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-1212335 | K2LiTe2 | 3 | false | 2.034659 | 1.468463 | -0.868145 | false | -2.395637 | 8.38363 | ['K', 'Li', 'Te'] |
mp-1211300 | Li(HO)2 | 3 | false | 1.148118 | 0.762477 | -0.868213 | false | -1.935726 | -1.009004 | ['H', 'Li', 'O'] |
mp-1211991 | K2LiS2 | 3 | false | 2.016131 | 1.348092 | -0.868213 | false | -1.884671 | -0.471285 | ['K', 'Li', 'S'] |
mp-1222276 | LiHoSe2 | 3 | false | 0.107136 | -3.067458 | -0.767461 | false | 1.473911 | -0.972523 | ['Ho', 'Li', 'Se'] |
mp-1222275 | LiTlO2 | 3 | false | 0.616261 | 0.672974 | -0.868213 | false | 2.977516 | -1.095876 | ['Li', 'O', 'Tl'] |
mp-1222274 | LiSmS2 | 3 | false | -0.012334 | 0.454395 | -0.693251 | false | 0.313064 | -0.98644 | ['Li', 'S', 'Sm'] |
mp-1222273 | LiYSe2 | 3 | false | 0.098439 | -2.158127 | -0.740377 | false | 0.506339 | -0.968172 | ['Li', 'Se', 'Y'] |
mp-1222286 | LiErS2 | 3 | false | -0.055589 | 0.453931 | -0.634208 | false | 0.815689 | -1.008187 | ['Er', 'Li', 'S'] |
mp-1222301 | LiTiO2 | 3 | false | -1.073517 | -0.173364 | -0.868213 | false | 0.224703 | -1.136283 | ['Li', 'O', 'Ti'] |
mp-1222334 | LiCoO2 | 3 | true | 0.483776 | 0.292617 | -0.868213 | false | 0.633231 | -1.138229 | ['Co', 'Li', 'O'] |
mp-1222395 | LiAsSe2 | 3 | false | 1.56362 | -1.36507 | -0.729543 | false | 0.798339 | -1.005571 | ['As', 'Li', 'Se'] |
mp-1222281 | LiSmSe2 | 3 | false | 0.11794 | -2.836232 | -0.825691 | false | 1.031475 | -0.952532 | ['Li', 'Se', 'Sm'] |
mp-1222292 | LiErSe2 | 3 | false | 0.114416 | -3.141273 | -0.757372 | false | 1.554538 | -0.975955 | ['Er', 'Li', 'Se'] |
mp-1222312 | LiEuS2 | 3 | false | 0.294969 | 0.131444 | -0.868213 | false | 0.319174 | -0.985165 | ['Eu', 'Li', 'S'] |
mp-1222393 | LiVO2 | 3 | false | -0.413279 | -0.085444 | -0.868213 | false | 0.264922 | -1.134205 | ['Li', 'O', 'V'] |
mp-1222402 | LiGdSe2 | 3 | false | 0.129914 | -3.824224 | -0.868213 | false | 1.236243 | -0.962246 | ['Gd', 'Li', 'Se'] |
mp-1222282 | LiNdSe2 | 3 | false | 0.137146 | -2.808324 | -0.868213 | false | 0.849862 | -0.942933 | ['Li', 'Nd', 'Se'] |
mp-1222302 | LiFeO2 | 3 | true | 0.163659 | 0.11124 | -0.798269 | false | 0.403784 | -1.133759 | ['Fe', 'Li', 'O'] |
mp-1222306 | LiGaO2 | 3 | false | -0.189172 | 0.412929 | -0.868213 | false | 0.955556 | -1.137534 | ['Ga', 'Li', 'O'] |
mp-1222337 | LiGdS2 | 3 | false | -0.046031 | -0.233258 | -0.868213 | false | 0.522783 | -0.996561 | ['Gd', 'Li', 'S'] |
mp-1222294 | LiNdS2 | 3 | false | 0.015374 | 0.458108 | -0.689663 | false | 0.132747 | -0.97669 | ['Li', 'Nd', 'S'] |
mp-1222320 | LiInSe2 | 3 | false | 1.212714 | -2.028556 | -0.868213 | false | 1.012675 | -0.983384 | ['In', 'Li', 'Se'] |
mp-1222277 | LiSbSe2 | 3 | false | 1.425819 | -2.199229 | -0.64213 | false | 0.911808 | -0.969362 | ['Li', 'Sb', 'Se'] |
mp-1222287 | LiTbSe2 | 3 | false | 0.141627 | 0.594057 | -0.79529 | false | 1.307584 | -0.965995 | ['Li', 'Se', 'Tb'] |
