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-1246665 | LiCr2N3 | 3 | false | 1.442702 | -0.316344 | -0.868213 | false | -0.000927 | -0.846882 | ['Cr', 'Li', 'N'] |
mp-557241 | LiV2O5 | 3 | false | 0.573648 | 0.064615 | -0.734893 | false | -0.314878 | -0.133889 | ['Li', 'O', 'V'] |
mp-5853 | LiSi2N3 | 3 | false | 0.715082 | -0.099349 | 2.526952 | true | -0.498886 | -0.902594 | ['Li', 'N', 'Si'] |
mp-753342 | LiCuF4 | 3 | false | -0.10618 | 0.266134 | -0.868213 | false | -0.251896 | -0.821778 | ['Cu', 'F', 'Li'] |
mp-753628 | LiVF6 | 3 | false | -1.070037 | 0.441388 | 1.229838 | true | -0.780974 | -0.600028 | ['F', 'Li', 'V'] |
mp-760093 | LiTi8O16 | 3 | false | -1.547799 | -0.543482 | -0.868213 | false | -0.017699 | 0.425155 | ['Li', 'O', 'Ti'] |
mp-771571 | Li(FeO2)2 | 3 | true | 0.358568 | 0.031671 | -0.868213 | false | 0.358106 | -0.420792 | ['Fe', 'Li', 'O'] |
mp-777522 | LiFeF3 | 3 | true | -0.905844 | 0.364393 | 1.479281 | true | -0.236934 | -0.899913 | ['F', 'Fe', 'Li'] |
mp-1017482 | LiHfMg6 | 3 | false | 2.330619 | 1.368232 | -0.868213 | false | -0.432718 | -0.214539 | ['Hf', 'Li', 'Mg'] |
mp-1017486 | LiHfMg6 | 3 | false | 2.341603 | 1.371129 | -0.868213 | false | -0.442208 | -0.209839 | ['Hf', 'Li', 'Mg'] |
mp-1021278 | LiMg6Ga | 3 | false | 2.139515 | 1.56914 | -0.868213 | false | -1.060923 | -0.252398 | ['Ga', 'Li', 'Mg'] |
mp-1021290 | RbLiMg6 | 3 | false | 2.433673 | 1.72098 | -0.868213 | false | -1.317537 | 0.044669 | ['Li', 'Mg', 'Rb'] |
mp-1021274 | LiMg6Cd | 3 | false | 2.141997 | 1.644801 | -0.868213 | false | -0.832654 | -0.223244 | ['Cd', 'Li', 'Mg'] |
mp-1021276 | LiMg6Cd | 3 | false | 2.141367 | 1.644635 | -0.868213 | false | -0.835733 | -0.221377 | ['Cd', 'Li', 'Mg'] |
mp-1021281 | NaLiMg6 | 3 | false | 2.235124 | 1.005106 | -0.868213 | false | -1.475195 | -0.147436 | ['Li', 'Mg', 'Na'] |
mp-1021282 | NaLiMg6 | 3 | false | 2.232037 | 1.004292 | -0.868213 | false | -1.473735 | -0.148974 | ['Li', 'Mg', 'Na'] |
mp-1021287 | LiMg6Si | 3 | false | 2.22414 | 1.504514 | -0.868213 | false | -1.298702 | -0.279464 | ['Li', 'Mg', 'Si'] |
mp-1021275 | LiMg6Cr | 3 | false | 2.349508 | 1.384244 | -0.868213 | false | -1.180049 | -0.249622 | ['Cr', 'Li', 'Mg'] |
mp-1021283 | LiMg6Si | 3 | false | 2.228481 | 1.505659 | -0.868213 | false | -1.300108 | -0.27835 | ['Li', 'Mg', 'Si'] |
mp-1021285 | LiMg6B | 3 | false | 2.53846 | 0.94793 | -0.868213 | false | -1.342097 | -0.33879 | ['B', 'Li', 'Mg'] |
