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-1175400 | Li9Co7O16 | 3 | true | 0.308934 | 0.293877 | -0.868213 | false | 0.429454 | -0.440116 | ['Co', 'Li', 'O'] |
mp-1175401 | Li9Co7O16 | 3 | true | 0.285634 | 0.287733 | -0.439949 | false | 0.439023 | -0.442706 | ['Co', 'Li', 'O'] |
mp-1175381 | Li9Co7O16 | 3 | true | 0.249632 | 0.278238 | -0.564738 | false | 0.703757 | -0.508249 | ['Co', 'Li', 'O'] |
mp-1175451 | Li9Co7O16 | 3 | true | 0.32752 | 0.298779 | -0.868213 | false | 0.43002 | -0.440269 | ['Co', 'Li', 'O'] |
mp-1175440 | Li9Co7O16 | 3 | true | 0.324698 | 0.298035 | -0.566363 | false | 0.346072 | -0.41681 | ['Co', 'Li', 'O'] |
mp-1175488 | Li9Co7O16 | 3 | true | 0.290414 | 0.288993 | -0.676798 | false | 0.387145 | -0.428458 | ['Co', 'Li', 'O'] |
mp-1175435 | Li9Co7O16 | 3 | true | 0.348399 | 0.304286 | -0.715189 | false | 0.315985 | -0.408063 | ['Co', 'Li', 'O'] |
mp-1175464 | Li9Co7O16 | 3 | true | 0.345167 | 0.303433 | -0.656891 | false | 0.303291 | -0.404316 | ['Co', 'Li', 'O'] |
mp-1175469 | Li9Co7O16 | 3 | true | 0.246586 | 0.277435 | -0.389912 | false | 0.709562 | -0.509565 | ['Co', 'Li', 'O'] |
mp-1175507 | Li9Co7O16 | 3 | true | 0.3135 | 0.295082 | -0.805717 | false | 0.33894 | -0.414753 | ['Co', 'Li', 'O'] |
mp-1175467 | Li9Co7O16 | 3 | true | 0.296291 | 0.290543 | -0.367635 | false | 0.389433 | -0.429097 | ['Co', 'Li', 'O'] |
mp-1175505 | Li9Co7O16 | 3 | true | 0.309854 | 0.29412 | -0.369193 | false | 0.348372 | -0.417471 | ['Co', 'Li', 'O'] |
mp-1175410 | Li9Co7O16 | 3 | true | 0.297022 | 0.290736 | -0.868213 | false | 0.414957 | -0.436159 | ['Co', 'Li', 'O'] |
mp-1175419 | Li9Co7O16 | 3 | true | 0.248058 | 0.277823 | -0.806123 | false | 0.711867 | -0.510087 | ['Co', 'Li', 'O'] |
mp-1175430 | Li9Co7O16 | 3 | true | 0.307731 | 0.29356 | -0.26431 | false | 0.362846 | -0.421607 | ['Co', 'Li', 'O'] |
mp-1175443 | Li9Co7O16 | 3 | true | 0.341753 | 0.302533 | -0.62439 | false | 0.305949 | -0.405104 | ['Co', 'Li', 'O'] |
mp-1175472 | Li9Co7O16 | 3 | true | 0.333731 | 0.300417 | -0.679506 | false | 0.322312 | -0.409918 | ['Co', 'Li', 'O'] |
mp-1175413 | Li9Co7O16 | 3 | true | 0.295799 | 0.290414 | -0.863676 | false | 0.414742 | -0.4361 | ['Co', 'Li', 'O'] |
mp-1175476 | Li9Co7O16 | 3 | true | 0.33964 | 0.301976 | -0.625745 | false | 0.318405 | -0.408773 | ['Co', 'Li', 'O'] |
mp-1175500 | Li9Co7O16 | 3 | true | 0.332006 | 0.299962 | -0.565348 | false | 0.331115 | -0.412485 | ['Co', 'Li', 'O'] |
mp-1175517 | Li9Co7O16 | 3 | true | 0.342969 | 0.302854 | -0.575775 | false | 0.299604 | -0.403222 | ['Co', 'Li', 'O'] |
mp-1175519 | Li9Co7O16 | 3 | true | 0.30758 | 0.293521 | -0.868213 | false | 0.35397 | -0.419076 | ['Co', 'Li', 'O'] |
mp-1175428 | Li9Co7O16 | 3 | true | 0.288381 | 0.288457 | -0.372307 | false | 0.42149 | -0.437947 | ['Co', 'Li', 'O'] |
mp-1175429 | Li9Co7O16 | 3 | true | 0.328504 | 0.299039 | -0.868213 | false | 0.342709 | -0.415841 | ['Co', 'Li', 'O'] |
mp-1175416 | Li9Co7O16 | 3 | true | 0.335881 | 0.300984 | -0.579702 | false | 0.322504 | -0.409974 | ['Co', 'Li', 'O'] |
mp-1175444 | Li9Co7O16 | 3 | true | 0.306289 | 0.29318 | -0.3545 | false | 0.360282 | -0.420878 | ['Co', 'Li', 'O'] |
mp-1175493 | Li9Co7O16 | 3 | true | 0.405311 | 0.319295 | -0.868213 | false | 0.295831 | -0.402099 | ['Co', 'Li', 'O'] |
mp-1175521 | Li9Co7O16 | 3 | true | 0.319168 | 0.296577 | -0.627099 | false | 0.353829 | -0.419036 | ['Co', 'Li', 'O'] |
