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-756747 | LiMnO2 | 3 | true | -0.16923 | -0.026747 | -0.868213 | false | 0.268791 | -0.587658 | ['Li', 'Mn', 'O'] |
mp-756129 | LiV2F9 | 3 | false | -1.146751 | 0.334414 | 0.428156 | true | -0.710718 | -0.23987 | ['F', 'Li', 'V'] |
mp-757915 | LiAgF3 | 3 | false | -0.019115 | -0.388263 | -0.639761 | false | 0.387738 | -0.857625 | ['Ag', 'F', 'Li'] |
mp-758901 | LiVO2 | 3 | false | -0.51897 | -0.113318 | -0.01128 | false | 0.11502 | -0.688738 | ['Li', 'O', 'V'] |
mp-759538 | LiMnF3 | 3 | true | -1.100829 | 0.272814 | 1.406628 | true | -0.512771 | 1.436244 | ['F', 'Li', 'Mn'] |
mp-759623 | LiMnF4 | 3 | true | -0.979818 | 0.374781 | 0.010997 | true | -0.751912 | 0.272113 | ['F', 'Li', 'Mn'] |
mp-759136 | LiMn5O10 | 3 | true | 0.154299 | -0.183174 | -0.500617 | false | 0.225941 | -0.202143 | ['Li', 'Mn', 'O'] |
mp-759048 | LiMnF3 | 3 | true | -1.104114 | 0.271947 | 1.333637 | true | -0.518532 | 2.210308 | ['F', 'Li', 'Mn'] |
mp-760005 | LiV6F13 | 3 | false | -1.050442 | 0.082383 | 0.471152 | true | -0.325561 | 0.406089 | ['F', 'Li', 'V'] |
mp-760273 | LiAg2F5 | 3 | false | 0.300052 | -0.584645 | -0.868213 | false | 0.423586 | 1.541834 | ['Ag', 'F', 'Li'] |
mp-759720 | LiCuO2 | 3 | false | 0.616258 | 0.547649 | -0.644703 | false | -0.030172 | -0.177109 | ['Cu', 'Li', 'O'] |
mp-760790 | LiCuF4 | 3 | false | -0.09141 | 0.270029 | -0.840316 | false | -0.527319 | 0.184564 | ['Cu', 'F', 'Li'] |
mp-764935 | Li(CoO2)2 | 3 | true | 0.592378 | 0.204137 | -0.868213 | false | 0.499072 | -0.835448 | ['Co', 'Li', 'O'] |
mp-765515 | LiCo15O16 | 3 | true | 1.306934 | 0.17811 | -0.868213 | false | 1.563492 | -0.33469 | ['Co', 'Li', 'O'] |
mp-765090 | LiMnF3 | 3 | true | -1.070286 | 0.280869 | 1.314814 | true | -0.339525 | 0.168043 | ['F', 'Li', 'Mn'] |
mp-767065 | LiMn3F10 | 3 | true | -0.889787 | 0.298244 | -0.449226 | false | -0.602362 | -0.02091 | ['F', 'Li', 'Mn'] |
mp-767706 | LiV2F7 | 3 | false | -1.28297 | 0.229168 | 0.555653 | true | -0.688165 | -0.386117 | ['F', 'Li', 'V'] |
mp-767769 | LiVF5 | 3 | false | -1.224815 | 0.363445 | 0.3769 | true | -0.808767 | -0.661287 | ['F', 'Li', 'V'] |
mp-771968 | LiCo8O9 | 3 | true | 0.75979 | 0.070657 | -0.868213 | false | 1.469423 | -0.736279 | ['Co', 'Li', 'O'] |
mp-772108 | LiTi11O20 | 3 | false | -1.538014 | -0.568929 | -0.868213 | false | 0.13322 | 0.834248 | ['Li', 'O', 'Ti'] |
mp-776037 | LiV4O10 | 3 | false | -0.416613 | -0.267982 | -0.868213 | false | -0.326497 | 2.031055 | ['Li', 'O', 'V'] |
mp-775888 | LiVF4 | 3 | false | -1.263016 | 0.303871 | -0.023196 | false | -0.839515 | 0.30528 | ['F', 'Li', 'V'] |
mp-776050 | LiFe2F9 | 3 | true | -0.307443 | 0.58545 | -0.071203 | false | -0.716375 | -0.201621 | ['F', 'Fe', 'Li'] |
mp-775766 | LiFe2F5 | 3 | true | -0.784373 | 0.301208 | 1.720395 | true | -0.26906 | -0.014395 | ['F', 'Fe', 'Li'] |
mp-774863 | LiNi9S10 | 3 | true | 1.51781 | 0.556292 | -0.868213 | false | 1.03029 | -0.462434 | ['Li', 'Ni', 'S'] |
