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-4527 | Li8SnO6 | 3 | false | -0.185975 | 0.542497 | 1.713827 | true | -0.201609 | -0.862448 | ['Li', 'O', 'Sn'] |
mp-754227 | Li8NbS6 | 3 | false | 0.62921 | 0.733613 | -0.868213 | false | -0.955091 | -0.534562 | ['Li', 'Nb', 'S'] |
mp-754266 | Li8TiS6 | 3 | false | 0.530606 | 0.750276 | -0.868213 | false | -1.133818 | -0.548188 | ['Li', 'S', 'Ti'] |
mp-752922 | Li8HfO6 | 3 | false | -0.59197 | 0.320379 | 2.801718 | true | 0.304207 | -0.861829 | ['Hf', 'Li', 'O'] |
mp-754586 | Li8BiO6 | 3 | false | 0.002938 | 0.594631 | -0.868213 | false | 0.177206 | -0.807625 | ['Bi', 'Li', 'O'] |
mp-755817 | Li8MnO6 | 3 | true | -0.115546 | 0.461407 | 0.342097 | true | -0.68051 | -0.875935 | ['Li', 'Mn', 'O'] |
mp-756239 | Li8CrO6 | 3 | false | -0.142949 | 0.444682 | -0.185429 | false | -0.718088 | -0.50906 | ['Cr', 'Li', 'O'] |
mp-756213 | Li8BiS6 | 3 | false | 0.795692 | 0.897664 | -0.868213 | false | -0.613738 | -0.464812 | ['Bi', 'Li', 'S'] |
mp-755225 | Li8ZrO6 | 3 | false | -0.53786 | 0.361913 | 2.380767 | true | -0.469298 | -0.856372 | ['Li', 'O', 'Zr'] |
mp-755616 | Li8WO6 | 3 | false | -0.157645 | 0.376875 | 1.150212 | true | 0.213676 | -0.843013 | ['Li', 'O', 'W'] |
mp-760690 | Li8TeO6 | 3 | false | 0.005026 | 0.609626 | 0.942953 | true | -0.36963 | -0.819613 | ['Li', 'O', 'Te'] |
mp-768171 | Li8SbS6 | 3 | false | 0.787343 | 0.89084 | -0.868213 | false | -0.919769 | -0.491958 | ['Li', 'S', 'Sb'] |
mp-8469 | Li8IrO6 | 3 | false | 0.053966 | 0.512371 | -0.868213 | false | 0.542137 | -0.876741 | ['Ir', 'Li', 'O'] |
mp-8425 | Li8TbO6 | 3 | false | -0.335052 | 0.491028 | -0.868213 | false | -0.196057 | -0.807574 | ['Li', 'O', 'Tb'] |
mp-8610 | Li8PtO6 | 3 | false | 0.066016 | 0.569077 | 0.59506 | true | 0.561456 | -0.876019 | ['Li', 'O', 'Pt'] |
mp-8611 | Li8CeO6 | 3 | false | -0.506578 | 0.420663 | 0.835497 | true | -0.253041 | -0.823444 | ['Ce', 'Li', 'O'] |
mp-8424 | Li8PrO6 | 3 | false | -0.263104 | 0.506954 | -0.868213 | false | -0.474271 | -0.777109 | ['Li', 'O', 'Pr'] |
mp-768139 | Li8Sb2S | 3 | false | 1.260059 | 1.141274 | 0.096108 | true | -0.830369 | 0.027362 | ['Li', 'S', 'Sb'] |
mp-775925 | Li8Sb7S19 | 3 | false | 1.286944 | 0.830186 | -0.868213 | false | -0.238473 | 3.048672 | ['Li', 'S', 'Sb'] |
mp-759713 | Li8Ti15O32 | 3 | false | -1.402689 | -0.371798 | -0.868213 | false | -0.147435 | 0.508076 | ['Li', 'O', 'Ti'] |