mp-1330301 | Li9Mn7O16 | 3 | true | 2.451049 | 0.730059 | -0.868213 | false | 0.109571 | -0.376893 | ['Li', 'Mn', 'O'] |
mp-1368827 | Li9Mn7O16 | 3 | true | 1.64668 | 0.517925 | -0.868213 | false | 0.094932 | -0.372051 | ['Li', 'Mn', 'O'] |
mp-675918 | Li9CrN5 | 3 | false | 1.384839 | 0.57849 | -0.146699 | false | -1.029493 | -0.438099 | ['Cr', 'Li', 'N'] |
mp-676252 | Li9(RuO3)10 | 3 | false | 0.451392 | 0.127933 | -0.868213 | false | 0.253256 | 0.5656 | ['Li', 'O', 'Ru'] |
mp-758799 | Li9Co15O28 | 3 | true | 0.566433 | 0.222199 | -0.496555 | false | 0.618166 | 0.192327 | ['Co', 'Li', 'O'] |
mp-759153 | Li9Ni15O28 | 3 | true | 0.752935 | 0.38465 | -0.868213 | false | 0.796933 | 0.111487 | ['Li', 'Ni', 'O'] |
mp-767218 | Li9(NbS2)14 | 3 | false | 0.489781 | 0.106403 | -0.868213 | false | 0.306519 | 1.337963 | ['Li', 'Nb', 'S'] |
mp-769454 | Li9(NiO2)10 | 3 | true | 0.587729 | 0.39969 | -0.623713 | false | 0.742827 | -0.281835 | ['Li', 'Ni', 'O'] |
mp-1177178 | Li9Mn21O40 | 3 | true | -0.077334 | -0.170719 | -0.868213 | false | 0.220718 | 0.943175 | ['Li', 'Mn', 'O'] |
mp-557964 | Li9S3N | 3 | false | 0.881041 | 0.924467 | 0.775236 | true | -1.32905 | -0.768733 | ['Li', 'N', 'S'] |
mp-776979 | Li9(CoO4)2 | 3 | true | 0.134452 | 0.489507 | -0.408938 | false | -0.76957 | 1.03635 | ['Co', 'Li', 'O'] |
mp-775731 | Li9(NiO4)2 | 3 | true | 0.299914 | 0.574475 | -0.868213 | false | -0.769985 | 1.033355 | ['Li', 'Ni', 'O'] |
mp-755939 | Li9(CoO4)2 | 3 | true | 0.170796 | 0.499092 | -0.374271 | false | -0.746835 | -0.67686 | ['Co', 'Li', 'O'] |
mp-1175870 | Li9Mn2Co5O16 | 4 | true | 0.162011 | 0.218343 | -0.295931 | false | 0.29967 | -0.412368 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175846 | Li9Mn2Co5O16 | 4 | true | 0.165341 | 0.219221 | -0.052108 | false | 0.273896 | -0.40472 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175847 | Li9Mn2Co5O16 | 4 | true | 0.165477 | 0.219257 | -0.541988 | false | 0.275388 | -0.405166 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175859 | Li9Mn2Co5O16 | 4 | true | 0.157674 | 0.217199 | -0.629266 | false | 0.327651 | -0.420513 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175886 | Li9Mn2Co5O16 | 4 | true | 0.158355 | 0.217379 | -0.494456 | false | 0.313985 | -0.416555 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175888 | Li9Mn2Co5O16 | 4 | true | 0.146522 | 0.214258 | -0.111422 | false | 0.334054 | -0.422354 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175903 | Li9Mn2Co5O16 | 4 | true | 0.147937 | 0.214631 | 0.127661 | true | 0.282948 | -0.407422 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175904 | Li9Mn2Co5O16 | 4 | true | 0.28581 | 0.25213 | -0.868213 | false | 0.318472 | -0.417859 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175845 | Li9Mn2Co5O16 | 4 | true | 0.156056 | 0.216772 | -0.382464 | false | 0.331207 | -0.421537 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175878 | Li9Mn2Co5O16 | 4 | true | 0.152855 | 0.215928 | -0.082646 | false | 0.295298 | -0.41108 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175877 | Li9Mn2Co5O16 | 4 | true | 0.152516 | 0.215839 | 0.095566 | true | 0.284058 | -0.407752 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175902 | Li9Mn2Co5O16 | 4 | true | 0.171689 | 0.220895 | -0.543748 | false | 0.273435 | -0.404582 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175910 | Li9Mn2Co5O16 | 4 | true | 0.176702 | 0.222217 | -0.519982 | false | 0.295662 | -0.411187 