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-1176654 | LiMnF4 | 3 | true | -1.037898 | 0.359464 | 0.027721 | true | -0.267205 | -0.84357 | ['F', 'Li', 'Mn'] |
mp-1238778 | Li(CrS2)2 | 3 | false | 0.994289 | 0.235487 | -0.868213 | false | -0.4308 | 0.238721 | ['Cr', 'Li', 'S'] |
mp-18767 | LiMnO2 | 3 | true | -0.187718 | -0.031623 | -0.631229 | false | 0.319571 | -1.025211 | ['Li', 'Mn', 'O'] |
mp-18934 | LiV2O5 | 3 | false | -0.434127 | -0.201163 | -0.866926 | false | -0.378767 | -0.669461 | ['Li', 'O', 'V'] |
mp-36240 | LiMn8O16 | 3 | true | 0.141562 | -0.215543 | -0.868213 | false | 0.204534 | 0.42269 | ['Li', 'Mn', 'O'] |
mp-559908 | LiTa3O8 | 3 | false | -1.389833 | -0.691822 | 0.823106 | true | 2.797795 | 2.039641 | ['Li', 'O', 'Ta'] |
mp-767588 | LiMnF5 | 3 | true | -0.77346 | 0.479242 | -0.333036 | false | -0.612947 | -0.707337 | ['F', 'Li', 'Mn'] |
mp-755386 | Li(CoO2)2 | 3 | true | 0.545859 | 0.191868 | -0.868213 | false | 0.525907 | -0.439868 | ['Co', 'Li', 'O'] |
mp-754881 | LiMnO2 | 3 | true | -0.137761 | -0.018448 | -0.868213 | false | 0.308869 | -0.59691 | ['Li', 'Mn', 'O'] |
mp-757614 | LiFeO2 | 3 | true | 0.031935 | 0.076501 | 0.291315 | true | 0.408918 | -1.029737 | ['Fe', 'Li', 'O'] |
mp-755629 | LiVF4 | 3 | false | -1.3606 | 0.278135 | 0.551929 | true | -0.362157 | -0.838062 | ['F', 'Li', 'V'] |
mp-778314 | LiVF4 | 3 | false | -1.281115 | 0.299098 | -0.868213 | false | -0.778827 | 0.747578 | ['F', 'Li', 'V'] |
mp-1003549 | LiMn16O32 | 3 | true | 0.151187 | -0.238265 | -0.868213 | false | 0.165301 | 0.438728 | ['Li', 'Mn', 'O'] |
mp-1222756 | Li(TmGe2)2 | 3 | false | 1.559017 | 0.7327 | -0.868213 | false | 2.685183 | -0.845736 | ['Ge', 'Li', 'Tm'] |
mp-1236151 | LiTi4O6 | 3 | false | -1.156618 | -0.432745 | -0.868213 | false | 0.360193 | -0.908985 | ['Li', 'O', 'Ti'] |
mp-1235275 | LiTi4O6 | 3 | false | -1.170502 | -0.436407 | -0.868213 | false | 0.340586 | -0.90672 | ['Li', 'O', 'Ti'] |
mp-1235320 | LiV8O16 | 3 | false | -0.425559 | -0.357857 | -0.868213 | false | -0.213902 | -0.301026 | ['Li', 'O', 'V'] |
mp-1236025 | Li(FeO2)8 | 3 | true | 0.691188 | -0.006341 | -0.868213 | false | 0.047917 | -0.347764 | ['Fe', 'Li', 'O'] |
mp-29930 | Na5LiN2 | 3 | false | 2.313479 | 1.231508 | -0.868213 | false | -1.396601 | -0.805884 | ['Li', 'N', 'Na'] |
mp-685439 | LiNi3P2 | 3 | true | 1.465522 | -0.799039 | -0.868213 | false | 1.266485 | 1.675902 | ['Li', 'Ni', 'P'] |
mp-756858 | LiV3O8 | 3 | false | -0.378991 | -0.223363 | 0.381775 | true | -0.306652 | -0.399853 | ['Li', 'O', 'V'] |
mp-755827 | LiV3O8 | 3 | false | -0.370599 | -0.22115 | 0.42389 | true | -0.410373 | -0.358424 | ['Li', 'O', 'V'] |
mp-756035 | LiTi4O8 | 3 | false | -1.477992 | -0.481989 | -0.868213 | false | -0.014237 | -0.818438 | ['Li', 'O', 'Ti'] |
mp-774591 | LiV18O44 | 3 | false | -0.352743 | -0.318784 | -0.868213 | false | -0.263345 | 1.087246 | ['Li', 'O', 'V'] |
mp-851102 | LiTa3O8 | 3 | false | -1.380411 | -0.689338 | 0.76772 | true | 2.550771 | 2.199663 | ['Li', 'O', 'Ta'] |