mp-1021277 | LiMg6Sb | 3 | false | 2.061281 | 1.508579 | -0.868213 | false | -0.819112 | -0.195883 | ['Li', 'Mg', 'Sb'] |
mp-1021280 | LiMg6Bi | 3 | false | 2.120411 | 1.53284 | -0.868213 | false | -0.345755 | -0.165257 | ['Bi', 'Li', 'Mg'] |
mp-1021284 | LiMg6Nb | 3 | false | 2.39585 | 1.380208 | -0.868213 | false | -0.885972 | -0.267006 | ['Li', 'Mg', 'Nb'] |
mp-1021286 | SrLiMg6 | 3 | false | 2.230881 | 0.583945 | -0.868213 | false | -1.244554 | -0.018448 | ['Li', 'Mg', 'Sr'] |
mp-1021273 | LiMg6Bi | 3 | false | 2.120388 | 1.532834 | -0.868213 | false | -0.362713 | -0.15678 | ['Bi', 'Li', 'Mg'] |
mp-1021279 | LiMg6C | 3 | false | 2.761601 | 1.508316 | -0.868213 | false | -1.353085 | -0.323583 | ['C', 'Li', 'Mg'] |
mp-1021289 | CsLiMg6 | 3 | false | 2.484648 | 0.289535 | -0.868213 | false | -1.118427 | 0.079865 | ['Cs', 'Li', 'Mg'] |
mp-1021272 | LiMg6Sb | 3 | false | 2.063815 | 1.509248 | -0.868213 | false | -0.822486 | -0.193798 | ['Li', 'Mg', 'Sb'] |
mp-1021309 | KLiMg6 | 3 | false | 2.366821 | 0.950832 | -0.868213 | false | -1.497299 | -0.02146 | ['K', 'Li', 'Mg'] |
mp-1021291 | LiMg6Cr | 3 | false | 2.34729 | 1.383659 | -0.868213 | false | -1.169019 | -0.257758 | ['Cr', 'Li', 'Mg'] |
mp-1021293 | LiLaMg6 | 3 | false | 2.235399 | 1.52523 | -0.868213 | false | -0.915615 | -0.063727 | ['La', 'Li', 'Mg'] |
mp-1021308 | CsLiMg6 | 3 | false | 2.495136 | 0.292301 | -0.868213 | false | -1.111327 | 0.073169 | ['Cs', 'Li', 'Mg'] |
mp-1021305 | LiMg6Mo | 3 | false | 2.35595 | 1.342689 | -0.868213 | false | -0.798205 | -0.771798 | ['Li', 'Mg', 'Mo'] |
mp-1021315 | RbLiMg6 | 3 | false | 2.436167 | 1.721637 | -0.868213 | false | -1.320669 | 0.04805 | ['Li', 'Mg', 'Rb'] |
mp-1021317 | SrLiMg6 | 3 | false | 2.238311 | 0.585904 | -0.868213 | false | -1.239024 | -0.023758 | ['Li', 'Mg', 'Sr'] |
mp-1021353 | KLiMg6 | 3 | false | 2.36072 | 0.949223 | -0.868213 | false | -1.492518 | -0.027182 | ['K', 'Li', 'Mg'] |
mp-1021316 | LiMg6Nb | 3 | false | 2.405227 | 1.382681 | -0.868213 | false | -0.903208 | -0.256583 | ['Li', 'Mg', 'Nb'] |
mp-1021342 | LiMg6C | 3 | false | 2.475912 | 1.432972 | -0.868213 | false | -1.316856 | -0.794762 | ['C', 'Li', 'Mg'] |
mp-1021296 | LiLaMg6 | 3 | false | 2.22482 | 1.52244 | -0.868213 | false | -0.910212 | -0.067696 | ['La', 'Li', 'Mg'] |
mp-1021306 | LiMg6B | 3 | false | 2.522867 | 0.943818 | -0.868213 | false | -1.340459 | -0.34005 | ['B', 'Li', 'Mg'] |
