 0.712977 | -0.234992 | false | -0.960753 | -0.374083 | ['F', 'Li', 'Mn', 'O'] |
mp-1323962 | Li7V(O2F)2 | 4 | false | 0.209065 | 0.639183 | 0.166255 | true | -0.855787 | -0.456089 | ['F', 'Li', 'O', 'V'] |
mp-1345097 | Li7Mn2(CoO4)3 | 4 | true | 0.678056 | 0.357966 | -0.868213 | false | 0.183869 | -0.610045 | ['Co', 'Li', 'Mn', 'O'] |
mp-1370991 | Li7Co(O2F)2 | 4 | true | 0.278368 | 0.697883 | -0.128959 | false | -0.809739 | -0.447107 | ['Co', 'F', 'Li', 'O'] |
mp-1367805 | Li7Fe(O2F)2 | 4 | true | 0.371114 | 0.694642 | -0.862864 | false | -0.845905 | -0.441819 | ['F', 'Fe', 'Li', 'O'] |
mp-1376868 | Li7Mn(O2F)2 | 4 | true | 0.26244 | 0.651641 | 0.237012 | true | -0.841296 | -0.447509 | ['F', 'Li', 'Mn', 'O'] |
mp-1374313 | Li7Ni(O2F)2 | 4 | true | 0.314627 | 0.735492 | -0.496893 | false | -0.74003 | -0.479147 | ['F', 'Li', 'Ni', 'O'] |
mp-1392200 | Li7VO5F | 4 | false | 0.613145 | 0.682869 | 0.0653 | true | -0.781416 | -0.86952 | ['F', 'Li', 'O', 'V'] |
mp-1651188 | Li7Mn4CoO12 | 4 | true | -0.113557 | 0.100146 | -0.332291 | false | 0.165507 | 0.007516 | ['Co', 'Li', 'Mn', 'O'] |
mp-1648338 | Li7Mn2(CoO4)3 | 4 | true | 0.137215 | 0.215331 | -0.535217 | false | 0.194679 | -0.612556 | ['Co', 'Li', 'Mn', 'O'] |
mp-1651930 | Li7Mn4CoO12 | 4 | true | -0.070647 | 0.111463 | -0.760351 | false | 0.13272 | 0.022976 | ['Co', 'Li', 'Mn', 'O'] |
mp-1649779 | Li7Mn2(CoO4)3 | 4 | true | 0.090029 | 0.202887 | -0.268102 | false | 0.238126 | -0.00675 | ['Co', 'Li', 'Mn', 'O'] |
mp-1662701 | Li7Ni(O2F)2 | 4 | true | -0.175377 | 0.606265 | -0.331411 | false | -0.781826 | 0.316587 | ['F', 'Li', 'Ni', 'O'] |
mp-1663705 | Li7Ni(O2F)2 | 4 | true | -0.168907 | 0.607971 | -0.076822 | false | -0.78776 | -0.458101 | ['F', 'Li', 'Ni', 'O'] |
mp-1666339 | Li7Mn4CoO12 | 4 | true | -0.118375 | 0.098875 | -0.183465 | false | 0.157393 | -0.613421 | ['Co', 'Li', 'Mn', 'O'] |
mp-1979362 | Li7Mn2(CoO4)3 | 4 | true | 0.120145 | 0.21083 | -0.685668 | false | 0.236153 | -0.005865 | ['Co', 'Li', 'Mn', 'O'] |
mp-1977436 | Li7Mn4CoO12 | 4 | true | -0.097275 | 0.10444 | -0.655605 | false | 0.149185 | 0.015164 | ['Co', 'Li', 'Mn', 'O'] |
mp-1667122 | Li7Mn4CoO12 | 4 | true | -0.089623 | 0.106458 | -0.558847 | false | 0.153239 | 0.013256 | ['Co', 'Li', 'Mn', 'O'] |
mp-729675 | Li7V8(PO4)12 | 4 | false | -0.784511 | -0.171191 | -0.265868 | false | -0.537388 | 1.358239 | ['Li', 'O', 'P', 'V'] |
mp-752966 | Li7VO5F | 4 | false | -0.387191 | 0.419052 | 0.407369 | true | -0.820596 | -0.860967 | ['F', 'Li', 'O', 'V'] |
mp-753538 | Li7MnO5F | 4 | true | -0.219803 | 0.461578 | 0.009575 | true | -0.74321 | 0.233507 | ['F', 'Li', 'Mn', 'O'] |
mp-753376 | Li7Mn(O2F)2 | 4 | true | -0.402252 | 0.476342 | 0.906389 | true | -0.829532 | 0.332056 | ['F', 'Li', 'Mn', 'O'] |
mp-753379 | Li7V(O2F)2 | 4 | false | -0.475767 | 0.458573 | -0.190439 | false | -0.825429 | 0.297769 | ['F', 'Li', 'O', 'V'] |
mp-753931 | Li7Mn(OF)3 | 4 | true | -0.305166 | 0.564828 | 1.051627 | true | -0.866508 | -0.423659 | ['F', 'Li', 'Mn', 'O'] |
mp-754420 | Li7FeO5F | 4 | true | -0.120387 | 0.502138 | -0.381245 | false | -0.782884 | -0.860094 | ['F', 'Fe', 'Li', 'O'] |