mp-752460 | LiAgF4 | 3 | false | 0.121163 | -0.182107 | -0.297962 | false | 0.483937 | -0.420108 | ['Ag', 'F', 'Li'] |
mp-753273 | LiCuF4 | 3 | false | -0.154968 | 0.253267 | -0.868213 | false | -0.02188 | -0.482417 | ['Cu', 'F', 'Li'] |
mp-753969 | LiVF4 | 3 | false | -1.381073 | 0.272736 | 0.773678 | true | -0.175415 | -0.502005 | ['F', 'Li', 'V'] |
mp-766467 | LiCuS | 3 | false | 1.216262 | 0.878191 | 0.287049 | true | 0.073834 | 1.818772 | ['Cu', 'Li', 'S'] |
mp-755904 | LiVF4 | 3 | false | -1.318381 | 0.28927 | 0.746865 | true | -0.417634 | -0.416751 | ['F', 'Li', 'V'] |
mp-766480 | LiCuS | 3 | false | 1.25232 | 0.8877 | 0.299643 | true | -0.51192 | 2.715331 | ['Cu', 'Li', 'S'] |
mp-761183 | LiMnF4 | 3 | true | -1.053116 | 0.35545 | 0.465193 | true | -0.037632 | -0.522294 | ['F', 'Li', 'Mn'] |
mp-758122 | Li(CoO2)2 | 3 | true | 0.571444 | 0.198616 | -0.868213 | false | 0.659938 | -0.47363 | ['Co', 'Li', 'O'] |
mp-763199 | LiMnF4 | 3 | true | -1.018874 | 0.364481 | 0.631082 | true | -0.341475 | -0.421951 | ['F', 'Li', 'Mn'] |
mp-777298 | LiMnF3 | 3 | true | -1.125819 | 0.266223 | 1.568387 | true | -0.603792 | 0.363082 | ['F', 'Li', 'Mn'] |
mp-777566 | LiVF4 | 3 | false | -1.334136 | 0.285115 | 0.626478 | true | -0.275752 | -0.468933 | ['F', 'Li', 'V'] |
mp-777875 | LiFeF4 | 3 | true | -0.926884 | 0.422205 | 1.577189 | true | 0.010543 | -0.531362 | ['F', 'Fe', 'Li'] |
mp-776017 | LiFeF3 | 3 | true | -0.87536 | 0.372432 | 1.447931 | true | -0.518984 | 0.306542 | ['F', 'Fe', 'Li'] |
mp-777550 | LiFeF4 | 3 | true | -0.905062 | 0.42796 | 1.663925 | true | -0.310945 | -0.427992 | ['F', 'Fe', 'Li'] |
mp-777848 | LiMnF4 | 3 | true | -0.839207 | 0.411864 | -0.396412 | false | -0.287703 | -0.441708 | ['F', 'Li', 'Mn'] |
mp-778510 | LiFeF4 | 3 | true | -0.925155 | 0.422661 | 1.286647 | true | -0.096834 | -0.499901 | ['F', 'Fe', 'Li'] |
mp-778347 | LiFeF4 | 3 | true | -0.414035 | 0.557458 | 1.279537 | true | -0.262178 | -0.445576 | ['F', 'Fe', 'Li'] |
mp-780710 | LiMnF4 | 3 | true | -0.440846 | 0.516924 | 0.552606 | true | -0.306886 | -0.434771 | ['F', 'Li', 'Mn'] |
mp-8892 | LiInF4 | 3 | false | -1.056043 | -0.551697 | 1.850262 | true | 0.671889 | -0.440407 | ['F', 'In', 'Li'] |
mp-1178110 | Li(BiO2)2 | 3 | false | 0.344197 | 0.407559 | -0.868213 | false | 3.033612 | -0.106269 | ['Bi', 'Li', 'O'] |
mp-1197831 | LiBrO3 | 3 | false | 1.596027 | 0.892524 | -0.868213 | false | -0.577951 | 0.553878 | ['Br', 'Li', 'O'] |
mp-1211209 | LiBO4 | 3 | false | 0.725019 | 0.357557 | -0.868213 | false | -1.303439 | 0.502015 | ['B', 'Li', 'O'] |
mp-1245517 | LiReN2 | 3 | false | 1.761372 | -3.295892 | -0.868213 | false | 2.31711 | 1.114007 | ['Li', 'N', 'Re'] |
mp-1246322 | LiOsN2 | 3 | false | 2.136956 | -0.060201 | -0.795493 | false | 1.800477 | 1.443898 | ['Li', 'N', 'Os'] |
mp-1246641 | LiRuN2 | 3 | false | 2.059835 | 0.061122 | -0.868213 | false | 0.447732 | 1.123158 | ['Li', 'N', 'Ru'] |