mp-1021322 | LiMg6W | 3 | false | 2.444868 | -0.673342 | -0.868213 | false | -0.174286 | -0.313136 | ['Li', 'Mg', 'W'] |
mp-1021357 | BaLiMg6 | 3 | false | 2.278268 | 1.645959 | -0.868213 | false | -1.064675 | 0.050457 | ['Ba', 'Li', 'Mg'] |
mp-1021358 | LiMg6Ti | 3 | false | 2.321668 | 1.440646 | -0.868213 | false | -1.222085 | -0.237919 | ['Li', 'Mg', 'Ti'] |
mp-1021403 | LiMg6Sn | 3 | false | 2.113067 | 1.526568 | -0.868213 | false | -0.831031 | -0.200141 | ['Li', 'Mg', 'Sn'] |
mp-1021359 | LiMg6Ti | 3 | false | 2.31678 | 1.439357 | -0.868213 | false | -1.21681 | -0.242003 | ['Li', 'Mg', 'Ti'] |
mp-1021405 | LiMg6Mo | 3 | false | 2.366588 | 1.345495 | -0.868213 | false | -0.787927 | -0.311017 | ['Li', 'Mg', 'Mo'] |
mp-1021398 | LiMg6Sn | 3 | false | 2.115998 | 1.527341 | -0.868213 | false | -0.832054 | -0.199508 | ['Li', 'Mg', 'Sn'] |
mp-1021682 | LiMg6V | 3 | false | 2.372834 | 1.411038 | -0.868213 | false | -1.19058 | -0.246858 | ['Li', 'Mg', 'V'] |
mp-1021521 | LiCeMg6 | 3 | false | 2.251318 | 0.020102 | -0.868213 | false | -0.867211 | -0.665884 | ['Ce', 'Li', 'Mg'] |
mp-1021656 | LiCeMg6 | 3 | false | 2.262347 | 0.023011 | -0.868213 | false | -0.933835 | -0.641681 | ['Ce', 'Li', 'Mg'] |
mp-1021691 | LiMg6V | 3 | false | 2.375522 | 1.411747 | -0.868213 | false | -1.183849 | -0.745021 | ['Li', 'Mg', 'V'] |
mp-1022040 | LiMg6Co | 3 | true | 2.317152 | 0.676021 | -0.868213 | false | -1.018238 | -0.327057 | ['Co', 'Li', 'Mg'] |
mp-1021999 | LiMg6Ni | 3 | true | 2.222921 | 1.491324 | -0.868213 | false | -1.038327 | -0.315658 | ['Li', 'Mg', 'Ni'] |
mp-1022110 | LiMg6Cu | 3 | false | 2.201562 | 0.732125 | -0.868213 | false | -1.029067 | -0.300393 | ['Cu', 'Li', 'Mg'] |
mp-1022134 | LiMg6Cu | 3 | false | 2.198457 | 0.731307 | -0.868213 | false | -1.012522 | -0.31076 | ['Cu', 'Li', 'Mg'] |
mp-1022353 | LiMg6Fe | 3 | true | 2.355008 | 1.428601 | -0.868213 | false | -1.084421 | -0.29864 | ['Fe', 'Li', 'Mg'] |
mp-1022534 | LiMg6Zr | 3 | false | 2.282066 | 1.406547 | -0.868213 | false | -0.997084 | -0.20278 | ['Li', 'Mg', 'Zr'] |
mp-1022597 | LiMg6Zn | 3 | false | 2.169716 | 1.64124 | -0.868213 | false | -1.086162 | -0.254366 | ['Li', 'Mg', 'Zn'] |
mp-1022601 | LiMg6Zn | 3 | false | 2.169124 | 1.641084 | -0.868213 | false | -1.073166 | -0.263269 | ['Li', 'Mg', 'Zn'] |
mp-1022537 | LiMg6Zr | 3 | false | 2.293708 | 1.409617 | -0.868213 | false | -0.994972 | -0.204224 | ['Li', 'Mg', 'Zr'] |