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175861 | Li9Mn2Co5O16 | 4 | true | 0.164704 | 0.219053 | -0.559795 | false | 0.316831 | -0.417382 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175864 | Li9Mn2Co5O16 | 4 | true | 0.151363 | 0.215535 | 0.054873 | true | 0.291957 | -0.410094 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175895 | Li9Mn2Co5O16 | 4 | true | 0.16909 | 0.22021 | -0.753919 | false | 0.265938 | -0.40233 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175896 | Li9Mn2Co5O16 | 4 | true | 0.165421 | 0.219242 | -0.619854 | false | 0.285313 | -0.408125 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175917 | Li9Mn2Co5O16 | 4 | true | 0.175607 | 0.221928 | -0.868213 | false | 0.31814 | -0.417762 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175981 | Li9Mn2Co5O16 | 4 | true | 0.22083 | 0.233855 | -0.868213 | false | 0.232152 | -0.392028 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175923 | Li9Mn2Co5O16 | 4 | true | 0.155953 | 0.216745 | -0.163762 | false | 0.278473 | -0.406088 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175930 | Li9Mn2Co5O16 | 4 | true | 0.163223 | 0.218662 | -0.443064 | false | 0.281293 | -0.406929 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175933 | Li9Mn2Co5O16 | 4 | true | 0.29369 | 0.25307 | -0.868213 | false | 0.287495 | -0.408773 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175936 | Li9Mn2Co5O16 | 4 | true | 0.176259 | 0.2221 | -0.868213 | false | 0.286641 | -0.408519 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175975 | Li9Mn2Co5O16 | 4 | true | 0.155508 | 0.216628 | -0.405282 | false | 0.311357 | -0.415789 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175953 | Li9Mn2Co5O16 | 4 | true | 0.160378 | 0.21905 | -0.581327 | false | 0.323107 | -0.419201 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175946 | Li9Mn2Co5O16 | 4 | true | 0.166307 | 0.219476 | -0.720741 | false | 0.289192 | -0.409276 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175965 | Li9Mn2Co5O16 | 4 | true | 0.162913 | 0.218581 | -0.610713 | false | 0.295584 | -0.411165 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175970 | Li9Mn2Co5O16 | 4 | true | 0.16662 | 0.219558 | -0.504815 | false | 0.31573 | -0.417062 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175950 | Li9Mn2Co5O16 | 4 | true | 0.161614 | 0.218238 | -0.317056 | false | 0.295682 | -0.411193 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175921 | Li9Mn2Co5O16 | 4 | true | 0.180999 | 0.22335 | -0.868213 | false | 0.320682 | -0.418499 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175942 | Li9Mn2Co5O16 | 4 | true | 0.17302 | 0.221246 | -0.776128 | false | 0.265402 | -0.402168 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175947 | Li9Mn2Co5O16 | 4 | true | 0.163971 | 0.21886 | 0.000299 | true | 0.266882 | -0.402614 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175958 | Li9Mn2Co5O16 | 4 | true | 0.208139 | 0.230508 | -0.558644 | false | 0.321569 | -0.418756 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175963 | Li9Mn2Co5O16 | 4 | true | 0.363961 | 0.271603 | -0.868213 | false | 0.321881 | -0.418846 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175968 | Li9Mn2Co5O16 | 4 | true | 0.175773 | 0.221972 | -0.611526 | false | 0.295985 | -0.411283 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175952 | Li9Mn2Co5O16 | 4 | true | 0.218515 | 0.233244 | -0.868213 | false | 0.265015 | -0.402052 