mp-1222291 | LiSiAg2 | 3 | false | 2.139521 | 1.158568 | -0.868213 | false | 1.893264 | -1.055415 | ['Ag', 'Li', 'Si'] |
mp-1222309 | LiDySe2 | 3 | false | 0.1019 | -3.003589 | -0.772878 | false | 1.390818 | -0.968863 | ['Dy', 'Li', 'Se'] |
mp-1222313 | LiDyS2 | 3 | false | -0.048085 | 0.452236 | -0.662985 | false | 0.663941 | -1.002 | ['Dy', 'Li', 'S'] |
mp-1222394 | LiBiTe2 | 3 | false | 1.455128 | 1.045863 | -0.868145 | false | 1.774924 | -0.885353 | ['Bi', 'Li', 'Te'] |
mp-1222278 | LiIO | 3 | false | 1.733149 | 1.18527 | -0.868213 | false | 0.311752 | -1.067736 | ['I', 'Li', 'O'] |
mp-1222279 | LiHoS2 | 3 | false | -0.049617 | 0.453333 | -0.649443 | false | 0.737397 | -1.004942 | ['Ho', 'Li', 'S'] |
mp-1222285 | LiSbTe2 | 3 | false | 1.501594 | 1.040784 | -0.749112 | false | 1.209746 | -0.906977 | ['Li', 'Sb', 'Te'] |
mp-1222298 | LiPrS2 | 3 | false | 0.03647 | 0.461689 | -0.684991 | false | 0.036534 | -0.97101 | ['Li', 'Pr', 'S'] |
mp-1245584 | LiPdN | 3 | false | 2.095653 | -1.24293 | -0.868213 | false | 1.41783 | -1.134098 | ['Li', 'N', 'Pd'] |
mp-1245582 | LiPdN | 3 | false | 2.230868 | -1.20727 | -0.868213 | false | 1.392229 | -1.133415 | ['Li', 'N', 'Pd'] |
mp-2894145 | LiMg6Mo | 3 | false | 2.357285 | 1.343041 | -0.868213 | false | -0.79386 | -0.77298 | ['Li', 'Mg', 'Mo'] |
mp-756784 | LiSbS2 | 3 | false | 1.211191 | 0.81984 | -0.863338 | false | 0.136454 | -1.004318 | ['Li', 'S', 'Sb'] |
mp-675460 | LiTiCl3 | 3 | false | 0.397505 | -0.316753 | -0.868213 | false | -1.071286 | -0.878554 | ['Cl', 'Li', 'Ti'] |
mp-753506 | LiBiS2 | 3 | false | 1.159915 | 0.823651 | -0.58566 | false | 1.049426 | -0.985679 | ['Bi', 'Li', 'S'] |
mp-755552 | LiYS2 | 3 | false | -0.041808 | 0.316744 | -0.613151 | false | -0.341544 | -1.001378 | ['Li', 'S', 'Y'] |
mp-1091362 | Li(NdSi)2 | 3 | false | 1.547739 | 0.65312 | -0.868213 | false | 0.781608 | -0.552618 | ['Li', 'Nd', 'Si'] |
mp-569331 | Li(Sn3Pd)2 | 3 | false | 1.800931 | 0.842607 | -0.868213 | false | 2.805148 | -0.112854 | ['Li', 'Pd', 'Sn'] |
mp-7350 | Li(YSi)2 | 3 | false | 1.490353 | 0.435933 | -0.868213 | false | -0.018545 | -0.617487 | ['Li', 'Si', 'Y'] |
mp-975044 | Li(SiRh)2 | 3 | false | 1.37315 | 0.305768 | -0.868213 | false | 1.950017 | -0.851202 | ['Li', 'Rh', 'Si'] |
mp-754345 | LiTaO3 | 3 | false | -1.169211 | -0.430389 | 0.865696 | true | 1.970986 | -0.900325 | ['Li', 'O', 'Ta'] |
mp-1018786 | LiMnSb | 3 | true | 1.862592 | -2.107179 | -0.868213 | false | 0.542961 | -0.852099 | ['Li', 'Mn', 'Sb'] |
mp-1095149 | LiLaBi2 | 3 | false | 1.196114 | -8.963662 | -0.868213 | false | 2.957888 | -0.576458 | ['Bi', 'La', 'Li'] |
mp-1176614 | LiMnP | 3 | true | 1.48628 | 0.336231 | -0.868213 | false | 0.028418 | -1.003371 | ['Li', 'Mn', 'P'] |
mp-1205315 | LiBiO2 | 3 | false | 0.1923 | 0.451012 | -0.34888 | false | 2.489119 | -0.919898 | ['Bi', 'Li', 'O'] |
mp-1275975 | LiV3O4 | 3 | false | -0.331295 | -0.324048 | -0.776263 | false | 0.612006 | -0.778155 | ['Li', 'O', 'V'] |
mp-20049 | LiFeP | 3 | true | 1.454423 | 0.394757 | -0.868213 | false | 0.145992 | -1.011576 | ['Fe', 'Li', 'P'] |