mp-1022812 | LiYMg6 | 3 | false | 2.208893 | 1.461186 | -0.868213 | false | -1.118171 | -0.12334 | ['Li', 'Mg', 'Y'] |
mp-1022813 | LiYMg6 | 3 | false | 2.218033 | 1.463597 | -0.868213 | false | -1.120114 | -0.121781 | ['Li', 'Mg', 'Y'] |
mp-1022972 | LiMg6Mn | 3 | true | 2.304631 | 1.390218 | -0.868213 | false | -1.130791 | -0.271254 | ['Li', 'Mg', 'Mn'] |
mp-1022970 | LiMg6Mn | 3 | true | 2.30612 | 1.390611 | -0.868213 | false | -1.140429 | -0.264446 | ['Li', 'Mg', 'Mn'] |
mp-1023163 | LiCaMg6 | 3 | false | 2.20408 | 1.623252 | -0.868213 | false | -1.431928 | -0.089462 | ['Ca', 'Li', 'Mg'] |
mp-1023253 | LiCaMg6 | 3 | false | 2.210347 | 1.624904 | -0.868213 | false | -1.430744 | -0.090723 | ['Ca', 'Li', 'Mg'] |
mp-1023399 | LiMg6Al | 3 | false | 2.189425 | 1.556281 | -0.868213 | false | -1.349459 | -0.243611 | ['Al', 'Li', 'Mg'] |
mp-1023320 | LiMg6Al | 3 | false | 2.187922 | 1.555884 | -0.868213 | false | -1.347271 | -0.245485 | ['Al', 'Li', 'Mg'] |
mp-1026401 | KLiMg14 | 3 | false | 2.293626 | 0.932732 | -0.868213 | false | -1.412584 | -0.107938 | ['K', 'Li', 'Mg'] |
mp-1026641 | LiMg14Ti | 3 | false | 2.258696 | 1.542699 | -0.868213 | false | -1.272997 | -0.212809 | ['Li', 'Mg', 'Ti'] |
mp-1026793 | LiMg14Cr | 3 | false | 2.279003 | 1.516183 | -0.868213 | false | -1.259483 | -0.213296 | ['Cr', 'Li', 'Mg'] |
mp-1026796 | LiMg14Mo | 3 | false | 2.3223 | 1.505974 | -0.868213 | false | -1.079884 | -0.243444 | ['Li', 'Mg', 'Mo'] |
mp-1026787 | LiMg14Ga | 3 | false | 2.165268 | 1.606326 | -0.868213 | false | -1.205873 | -0.211818 | ['Ga', 'Li', 'Mg'] |
mp-1026802 | LiMg14C | 3 | false | 2.441282 | 1.566676 | -0.868213 | false | -1.331129 | -0.259859 | ['C', 'Li', 'Mg'] |
mp-1026803 | LiMg14Cd | 3 | false | 2.17591 | 1.646636 | -0.868213 | false | -1.100237 | -0.191569 | ['Cd', 'Li', 'Mg'] |
mp-1026806 | LiMg14B | 3 | false | 2.35494 | 0.924819 | -0.868213 | false | -1.339055 | -0.256521 | ['B', 'Li', 'Mg'] |
mp-1026840 | BaLiMg14 | 3 | false | 2.272497 | 1.654718 | -0.868213 | false | -1.166456 | -0.080419 | ['Ba', 'Li', 'Mg'] |
mp-1026841 | NaLiMg14 | 3 | false | 2.218801 | 0.957502 | -0.868213 | false | -1.403131 | -0.164323 | ['Li', 'Mg', 'Na'] |
mp-1026768 | LiMg14Bi | 3 | false | 2.159156 | 1.589083 | -0.868213 | false | -0.845496 | -0.165605 | ['Bi', 'Li', 'Mg'] |
mp-1026831 | SrLiMg14 | 3 | false | 2.225992 | 0.749377 | -0.868213 | false | -1.278933 | -0.104193 | ['Li', 'Mg', 'Sr'] |