mp-775760 | LiFeF3 | 3 | true | -0.837998 | 0.382286 | 1.295178 | true | -0.436177 | 0.615583 | ['F', 'Fe', 'Li'] |
mp-775737 | LiNi9O10 | 3 | true | 0.796219 | 0.248535 | -0.868213 | false | 1.680294 | -0.705813 | ['Li', 'Ni', 'O'] |
mp-776094 | LiFeF4 | 3 | true | -0.861602 | 0.439422 | 1.552881 | true | -0.152499 | -0.860306 | ['F', 'Fe', 'Li'] |
mp-774365 | LiMn2F5 | 3 | true | -1.098363 | 0.168205 | 1.383946 | true | -0.359878 | 0.026485 | ['F', 'Li', 'Mn'] |
mp-774399 | LiMnF3 | 3 | true | -1.092534 | 0.275001 | 1.568928 | true | -0.515605 | 0.674847 | ['F', 'Li', 'Mn'] |
mp-776524 | LiFeF3 | 3 | true | -0.84639 | 0.380073 | 0.908488 | true | -0.427894 | 1.346748 | ['F', 'Fe', 'Li'] |
mp-776604 | LiFeF3 | 3 | true | -0.856814 | 0.377324 | 0.637514 | true | -0.173249 | 0.73594 | ['F', 'Fe', 'Li'] |
mp-777700 | LiFeF4 | 3 | true | -0.866407 | 0.438154 | 1.011068 | true | -0.715464 | 0.251156 | ['F', 'Fe', 'Li'] |
mp-777920 | LiFeF4 | 3 | true | -0.840557 | 0.444972 | 1.923591 | true | -0.765699 | 0.29407 | ['F', 'Fe', 'Li'] |
mp-778800 | LiMnF3 | 3 | true | -1.096288 | 0.274011 | 1.654987 | true | -0.387949 | -0.159428 | ['F', 'Li', 'Mn'] |
mp-778044 | LiVF4 | 3 | false | -1.311079 | 0.291196 | 0.944104 | true | -0.282489 | -0.852377 | ['F', 'Li', 'V'] |
mp-778633 | LiMnF3 | 3 | true | -1.106495 | 0.271319 | 1.641784 | true | -0.533604 | -0.079894 | ['F', 'Li', 'Mn'] |
mp-779269 | LiMnF5 | 3 | true | -0.725503 | 0.49189 | 0.020205 | true | -0.547174 | 0.300901 | ['F', 'Li', 'Mn'] |
mp-787037 | LiMn2F5 | 3 | true | -0.57178 | 0.30708 | 0.436214 | true | -0.359879 | 0.026486 | ['F', 'Li', 'Mn'] |
mp-807001 | LiFe2F5 | 3 | true | -0.223396 | 0.449154 | 0.605081 | true | -0.26906 | -0.014395 | ['F', 'Fe', 'Li'] |
mp-850062 | LiNiO2 | 3 | true | 0.533682 | 0.403942 | -0.868213 | false | 0.757232 | -0.758692 | ['Li', 'Ni', 'O'] |
mp-849502 | LiVF3 | 3 | false | -1.096485 | 0.278492 | 0.049253 | true | -0.556243 | 2.158724 | ['F', 'Li', 'V'] |
mp-867664 | LiCoO2 | 3 | true | 0.345245 | 0.256083 | -0.868213 | false | 0.733115 | -0.753939 | ['Co', 'Li', 'O'] |
mp-881629 | LiCuF4 | 3 | false | 0.533043 | 0.434715 | -0.868213 | false | -0.527319 | 0.184564 | ['Cu', 'F', 'Li'] |
mp-886625 | LiNiO2 | 3 | true | 3.646027 | 1.224756 | -0.868213 | false | 0.635669 | -0.740159 | ['Li', 'Ni', 'O'] |
mp-1176698 | LiFeF3 | 3 | true | -0.891543 | 0.368164 | 1.650722 | true | -0.067544 | -0.923379 | ['F', 'Fe', 'Li'] |
mp-1189357 | Cs3LiBr4 | 3 | false | 0.024721 | 1.13977 | 1.863872 | true | -0.18586 | 0.764845 | ['Br', 'Cs', 'Li'] |
mp-1211296 | Li(BH)6 | 3 | false | 1.782481 | 0.617113 | 2.853177 | true | -1.844669 | -0.486352 | ['B', 'H', 'Li'] |
mp-1236149 | LiTa4O12 | 3 | false | -0.963365 | -0.57144 | -0.868213 | false | 1.619081 | -0.521087 | ['Li', 'O', 'Ta'] |
mp-755432 | LiMn7O12 | 3 | true | 0.036208 | -0.271191 | -0.868213 | false | 0.648334 | -0.645293 | ['Li', 'Mn', 'O'] |