mp-20698 | LiCoAs | 3 | true | 1.633633 | -0.963654 | -0.868213 | false | 1.203973 | -0.994857 | ['As', 'Co', 'Li'] |
mp-21471 | LiFeAs | 3 | true | 1.690152 | 0.529012 | -0.868213 | false | 0.936573 | -0.981727 | ['As', 'Fe', 'Li'] |
mp-21284 | LiMnAs | 3 | true | 1.840422 | 0.501716 | -0.868213 | false | 0.707195 | -0.965248 | ['As', 'Li', 'Mn'] |
mp-23364 | CsLiCl2 | 3 | false | -0.146699 | -1.386905 | 2.539546 | true | -0.449259 | -0.581686 | ['Cl', 'Cs', 'Li'] |
mp-23856 | LiHO | 3 | false | 0.214591 | 0.603812 | 1.844033 | true | -1.487759 | -1.087706 | ['H', 'Li', 'O'] |
mp-23057 | CsLiBr2 | 3 | false | 0.041002 | 1.107761 | 1.933274 | true | -0.014013 | -0.467588 | ['Br', 'Cs', 'Li'] |
mp-2468774 | LiCuS | 3 | false | 1.199157 | 0.87368 | -0.165861 | false | 0.15506 | -0.744196 | ['Cu', 'Li', 'S'] |
mp-504691 | LiMnP | 3 | true | 1.619381 | 0.371334 | -0.868213 | false | -0.049771 | -0.995907 | ['Li', 'Mn', 'P'] |
mp-4495 | KLiTe | 3 | false | 0.841374 | 1.162597 | 0.765892 | true | -0.370091 | -0.717306 | ['K', 'Li', 'Te'] |
mp-571587 | Na2LiN | 3 | false | 2.393279 | 1.231982 | -0.578822 | false | -1.053848 | -0.943072 | ['Li', 'N', 'Na'] |
mp-753848 | Li(CuO)3 | 3 | false | 0.947798 | 0.584586 | -0.868213 | false | 1.278061 | -0.822098 | ['Cu', 'Li', 'O'] |
mp-754516 | LiNiP | 3 | true | 1.446031 | -0.340184 | -0.868213 | false | 0.137618 | -1.003954 | ['Li', 'Ni', 'P'] |
mp-9250 | RbLiSe | 3 | false | 0.70027 | 1.105869 | 0.695135 | true | -0.117512 | -0.778404 | ['Li', 'Rb', 'Se'] |
mp-8751 | RbLiS | 3 | false | 0.69241 | 1.041661 | 0.990417 | true | -0.554768 | -0.8295 | ['Li', 'Rb', 'S'] |
mp-9562 | LiBeAs | 3 | false | 1.645406 | 0.974736 | -0.185903 | false | -0.165737 | -0.989335 | ['As', 'Be', 'Li'] |
mp-8756 | KLiSe | 3 | false | 0.671448 | 1.08368 | 0.841388 | true | -0.609256 | -0.816005 | ['K', 'Li', 'Se'] |
mp-8452 | NaLiS | 3 | false | 0.668081 | 1.000313 | 0.664869 | true | -1.187875 | -0.937088 | ['Li', 'Na', 'S'] |
mp-8430 | KLiS | 3 | false | 0.651777 | 1.016357 | 1.201739 | true | -1.165783 | -0.8651 | ['K', 'Li', 'S'] |
mp-9915 | LiBeP | 3 | false | 1.532446 | 0.872858 | -0.083797 | false | -1.171625 | -1.013033 | ['Be', 'Li', 'P'] |
mp-1176780 | LiCoS2 | 3 | true | 1.069832 | 0.564629 | -0.456877 | false | 0.013698 | -0.907516 | ['Co', 'Li', 'S'] |
mp-1176628 | LiMnF4 | 3 | true | -1.037663 | 0.359526 | 0.55308 | true | -0.083664 | -0.873429 | ['F', 'Li', 'Mn'] |
mp-1176637 | LiMnF4 | 3 | true | -0.995872 | 0.370547 | 1.068351 | true | -0.30807 | -0.434338 | ['F', 'Li', 'Mn'] |
mp-1190169 | Li(C3N2)2 | 3 | false | 2.294564 | -0.246762 | -0.642943 | false | -1.675827 | -0.198427 | ['C', 'Li', 'N'] |
mp-1190655 | LiBH4 | 3 | false | 2.546157 | 1.138202 | -0.231945 | false | -2.401115 | 1.350213 | ['B', 'H', 'Li'] |
mp-1190940 | LiC2N3 | 3 | false | 1.88254 | -0.159302 | 2.294911 | true | -1.539939 | -0.271827 | ['C', 'Li', 'N'] |