mp-569373 | Li8Zn2Ge3 | 3 | false | 1.78571 | 1.303077 | -0.868213 | false | -0.276389 | -0.076416 | ['Ge', 'Li', 'Zn'] |
mp-2209216 | Li8Zn2Ge3 | 3 | false | 1.732462 | 0.242922 | -0.868213 | false | -0.209275 | -0.110318 | ['Ge', 'Li', 'Zn'] |
mp-28549 | Li8SiO6 | 3 | false | -0.507264 | 0.430379 | 2.145476 | true | -0.997309 | -0.475879 | ['Li', 'O', 'Si'] |
mp-27920 | Li8CoO6 | 3 | true | 0.038155 | 0.541182 | -0.141011 | false | -0.81211 | -0.442436 | ['Co', 'Li', 'O'] |
mp-28548 | Li8GeO6 | 3 | false | -0.251687 | 0.513301 | 1.490385 | true | -0.697866 | -0.444071 | ['Ge', 'Li', 'O'] |
mp-753546 | Li8TiS6 | 3 | false | 0.493037 | 0.740367 | 0.679697 | true | -1.298226 | 0.329132 | ['Li', 'S', 'Ti'] |
mp-768400 | Li8FeS6 | 3 | true | 0.777348 | 0.804235 | -0.868213 | false | -1.262575 | 0.325373 | ['Fe', 'Li', 'S'] |
mp-766423 | Li8BiS6 | 3 | false | 0.806944 | 0.900632 | -0.857244 | false | -0.792754 | 0.469843 | ['Bi', 'Li', 'S'] |
mp-753974 | Li8CrS6 | 3 | false | 0.684309 | 0.756815 | -0.344953 | false | -1.284523 | 0.333229 | ['Cr', 'Li', 'S'] |
mp-768347 | Li8NbS6 | 3 | false | 0.641251 | 0.736788 | -0.868213 | false | -1.173359 | 0.398964 | ['Li', 'Nb', 'S'] |
mp-768987 | Li8BiO6 | 3 | false | 0.045146 | 0.605763 | -0.868213 | false | -0.049081 | -0.297897 | ['Bi', 'Li', 'O'] |
mp-770645 | Li8HfO6 | 3 | false | -0.525389 | 0.337938 | 1.772531 | true | -0.142735 | -0.343355 | ['Hf', 'Li', 'O'] |
mp-772521 | Li8TiO6 | 3 | false | -0.518928 | 0.379522 | 1.829814 | true | -0.934884 | -0.425482 | ['Li', 'O', 'Ti'] |
mp-777019 | Li8SbS6 | 3 | false | 0.791903 | 0.892043 | -0.821764 | false | -1.09964 | 0.444684 | ['Li', 'S', 'Sb'] |
mp-780493 | Li8CrO6 | 3 | false | -0.17782 | 0.435485 | 0.577117 | true | -0.870364 | -0.441311 | ['Cr', 'Li', 'O'] |
mp-771075 | Li8MnO6 | 3 | true | -0.06397 | 0.475009 | -0.350979 | false | -0.946279 | -0.390526 | ['Li', 'Mn', 'O'] |
mp-770648 | Li8ZrO6 | 3 | false | -0.478155 | 0.377659 | 1.85534 | true | -0.783409 | -0.335614 | ['Li', 'O', 'Zr'] |
mp-1315015 | Li8VO6 | 3 | false | -0.258049 | 0.425336 | 0.376697 | true | -0.745842 | -0.501421 | ['Li', 'O', 'V'] |
mp-1372137 | Li8(NiO2)5 | 3 | true | 3.132691 | 1.183508 | -0.868213 | false | 0.233718 | -0.642825 | ['Li', 'Ni', 'O'] |
mp-1641030 | Li8(CoO2)5 | 3 | true | 0.294242 | 0.349569 | -0.445095 | false | -0.291412 | 0.237902 | ['Co', 'Li', 'O'] |
mp-1646718 | Li8(CoO2)5 | 3 | true | 0.298277 | 0.350633 | -0.596359 | false | -0.2876 | 0.23537 | ['Co', 'Li', 'O'] |