mp-1198726 | Li(BH)6 | 3 | false | 1.729739 | 0.603203 | 2.932059 | true | -1.737423 | 1.351115 | ['B', 'H', 'Li'] |
mp-3949 | K7LiSi8 | 3 | false | 2.107241 | 1.12919 | 0.298628 | true | -1.359889 | 4.404206 | ['K', 'Li', 'Si'] |
mp-859118 | LiAgF6 | 3 | false | 0.699746 | 0.181934 | -0.354026 | false | 0.252257 | -0.1749 | ['Ag', 'F', 'Li'] |
mp-21735 | LiFe5O8 | 3 | true | 0.288223 | -0.122859 | 0.058394 | true | 0.495338 | 0.530772 | ['Fe', 'Li', 'O'] |
mp-774941 | Li(NiO2)2 | 3 | true | 0.833461 | 0.379903 | -0.27941 | false | 0.622377 | 0.305299 | ['Li', 'Ni', 'O'] |
mp-28146 | LiGa5O8 | 3 | false | -0.373195 | 0.266621 | 1.079523 | true | 1.353144 | 0.368442 | ['Ga', 'Li', 'O'] |
mp-770866 | LiMn5O8 | 3 | true | -0.051931 | -0.284274 | -0.868213 | false | 0.598468 | 0.453342 | ['Li', 'Mn', 'O'] |
mp-759353 | LiCo5O8 | 3 | true | 0.67847 | 0.118565 | -0.868213 | false | 1.061214 | 0.305905 | ['Co', 'Li', 'O'] |
mp-530399 | LiAl5O8 | 3 | false | -1.514547 | -0.108734 | 2.867261 | true | -0.077833 | 0.186087 | ['Al', 'Li', 'O'] |
mp-773076 | Li(CoO2)2 | 3 | true | 0.533298 | 0.188556 | -0.868213 | false | 0.697049 | 0.273191 | ['Co', 'Li', 'O'] |
mp-1095638 | LiMgIr | 3 | false | 2.435349 | 0.983893 | -0.868213 | false | 1.938734 | -0.593446 | ['Ir', 'Li', 'Mg'] |
mp-1009006 | LiCdAs | 3 | false | 1.947597 | 1.323245 | -0.868213 | false | 1.234408 | -1.071663 | ['As', 'Cd', 'Li'] |
mp-1009014 | LiCuO | 3 | false | 1.036524 | 0.752488 | -0.868213 | false | 0.690067 | -1.151422 | ['Cu', 'Li', 'O'] |
mp-1008911 | LiMnAs | 3 | true | 1.855919 | 0.505803 | -0.868213 | false | 0.281156 | -1.080865 | ['As', 'Li', 'Mn'] |
mp-10178 | LiMgP | 3 | false | 1.730747 | 1.129124 | -0.868213 | false | -1.074297 | -1.099033 | ['Li', 'Mg', 'P'] |
mp-10182 | LiZnP | 3 | false | 1.450191 | -0.042061 | 0.038149 | true | -0.032341 | -1.104318 | ['Li', 'P', 'Zn'] |
mp-1018135 | LiCdAs | 3 | false | 1.665581 | 1.248869 | -0.868213 | false | 0.977925 | -1.059418 | ['As', 'Cd', 'Li'] |
mp-10687 | LiCdP | 3 | false | 1.946486 | -0.993849 | -0.868213 | false | 0.646172 | -1.085309 | ['Cd', 'Li', 'P'] |
mp-1100392 | LiSiB | 3 | false | 2.019056 | 0.715897 | -0.675037 | false | -0.890436 | -1.147303 | ['B', 'Li', 'Si'] |
mp-1100393 | LiAgSe | 3 | false | 1.491914 | -1.748225 | -0.723314 | false | 1.328429 | -1.076164 | ['Ag', 'Li', 'Se'] |
mp-1100409 | LiCaSb | 3 | false | 1.244335 | 1.088985 | -0.201882 | false | -0.015885 | -1.020979 | ['Ca', 'Li', 'Sb'] |
mp-1100396 | LiSnB | 3 | false | 2.277282 | 0.920923 | -0.587218 | false | 0.990879 | -1.113069 | ['B', 'Li', 'Sn'] |
mp-1100398 | LiBeSb | 3 | false | 1.81309 | 1.071294 | -0.184007 | false | 0.463011 | -1.089503 | ['Be', 'Li', 'Sb'] |
mp-1100438 | LiScSn | 3 | false | 2.09333 | 0.905963 | -0.622698 | false | -0.047729 | -1.015787 | ['Li', 'Sc', 'Sn'] |
mp-1100426 | SrLiSb | 3 | false | 1.695986 | 1.238387 | -0.214002 | false | -0.236662 | -0.932764 | ['Li', 'Sb', 'Sr'] |