mp-756759 | Li7Fe7SiO16 | 4 | true | 0.009407 | 0.069482 | 0.169438 | true | -0.348099 | -0.163982 | ['Fe', 'Li', 'O', 'Si'] |
mp-757263 | Li7V3P8O29 | 4 | false | -0.781025 | -0.071222 | -0.48132 | false | -0.772172 | 2.135094 | ['Li', 'O', 'P', 'V'] |
mp-757373 | Li7V3P8O29 | 4 | false | -0.778095 | -0.07045 | -0.155366 | false | -0.765808 | 2.12278 | ['Li', 'O', 'P', 'V'] |
mp-756994 | Li7Fe7SiO16 | 4 | true | -0.053329 | 0.052937 | 0.49336 | true | -0.348865 | -0.163601 | ['Fe', 'Li', 'O', 'Si'] |
mp-757637 | Li7V3P8O29 | 4 | false | -0.790535 | -0.073731 | -0.550587 | false | -0.780165 | 2.150689 | ['Li', 'O', 'P', 'V'] |
mp-757654 | Li7V3P8O29 | 4 | false | -0.782411 | -0.071588 | -0.868213 | false | -0.774947 | 2.140491 | ['Li', 'O', 'P', 'V'] |
mp-757689 | Li7V3P8O29 | 4 | false | -0.774628 | -0.069535 | -0.866114 | false | -0.744891 | 2.082931 | ['Li', 'O', 'P', 'V'] |
mp-757432 | Li7V3P8O29 | 4 | false | -0.770393 | -0.068419 | -0.625812 | false | -0.774759 | 2.140125 | ['Li', 'O', 'P', 'V'] |
mp-757679 | Li7V3P8O29 | 4 | false | -0.780365 | -0.071049 | -0.554446 | false | -0.780025 | 2.150414 | ['Li', 'O', 'P', 'V'] |
mp-757710 | Li7V3P8O29 | 4 | false | -0.785771 | -0.072474 | -0.34326 | false | -0.781326 | 2.152966 | ['Li', 'O', 'P', 'V'] |
mp-757708 | Li7V3P8O29 | 4 | false | -0.780843 | -0.071174 | -0.478679 | false | -0.779251 | 2.148899 | ['Li', 'O', 'P', 'V'] |
mp-757389 | Li7Mn11(Si3O16)2 | 4 | true | -0.497095 | -0.172774 | -0.674902 | false | 0.103577 | 0.399107 | ['Li', 'Mn', 'O', 'Si'] |
mp-757556 | Li7V3P8O29 | 4 | false | -0.78735 | -0.072891 | -0.251039 | false | -0.782976 | 2.156208 | ['Li', 'O', 'P', 'V'] |
mp-758444 | Li7V4O11F | 4 | false | -0.592269 | 0.044856 | 0.207829 | true | -0.234294 | -0.607279 | ['F', 'Li', 'O', 'V'] |
mp-759231 | Li7V4O11F | 4 | false | -0.568132 | 0.051222 | -0.166741 | false | -0.190583 | -0.619173 | ['F', 'Li', 'O', 'V'] |
mp-759513 | Li7Ni(O2F)2 | 4 | true | -0.149029 | 0.613213 | -0.089213 | false | -0.74003 | -0.479147 | ['F', 'Li', 'Ni', 'O'] |
mp-759471 | Li7VO5F | 4 | false | -0.402795 | 0.414937 | 0.474131 | true | -0.781416 | -0.86952 | ['F', 'Li', 'O', 'V'] |
mp-759770 | Li7Co(OF)3 | 4 | true | -0.398253 | 0.582321 | 0.77185 | true | -0.777912 | -0.450535 | ['Co', 'F', 'Li', 'O'] |
mp-759661 | Li7FeO5F | 4 | true | -0.132729 | 0.498883 | -0.712278 | false | -0.960862 | 0.447909 | ['F', 'Fe', 'Li', 'O'] |
mp-760033 | Li7Mn4(PO4)6 | 4 | true | -0.653584 | -0.057845 | -0.746132 | false | -0.565578 | 0.145362 | ['Li', 'Mn', 'O', 'P'] |
mp-760223 | Li7V3P8O29 | 4 | false | -0.780045 | -0.070964 | -0.824202 | false | -0.78277 | 2.155804 | ['Li', 'O', 'P', 'V'] |
mp-760137 | Li7V(O2F)2 | 4 | false | -0.484456 | 0.456282 | 0.642051 | true | -0.823964 | 0.296434 | ['F', 'Li', 'O', 'V'] |
mp-760174 | Li7Fe4NiO12 | 4 | true | 0.252644 | 0.246548 | -0.868213 | false | 0.263411 | -0.63339 | ['Fe', 'Li', 'Ni', 'O'] |
mp-760307 | Li7Mn(OF)3 | 4 | true | -0.512177 | 0.510233 | 1.218531 | true | -0.847933 | 0.372616 | ['F', 'Li', 'Mn', 'O'] |
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