mp-1640123 | Li8(CoO2)5 | 3 | true | 0.292628 | 0.349143 | -0.281441 | false | -0.293571 | 0.23934 | ['Co', 'Li', 'O'] |
mp-1643420 | Li8(FeO2)5 | 3 | true | 0.185089 | 0.236475 | -0.518831 | false | -0.41278 | 0.2761 | ['Fe', 'Li', 'O'] |
mp-1643829 | Li8(FeO2)5 | 3 | true | 0.18723 | 0.23704 | -0.77132 | false | -0.406628 | 0.271668 | ['Fe', 'Li', 'O'] |
mp-28030 | Li8Nb2O9 | 3 | false | -0.719356 | 0.12728 | 1.304319 | true | -0.148332 | 0.856385 | ['Li', 'Nb', 'O'] |
mp-752627 | Li8(CoO2)5 | 3 | true | 0.29396 | 0.349495 | -0.868213 | false | -0.299853 | 0.243542 | ['Co', 'Li', 'O'] |
mp-753255 | Li8(FeO2)5 | 3 | true | 0.169566 | 0.232381 | -0.868213 | false | -0.423127 | -0.477269 | ['Fe', 'Li', 'O'] |
mp-755081 | Li8(NiO2)5 | 3 | true | 0.410208 | 0.465512 | -0.856905 | false | 0.233717 | -0.642825 | ['Li', 'Ni', 'O'] |
mp-756255 | Li8VO6 | 3 | false | -0.258895 | 0.425113 | 0.323342 | true | -0.745987 | 0.235428 | ['Li', 'O', 'V'] |
mp-756356 | Li8FeO6 | 3 | true | 0.010537 | 0.508044 | -0.641589 | false | -0.718957 | -0.494911 | ['Fe', 'Li', 'O'] |
mp-768084 | Li8V11O22 | 3 | false | -0.536359 | -0.188245 | -0.309067 | false | 0.064285 | -0.031573 | ['Li', 'O', 'V'] |
mp-769036 | Li8Nb2S9 | 3 | false | 0.664398 | 0.603485 | -0.103229 | false | -0.795867 | 2.731021 | ['Li', 'Nb', 'S'] |
mp-770861 | Li8Cr2O9 | 3 | false | -0.123138 | 0.29821 | -0.396886 | false | -0.522047 | 0.721922 | ['Cr', 'Li', 'O'] |
mp-772619 | Li8Te2O9 | 3 | false | -0.082969 | 0.507623 | 0.717886 | true | 0.003626 | 1.084071 | ['Li', 'O', 'Te'] |
mp-772983 | Li8Fe2O9 | 3 | true | 0.143139 | 0.404567 | -0.868213 | false | -0.483473 | 0.733362 | ['Fe', 'Li', 'O'] |
mp-773132 | Li8Mn2O9 | 3 | true | -0.009564 | 0.34316 | -0.868213 | false | -0.512563 | 0.750429 | ['Li', 'Mn', 'O'] |
mp-774697 | Li8NbO6 | 3 | false | -0.315248 | 0.390571 | -0.868213 | false | -0.515519 | -0.844813 | ['Li', 'Nb', 'O'] |
mp-30134 | Li8Al3Si5 | 3 | false | 2.162348 | 1.136403 | -0.868213 | false | -1.255945 | -0.529293 | ['Al', 'Li', 'Si'] |
mp-1020032 | Li8N3O | 3 | false | 1.460987 | 0.830343 | -0.868213 | false | -1.373517 | -0.917376 | ['Li', 'N', 'O'] |
mp-1020029 | Li8PO3 | 3 | false | 0.583086 | 0.833434 | -0.868213 | false | -1.33904 | -0.869381 | ['Li', 'O', 'P'] |
mp-1020020 | Li8NO3 | 3 | false | 0.467234 | 0.73221 | -0.868213 | false | -1.260975 | -0.936056 | ['Li', 'N', 'O'] |