mp-1246846 | LiSbN2 | 3 | false | 2.241355 | 0.482226 | -0.10201 | false | 0.029012 | 1.931128 | ['Li', 'N', 'Sb'] |
mp-1247356 | LiIrN2 | 3 | false | 2.264453 | 0.14671 | -0.868213 | false | 2.387765 | 1.143065 | ['Ir', 'Li', 'N'] |
mp-777567 | LiFeF4 | 3 | true | -0.827652 | 0.448375 | 2.00701 | true | -0.964199 | 1.067301 | ['F', 'Fe', 'Li'] |
mp-777352 | LiMnF3 | 3 | true | -1.136883 | 0.263305 | 1.677738 | true | -0.506659 | 1.808971 | ['F', 'Li', 'Mn'] |
mp-850511 | LiFeO2 | 3 | true | 0.120308 | 0.099807 | 0.420437 | true | -0.308203 | 0.972403 | ['Fe', 'Li', 'O'] |
mp-780803 | LiFeF3 | 3 | true | -0.887951 | 0.369112 | 1.440618 | true | -0.419436 | 1.704062 | ['F', 'Fe', 'Li'] |
mp-782665 | LiVF3 | 3 | false | -1.141375 | 0.266653 | 0.86705 | true | -0.542249 | 1.759811 | ['F', 'Li', 'V'] |
mp-1004373 | LiMnO2 | 3 | true | -0.185134 | -0.030942 | -0.133292 | false | 0.369642 | -0.819681 | ['Li', 'Mn', 'O'] |
mp-1020025 | LiB3O5 | 3 | false | -0.878322 | -0.198005 | 3.309879 | true | -0.619236 | 2.003975 | ['B', 'Li', 'O'] |
mp-1019724 | LiEuO2 | 3 | false | -0.847355 | -0.287272 | -0.868213 | false | 1.508593 | -0.628415 | ['Eu', 'Li', 'O'] |
mp-1029903 | LiNbN2 | 3 | false | 0.973866 | -1.496009 | -0.087656 | false | 0.452573 | -0.684158 | ['Li', 'N', 'Nb'] |
mp-1029251 | LiRuN | 3 | false | 1.769649 | 0.117413 | -0.868213 | false | 1.463211 | -0.84398 | ['Li', 'N', 'Ru'] |
mp-1095289 | LiCaAs | 3 | false | 0.811788 | -0.581152 | -0.141485 | false | -0.306826 | -0.527625 | ['As', 'Ca', 'Li'] |
mp-1095352 | LiEuAs | 3 | false | 1.037559 | 0.181067 | -0.868213 | false | 1.430078 | -0.476437 | ['As', 'Eu', 'Li'] |
mp-1095380 | LiEuBi | 3 | false | 1.29363 | 0.324047 | -0.868213 | false | 2.389724 | -0.27449 | ['Bi', 'Eu', 'Li'] |
mp-1095425 | LiEuSb | 3 | false | 1.064209 | 0.24043 | -0.868213 | false | 1.454054 | -0.329387 | ['Eu', 'Li', 'Sb'] |
mp-1098000 | LiEu3O4 | 3 | false | -1.166525 | -0.675346 | -0.868213 | false | 2.610558 | 0.082335 | ['Eu', 'Li', 'O'] |
mp-1101989 | SrLiAs | 3 | false | 0.851714 | -1.354734 | -0.169246 | false | 0.192649 | -0.433174 | ['As', 'Li', 'Sr'] |
mp-1105280 | LiTaO3 | 3 | false | -1.145218 | -0.424061 | 0.804825 | true | 2.367581 | -0.617448 | ['Li', 'O', 'Ta'] |
mp-1105326 | LiTaO3 | 3 | false | -0.986573 | -0.382222 | 1.482598 | true | 1.366395 | -0.457098 | ['Li', 'O', 'Ta'] |
mp-1106100 | LiEuGe2 | 3 | false | 1.541424 | 0.389857 | -0.868213 | false | 1.400258 | -0.239679 | ['Eu', 'Ge', 'Li'] |
mp-1106082 | LiCeSi2 | 3 | false | 1.568777 | 0.596299 | -0.868213 | false | 0.322463 | -0.317149 | ['Ce', 'Li', 'Si'] |
mp-1120793 | LiMnO3 | 3 | true | 0.31065 | 0.116857 | -0.868213 | false | 0.154096 | -0.708721 | ['Li', 'Mn', 'O'] |
mp-1176632 | LiMnF3 | 3 | true | -1.13108 | 0.264836 | -0.868213 | false | -0.256356 | -0.56101 | ['F', 'Li', 'Mn'] |
mp-1176613 | LiV2F9 | 3 | false | -1.148062 | 0.334069 | 0.325847 | true | -0.715643 | 0.763892 | ['F', 'Li', 'V'] |