mp-1100436 | LiInSi | 3 | false | 2.35907 | 1.184715 | -0.868213 | false | 0.413603 | -1.073675 | ['In', 'Li', 'Si'] |
mp-1100425 | LiCdSb | 3 | false | 1.874546 | 1.356314 | -0.868213 | false | 1.443386 | -1.042449 | ['Cd', 'Li', 'Sb'] |
mp-1100428 | LiYSi | 3 | false | 2.278295 | 0.800736 | -0.599473 | false | -0.644888 | -1.024879 | ['Li', 'Si', 'Y'] |
mp-1100430 | LiZnSb | 3 | false | 1.680498 | -1.596888 | -0.86801 | false | 0.865028 | -1.053593 | ['Li', 'Sb', 'Zn'] |
mp-11390 | LiGaSi | 3 | false | 2.02259 | 1.069967 | -0.74058 | false | -0.229516 | -1.090735 | ['Ga', 'Li', 'Si'] |
mp-1100424 | LiMgSb | 3 | false | 1.692693 | 1.24351 | -0.101198 | false | -0.206361 | -1.024989 | ['Li', 'Mg', 'Sb'] |
mp-11830 | LiCeSn | 3 | false | 1.773928 | 0.85998 | -0.868213 | false | 1.344686 | -1.016913 | ['Ce', 'Li', 'Sn'] |
mp-1206695 | LiVBi | 3 | false | 2.467783 | -5.062037 | -0.868213 | false | 2.290388 | -1.059773 | ['Bi', 'Li', 'V'] |
mp-1207082 | LiMgSb | 3 | false | 1.493766 | 1.191048 | 0.109379 | true | -0.17174 | -1.028147 | ['Li', 'Mg', 'Sb'] |
mp-1207173 | LiVSb | 3 | false | 2.21813 | -1.955988 | -0.868213 | false | 0.517461 | -1.047734 | ['Li', 'Sb', 'V'] |
mp-1211042 | LiSiAg2 | 3 | false | 2.196364 | 1.173559 | -0.868213 | false | 1.777705 | -1.050489 | ['Ag', 'Li', 'Si'] |
mp-1222386 | LiBH4 | 3 | false | 1.751594 | 0.928654 | -0.868145 | false | -1.98984 | -1.103569 | ['B', 'H', 'Li'] |
mp-1222290 | LiMgIn2 | 3 | false | 2.085933 | 1.431854 | -0.868213 | false | 0.752261 | -0.981531 | ['In', 'Li', 'Mg'] |
mp-1222280 | LiInSn | 3 | false | 1.941505 | 1.211516 | -0.868213 | false | 1.016872 | -1.019362 | ['In', 'Li', 'Sn'] |
mp-12718 | LiPrSn | 3 | false | 1.62434 | 0.930929 | -0.868213 | false | 1.282728 | -1.012628 | ['Li', 'Pr', 'Sn'] |
mp-12719 | LiNdSn | 3 | false | 1.623877 | 0.933449 | -0.868213 | false | 1.404822 | -1.01693 | ['Li', 'Nd', 'Sn'] |
mp-12564 | LiSbAu | 3 | false | 1.815324 | -5.591902 | -0.868213 | false | 2.891329 | -1.04469 | ['Au', 'Li', 'Sb'] |
mp-12558 | LiMgAs | 3 | false | 1.1817 | -0.206119 | 0.060967 | true | -0.489035 | -1.069545 | ['As', 'Li', 'Mg'] |
mp-16343 | LiInGe | 3 | false | 1.924608 | 1.147729 | -0.868213 | false | 0.921625 | -1.056367 | ['Ge', 'In', 'Li'] |
mp-3161 | LiAlSi | 3 | false | 1.961278 | 0.984405 | -0.79231 | false | -1.174153 | -1.089136 | ['Al', 'Li', 'Si'] |
mp-35530 | LiMn4O8 | 3 | true | 0.071768 | -0.186343 | -0.868213 | false | 0.506747 | 0.271027 | ['Li', 'Mn', 'O'] |
mp-36111 | LiMgP | 3 | false | 1.345148 | 1.027431 | 0.290502 | true | -1.215822 | -1.08381 | ['Li', 'Mg', 'P'] |
mp-37906 | LiMgN | 3 | false | 1.278594 | 0.358991 | 0.788101 | true | -0.859886 | -1.150124 | ['Li', 'Mg', 'N'] |
mp-568466 | LiInSn | 3 | false | 1.973979 | 1.220081 | -0.868213 | false | 0.911559 | -1.012626 | ['In', 'Li', 'Sn'] |
mp-570213 | LiMgBi | 3 | false | 1.735175 | 1.277826 | -0.625338 | false | 0.911423 | -1.012844 | ['Bi', 'Li', 'Mg'] |
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