mp-1102163 | Li8AsO3 | 3 | false | 0.616694 | 0.86032 | -0.868213 | false | -1.010574 | -0.856128 | ['As', 'Li', 'O'] |
mp-1102716 | Li8SbO3 | 3 | false | 0.749719 | 0.908486 | -0.868213 | false | -0.785995 | -0.818715 | ['Li', 'O', 'Sb'] |
mp-1102865 | Li8BiO3 | 3 | false | 0.833239 | 0.93629 | -0.868213 | false | -0.187593 | -0.806301 | ['Bi', 'Li', 'O'] |
mp-766575 | Li8TiS6 | 3 | false | 0.55892 | 0.757743 | 0.958593 | true | -1.283008 | 1.857508 | ['Li', 'S', 'Ti'] |
mp-763305 | Li8FeO6 | 3 | true | 0.005529 | 0.506723 | -0.868213 | false | -0.948779 | -0.385439 | ['Fe', 'Li', 'O'] |
mp-1211196 | Li8CaSn7 | 3 | false | 1.793131 | 1.189376 | -0.868213 | false | 0.35589 | 0.836909 | ['Ca', 'Li', 'Sn'] |
mp-1211360 | Li8EuSn7 | 3 | false | 1.785102 | 1.037062 | -0.868213 | false | 0.692049 | 0.843258 | ['Eu', 'Li', 'Sn'] |
mp-1190840 | Li8Pr7Ge10 | 3 | false | 1.422612 | 0.810565 | -0.868213 | false | 1.2207 | 0.282778 | ['Ge', 'Li', 'Pr'] |
mp-1191394 | Li8Nd7Ge10 | 3 | false | 1.4155 | 0.810909 | -0.868213 | false | 1.393405 | 0.234657 | ['Ge', 'Li', 'Nd'] |
mp-1191493 | Li8Sm7Ge10 | 3 | false | 1.417233 | 0.815393 | -0.868213 | false | 1.562974 | 0.207066 | ['Ge', 'Li', 'Sm'] |
mp-1192957 | Li8Ce7Ge10 | 3 | false | 1.425307 | 0.718541 | -0.868213 | false | 1.38494 | 0.214065 | ['Ce', 'Ge', 'Li'] |
mp-1176858 | Li8(CoO2)5 | 3 | true | 0.371816 | 0.370028 | -0.868213 | false | -0.245979 | -0.514939 | ['Co', 'Li', 'O'] |
mp-764936 | Li8(FeO2)5 | 3 | true | 0.193828 | 0.23878 | -0.868213 | false | -0.380583 | -0.492478 | ['Fe', 'Li', 'O'] |
mp-1222505 | Li8PSe6 | 3 | false | 0.960809 | -0.412299 | -0.868213 | false | -0.451933 | -0.364448 | ['Li', 'P', 'Se'] |
mp-1176826 | Li8V3P8O29 | 4 | false | -0.815799 | -0.062682 | -0.321525 | false | -0.765434 | 2.1476 | ['Li', 'O', 'P', 'V'] |
mp-1176847 | Li8CoO5F | 4 | true | -0.133128 | 0.554699 | 0.288674 | true | -0.902411 | -0.385739 | ['Co', 'F', 'Li', 'O'] |
mp-1176846 | Li8Cr3SbO12 | 4 | false | -0.227922 | 0.176184 | -0.316515 | false | 0.171358 | -0.60949 | ['Cr', 'Li', 'O', 'Sb'] |
mp-1305320 | Li8CoO5F | 4 | true | -0.065856 | 0.57244 | -0.868213 | false | -0.735035 | -0.46616 | ['Co', 'F', 'Li', 'O'] |
mp-1305683 | Li8CoO5F | 4 | true | -0.090943 | 0.565824 | -0.14548 | false | -0.732882 | 0.303957 | ['Co', 'F', 'Li', 'O'] |
mp-1316403 | Li8CoO5F | 4 | true | -0.086866 | 0.566899 | -0.222331 | false | -0.729708 | -0.468471 | ['Co', 'F', 'Li', 'O'] |