mp-1026828 | CsLiMg14 | 3 | false | 2.367463 | 0.606019 | -0.868213 | false | -1.184328 | -0.075508 | ['Cs', 'Li', 'Mg'] |
mp-1026843 | LiMg14Si | 3 | false | 2.20925 | 1.574454 | -0.868213 | false | -1.314783 | -0.23007 | ['Li', 'Mg', 'Si'] |
mp-1026789 | LiMg14Sb | 3 | false | 2.132 | 1.577588 | -0.868213 | false | -1.083866 | -0.182547 | ['Li', 'Mg', 'Sb'] |
mp-1026771 | LiHfMg14 | 3 | false | 2.26021 | 1.505711 | -0.868213 | false | -0.889098 | -0.197117 | ['Hf', 'Li', 'Mg'] |
mp-1026797 | LiMg14W | 3 | false | 2.364485 | 0.129041 | -0.868213 | false | -0.793819 | -0.244937 | ['Li', 'Mg', 'W'] |
mp-1026817 | LiMg14Nb | 3 | false | 2.290898 | 1.511191 | -0.868213 | false | -1.118667 | -0.222699 | ['Li', 'Mg', 'Nb'] |
mp-1027758 | LiMg14Co | 3 | true | 2.263831 | 0.794018 | -0.868213 | false | -1.185596 | -0.253696 | ['Co', 'Li', 'Mg'] |
mp-1026860 | RbLiMg14 | 3 | false | 2.338895 | 1.689247 | -0.868213 | false | -1.298495 | -0.091573 | ['Li', 'Mg', 'Rb'] |
mp-1027832 | LiMg14Cu | 3 | false | 2.205407 | 0.821905 | -0.868213 | false | -1.185061 | -0.242917 | ['Cu', 'Li', 'Mg'] |
mp-1026861 | LiLaMg14 | 3 | false | 2.224284 | 1.587292 | -0.868213 | false | -1.122434 | -0.113521 | ['La', 'Li', 'Mg'] |
mp-1027971 | LiMg14Zn | 3 | false | 2.189601 | 1.644811 | -0.868213 | false | -1.209604 | -0.219522 | ['Li', 'Mg', 'Zn'] |
mp-1027939 | LiMg14Zr | 3 | false | 2.233706 | 1.524281 | -0.868213 | false | -1.171771 | -0.186412 | ['Li', 'Mg', 'Zr'] |
mp-1027926 | LiMg14Fe | 3 | true | 2.280956 | 1.538151 | -0.868213 | false | -1.205344 | -0.246383 | ['Fe', 'Li', 'Mg'] |
mp-1028052 | LiYMg14 | 3 | false | 2.205485 | 1.553807 | -0.868213 | false | -1.226292 | -0.14751 | ['Li', 'Mg', 'Y'] |
mp-1028123 | LiMg14Mn | 3 | true | 2.346654 | 1.542929 | -0.868213 | false | -1.202606 | -0.250689 | ['Li', 'Mg', 'Mn'] |
mp-1028194 | LiCaMg14 | 3 | false | 2.210091 | 1.636689 | -0.868213 | false | -1.373744 | -0.143834 | ['Ca', 'Li', 'Mg'] |
mp-1028223 | LiMg14Al | 3 | false | 2.191297 | 1.60018 | -0.868213 | false | -1.340824 | -0.210632 | ['Al', 'Li', 'Mg'] |
mp-1028268 | LiMg14Sn | 3 | false | 2.149235 | 1.584299 | -0.868213 | false | -1.085763 | -0.188014 | ['Li', 'Mg', 'Sn'] |
mp-1028320 | LiMg14V | 3 | false | 2.289195 | 1.529192 | -0.868213 | false | -1.254243 | -0.220272 | ['Li', 'Mg', 'V'] |
mp-1028360 | LiMg14Ni | 3 | true | 2.214246 | 1.569337 | -0.868213 | false | -1.177544 | -0.260226 | ['Li', 'Mg', 'Ni'] |
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