mp-1176534 | LiVF4 | 3 | false | -1.288332 | 0.297195 | 0.4029 | true | -0.656787 | 0.616749 | ['F', 'Li', 'V'] |
mp-1176619 | LiMnF5 | 3 | true | -0.77536 | 0.478741 | -0.411308 | false | -0.632157 | -0.165659 | ['F', 'Li', 'Mn'] |
mp-1178393 | CsLiO | 3 | false | 0.452785 | 0.907181 | -0.868213 | false | 0.31209 | -0.529282 | ['Cs', 'Li', 'O'] |
mp-1188183 | LiSmGe2 | 3 | false | 1.451064 | 0.770022 | -0.868213 | false | 1.663121 | -0.307519 | ['Ge', 'Li', 'Sm'] |
mp-1188255 | LiLaGe2 | 3 | false | 1.40106 | 0.741064 | -0.868213 | false | 1.231628 | -0.239465 | ['Ge', 'La', 'Li'] |
mp-1188409 | LiH2N | 3 | false | 1.773668 | 0.770671 | -0.868213 | false | -1.492164 | -0.948385 | ['H', 'Li', 'N'] |
mp-1188849 | LiNdGe2 | 3 | false | 1.439803 | 0.763457 | -0.868213 | false | 1.485618 | -0.28582 | ['Ge', 'Li', 'Nd'] |
mp-1192133 | LiBH4 | 3 | false | 1.678187 | 0.909294 | 3.44523 | true | -2.047227 | -0.632943 | ['B', 'H', 'Li'] |
mp-1192048 | LiIN4 | 3 | false | 2.606724 | 0.447325 | -0.868213 | false | -0.903947 | 0.279761 | ['I', 'Li', 'N'] |
mp-1192061 | LiAlH4 | 3 | false | 1.956526 | 0.945451 | 1.79325 | true | -1.806597 | -0.544868 | ['Al', 'H', 'Li'] |
mp-1193147 | Li(RuO2)2 | 3 | false | 0.508469 | 0.004521 | -0.868213 | false | 1.697287 | -0.40508 | ['Li', 'O', 'Ru'] |
mp-11944 | LiYbGe2 | 3 | false | 1.468431 | -2.909291 | -0.868213 | false | 2.309383 | -0.371936 | ['Ge', 'Li', 'Yb'] |
mp-1195657 | LiSb2F7 | 3 | false | -0.895825 | 0.6188 | 2.329375 | true | 0.448503 | 0.425535 | ['F', 'Li', 'Sb'] |
mp-1195831 | Li(HoGe)4 | 3 | false | 1.266995 | 0.622305 | -0.868213 | false | 2.868658 | 1.045948 | ['Ge', 'Ho', 'Li'] |
mp-1196908 | Li(NdGe)4 | 3 | false | 1.285304 | 0.60515 | -0.830499 | false | 1.783927 | 1.375719 | ['Ge', 'Li', 'Nd'] |
mp-1197150 | Li(PrGe)4 | 3 | false | 1.305458 | 0.606942 | -0.830905 | false | 1.603293 | 1.448913 | ['Ge', 'Li', 'Pr'] |
mp-1197625 | Li(CeGe)4 | 3 | false | 1.433001 | 0.49338 | -0.868213 | false | 1.781291 | 1.327963 | ['Ce', 'Ge', 'Li'] |
mp-1210940 | Li(YGe)4 | 3 | false | 1.25052 | 0.371474 | -0.868213 | false | 1.058952 | 1.110766 | ['Ge', 'Li', 'Y'] |
mp-1211143 | LiEuP | 3 | false | 0.885484 | -3.054775 | -0.868213 | false | 0.939143 | -0.531537 | ['Eu', 'Li', 'P'] |
mp-1211088 | LiCaP | 3 | false | 0.86245 | -0.015983 | 0.078842 | true | -0.998143 | -0.575776 | ['Ca', 'Li', 'P'] |
mp-1211496 | Li(TmGe)4 | 3 | false | 1.286841 | 0.642391 | -0.868213 | false | 3.117811 | 0.981335 | ['Ge', 'Li', 'Tm'] |
mp-1211564 | Li(ErGe)4 | 3 | false | 1.26563 | 0.625808 | -0.868213 | false | 3.004885 | 1.011195 | ['Er', 'Ge', 'Li'] |
mp-1211602 | Li(LuGe)4 | 3 | false | 1.306886 | 0.642624 | -0.868213 | false | 3.408838 | 0.924513 | ['Ge', 'Li', 'Lu'] |
mp-1211905 | K3LiGe4 | 3 | false | 1.897241 | 1.176098 | -0.150287 | false | -0.553497 | 1.483645 | ['Ge', 'K', 'Li'] |
mp-1238803 | Li(CrS2)2 | 3 | false | 1.025158 | 0.243628 | -0.868213 | false | -0.235855 | 0.11207 | ['Cr', 'Li', 'S'] |
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