mp-752889 | Li8VO5F | 4 | false | -0.330992 | 0.464788 | 0.579284 | true | -0.795806 | 0.300738 | ['F', 'Li', 'O', 'V'] |
mp-752780 | Li8FeCo3O8 | 4 | true | 0.28865 | 0.385737 | 0.488011 | true | -0.278614 | -0.639585 | ['Co', 'Fe', 'Li', 'O'] |
mp-753625 | Li8MnO5F | 4 | true | -0.25738 | 0.48269 | 0.484355 | true | -0.791408 | 0.326654 | ['F', 'Li', 'Mn', 'O'] |
mp-755400 | Li8FeO5F | 4 | true | -0.186681 | 0.514721 | 0.970578 | true | -0.787071 | -0.846244 | ['F', 'Fe', 'Li', 'O'] |
mp-757498 | Li8V3P8O29 | 4 | false | -0.799939 | -0.0585 | -0.853858 | false | -0.764701 | 2.146177 | ['Li', 'O', 'P', 'V'] |
mp-760066 | Li8NiO5F | 4 | true | -0.042027 | 0.604901 | -0.100182 | false | -0.711547 | -0.477103 | ['F', 'Li', 'Ni', 'O'] |
mp-760950 | Li8TiNi7O16 | 4 | true | 0.257321 | 0.311877 | -0.868213 | false | 0.562725 | -0.43375 | ['Li', 'Ni', 'O', 'Ti'] |
mp-761167 | Li8Co3NiO8 | 4 | true | 0.326685 | 0.434791 | 0.478667 | true | -0.198631 | -0.656351 | ['Co', 'Li', 'Ni', 'O'] |
mp-765119 | Li8Mn3CrO12 | 4 | true | -0.146152 | 0.148775 | -0.238987 | false | -0.009762 | -0.642151 | ['Cr', 'Li', 'Mn', 'O'] |
mp-766137 | Li8MnO5F | 4 | true | -0.214857 | 0.493905 | -0.364182 | false | -0.955194 | -0.37328 | ['F', 'Li', 'Mn', 'O'] |
mp-766919 | Li8MnCr3O12 | 4 | true | -0.180375 | 0.127877 | -0.298842 | false | -0.060038 | -0.637624 | ['Cr', 'Li', 'Mn', 'O'] |
mp-770529 | Li8Mn15CrO32 | 4 | true | -0.11564 | -0.153301 | -0.654792 | false | 0.17321 | 0.488375 | ['Cr', 'Li', 'Mn', 'O'] |
mp-771196 | Li8Mn12Ni4O31 | 4 | true | 0.047888 | -0.040328 | -0.221247 | false | 0.466911 | 0.320103 | ['Li', 'Mn', 'Ni', 'O'] |
mp-774459 | Li8Ti16CuS32 | 4 | false | 0.393238 | 0.226716 | -0.868213 | false | -0.371785 | 1.63025 | ['Cu', 'Li', 'S', 'Ti'] |
mp-777406 | Li8MgCo13O28 | 4 | true | 0.482893 | 0.225935 | -0.143449 | false | 0.348386 | 0.214548 | ['Co', 'Li', 'Mg', 'O'] |
mp-850211 | Li8CoO5F | 4 | true | -0.097498 | 0.564095 | -0.230591 | false | -0.769625 | 0.336531 | ['Co', 'F', 'Li', 'O'] |
mp-759442 | Li8Fe9CoO20 | 4 | true | 0.172635 | 0.07556 | -0.868213 | false | 0.275603 | -0.158636 | ['Co', 'Fe', 'Li', 'O'] |
mp-759370 | Li8Fe3Ni7O20 | 4 | true | 0.503527 | 0.29639 | -0.868213 | false | 0.474498 | -0.21248 | ['Fe', 'Li', 'Ni', 'O'] |
mp-765504 | Li8Fe3Co5O16 | 4 | true | 0.178835 | 0.175838 | -0.868213 | false | 0.576569 | -0.433741 | ['Co', 'Fe', 'Li', 'O'] |
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