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175960 | Li9Mn2Co5O16 | 4 | true | 0.35784 | 0.269988 | -0.691762 | false | 0.290693 | -0.40972 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175969 | Li9Mn2Co5O16 | 4 | true | 0.181248 | 0.223416 | -0.868213 | false | 0.318827 | -0.417962 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175976 | Li9Mn2Co5O16 | 4 | true | 0.177209 | 0.222351 | -0.68174 | false | 0.312784 | -0.416205 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175919 | Li9Mn2Co5O16 | 4 | true | 0.171141 | 0.220751 | -0.35362 | false | 0.286507 | -0.408479 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175920 | Li9Mn2Co5O16 | 4 | true | 0.177043 | 0.222307 | -0.868213 | false | 0.323582 | -0.419338 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175943 | Li9Mn2Co5O16 | 4 | true | 0.183813 | 0.224093 | -0.868213 | false | 0.329877 | -0.421154 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175955 | Li9Mn2Co5O16 | 4 | true | 0.160446 | 0.21793 | -0.416319 | false | 0.361221 | -0.430075 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175929 | Li9Mn2Co5O16 | 4 | true | 0.173946 | 0.22149 | -0.868213 | false | 0.335036 | -0.422636 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175978 | Li9Mn2Co5O16 | 4 | true | 0.164427 | 0.21898 | -0.598051 | false | 0.32362 | -0.419349 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175979 | Li9Mn2Co5O16 | 4 | true | 0.242159 | 0.23948 | 0.1129 | true | 0.265872 | -0.40231 | ['Co', 'Li', 'Mn', 'O'] |
mp-1176009 | Li9Mn2Co5O16 | 4 | true | 0.165173 | 0.219177 | -0.052582 | false | 0.278053 | -0.405963 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175987 | Li9Mn2Co5O16 | 4 | true | 0.165575 | 0.219283 | -0.597848 | false | 0.325906 | -0.42001 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175992 | Li9Mn2Co5O16 | 4 | true | 0.195487 | 0.227171 | -0.627031 | false | 0.297118 | -0.411617 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175985 | Li9Mn2Co5O16 | 4 | true | 0.350614 | 0.269221 | -0.868213 | false | 0.297338 | -0.411681 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175988 | Li9Mn2Co5O16 | 4 | true | 0.267183 | 0.246079 | -0.702595 | false | 0.313851 | -0.416516 | ['Co', 'Li', 'Mn', 'O'] |
mp-1176004 | Li9Mn2Co5O16 | 4 | true | 0.169731 | 0.220379 | -0.47421 | false | 0.313375 | -0.416377 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175994 | Li9Mn2Co5O16 | 4 | true | 0.175539 | 0.221911 | -0.527362 | false | 0.296644 | -0.411477 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175982 | Li9Mn2Co5O16 | 4 | true | 0.171247 | 0.220779 | -0.539279 | false | 0.291241 | -0.409882 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175989 | Li9Mn2Co5O16 | 4 | true | 0.194644 | 0.226949 | -0.868213 | false | 0.297829 | -0.411826 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175998 | Li9Mn2Co5O16 | 4 | true | 0.180048 | 0.2231 | -0.673412 | false | 0.278095 | -0.405975 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175999 | Li9Mn2Co5O16 | 4 | true | 0.188671 | 0.225374 | -0.796847 | false | 0.300564 | -0.41263 | ['Co', 'Li', 'Mn', 'O'] |
mp-1176002 | Li9Mn2Co5O16 | 4 | true | 0.179441 | 0.22294 | -0.586405 | false | 0.285045 | -0.408045 | ['Co', 'Li', 'Mn', 'O'] |
mp-1176012 | Li9Mn2Co5O16 | 4 | true | 0.192589 | 0.226407 | -0.825488 | false | 0.274042 | -0.404764 | ['Co', 'Li', 'Mn', 'O'] |
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