mp-1276026 | LiVO2 | 3 | false | -0.560273 | -0.12421 | -0.857041 | false | 0.146285 | -0.803795 | ['Li', 'O', 'V'] |
mp-1247150 | LiMn6N7 | 3 | true | 1.858897 | -0.359516 | -0.868213 | false | 0.822294 | 0.435954 | ['Li', 'Mn', 'N'] |
mp-1284576 | LiCr2O4 | 3 | false | -0.248374 | -0.226469 | -0.185429 | false | 0.103067 | -0.808477 | ['Cr', 'Li', 'O'] |
mp-2411702 | LiFeF4 | 3 | true | -0.923823 | 0.423012 | 1.697712 | true | -0.453546 | -0.804969 | ['F', 'Fe', 'Li'] |
mp-3941 | LiYF4 | 3 | false | -2.270734 | -0.762516 | 4.156114 | false | 0.22017 | -0.834177 | ['F', 'Li', 'Y'] |
mp-557189 | LiPO3 | 3 | false | -0.799005 | 0.04162 | 3.047301 | true | -0.935879 | 2.265655 | ['Li', 'O', 'P'] |
mp-554442 | LiAuF4 | 3 | false | -0.049677 | 0.904824 | 0.5392 | true | 1.188105 | -0.266669 | ['Au', 'F', 'Li'] |
mp-694894 | LiMn12O24 | 3 | true | 0.168874 | -0.225067 | -0.868213 | false | 0.224586 | 1.22669 | ['Li', 'Mn', 'O'] |
mp-752545 | LiMn2F7 | 3 | true | -0.902756 | 0.324908 | 0.458219 | true | -0.539143 | -0.424537 | ['F', 'Li', 'Mn'] |
mp-754337 | LiVF4 | 3 | false | -1.37618 | 0.274027 | 0.787085 | true | -0.165669 | -0.871608 | ['F', 'Li', 'V'] |
mp-754727 | LiNiS2 | 3 | true | 1.213116 | 0.70058 | -0.868213 | false | -0.048582 | -0.899772 | ['Li', 'Ni', 'S'] |
mp-755554 | LiFeF4 | 3 | true | -0.931866 | 0.420891 | 1.718228 | true | -0.059467 | -0.874656 | ['F', 'Fe', 'Li'] |
mp-776616 | LiV2F7 | 3 | false | -1.28344 | 0.229044 | 0.677463 | true | -0.672908 | -0.393196 | ['F', 'Li', 'V'] |
mp-776339 | LiFeF4 | 3 | true | -0.851667 | 0.442042 | 1.427821 | true | -0.34408 | -0.826871 | ['F', 'Fe', 'Li'] |
mp-777151 | LiFe2F7 | 3 | true | -0.777864 | 0.398002 | 1.592762 | true | -0.577089 | -0.402534 | ['F', 'Fe', 'Li'] |
mp-769019 | Li(BiO2)2 | 3 | false | 0.381005 | 0.417266 | -0.868213 | false | 2.755278 | -0.046426 | ['Bi', 'Li', 'O'] |
mp-1120719 | LiSiC2 | 3 | false | 2.280213 | 0.269271 | -0.868213 | false | -1.021271 | -0.983512 | ['C', 'Li', 'Si'] |
mp-1211444 | Li(ClO2)2 | 3 | false | 1.507134 | 0.883496 | -0.868213 | false | -1.782831 | 0.014941 | ['Cl', 'Li', 'O'] |
mp-29754 | SrLiN | 3 | false | 1.487413 | -0.647525 | -0.693928 | false | -0.289238 | -0.924354 | ['Li', 'N', 'Sr'] |
mp-781864 | LiCu2F5 | 3 | false | -0.091617 | 0.074357 | -0.393974 | false | -0.864262 | 2.335325 | ['Cu', 'F', 'Li'] |
mp-30959 | LiHS | 3 | false | 1.144093 | 0.92725 | 1.731905 | true | -1.563362 | -0.152301 | ['H', 'Li', 'S'] |
mp-1211639 | LiCa11Sb9 | 3 | false | 0.975142 | 0.9513 | -0.376844 | false | 0.259866 | 5.915543 | ['Ca', 'Li', 'Sb'] |
mp-559701 | LiV2F6 | 3 | false | -1.292135 | 0.180536 | -0.868213 | false | -0.044809 | -0.658022 | ['F', 'Li', 'V'] |
mp-541669 | LiFe2F6 | 3 | true | -0.821148 | 0.34433 | -0.309134 | false | 0.123001 | -0.671102 | ['F', 'Fe', 'Li'] |
mp-757118 | LiMn2F6 | 3 | true | -1.041335 | 0.241643 | -0.868213 | false | -0.133396 | -0.614803 | ['F', 'Li', 'Mn'] |
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