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-762029 | LiAg2F4 | 3 | false | 0.240413 | -0.785448 | -0.868213 | false | 0.588754 | -0.000964 | ['Ag', 'F', 'Li'] |
mp-761914 | LiAgF4 | 3 | false | 0.137191 | -0.177879 | -0.201002 | false | 0.24154 | -0.793085 | ['Ag', 'F', 'Li'] |
mp-761168 | LiVF6 | 3 | false | -1.038836 | 0.449616 | 1.39268 | true | -1.166705 | 0.404813 | ['F', 'Li', 'V'] |
mp-765341 | LiCuF4 | 3 | false | -0.160482 | 0.251813 | -0.868213 | false | -0.009404 | -0.486189 | ['Cu', 'F', 'Li'] |
mp-765497 | LiVF4 | 3 | false | -1.382174 | 0.272446 | 0.546919 | true | -0.193389 | -0.496291 | ['F', 'Li', 'V'] |
mp-765191 | LiAgF4 | 3 | false | 0.178184 | -0.167068 | -0.868213 | false | 0.224595 | -0.342502 | ['Ag', 'F', 'Li'] |
mp-767304 | LiMn2F6 | 3 | true | -1.04596 | 0.240423 | -0.868213 | false | -0.165042 | -0.606387 | ['F', 'Li', 'Mn'] |
mp-767625 | LiVF4 | 3 | false | -1.309165 | 0.2917 | 0.691005 | true | -0.714692 | -0.280772 | ['F', 'Li', 'V'] |
mp-766954 | LiVF5 | 3 | false | -1.229197 | 0.362289 | 0.427953 | true | -0.712543 | -0.146218 | ['F', 'Li', 'V'] |
mp-767617 | LiVF4 | 3 | false | -1.286077 | 0.297789 | 0.733594 | true | -0.625724 | -0.325997 | ['F', 'Li', 'V'] |
mp-769205 | Li(NiS)2 | 3 | true | 1.26429 | 0.610279 | -0.868213 | false | 0.520307 | -0.439862 | ['Li', 'Ni', 'S'] |
mp-772085 | LiNb10O18 | 3 | false | -0.871399 | -0.611888 | -0.831311 | false | 1.197372 | 0.880657 | ['Li', 'Nb', 'O'] |
mp-772147 | LiNb7O12 | 3 | false | -0.797721 | -0.586508 | -0.868213 | false | 1.079103 | 1.799067 | ['Li', 'Nb', 'O'] |
mp-772212 | LiNb5O8 | 3 | false | -0.669461 | -0.544468 | -0.807139 | false | 0.913954 | 1.009119 | ['Li', 'Nb', 'O'] |
mp-776077 | LiFeF3 | 3 | true | -0.886124 | 0.369594 | 1.422946 | true | -0.407361 | 0.224505 | ['F', 'Fe', 'Li'] |
mp-776164 | LiFeF4 | 3 | true | -0.93122 | 0.421061 | 1.238573 | true | -0.120747 | -0.865329 | ['F', 'Fe', 'Li'] |
mp-776036 | LiV6O15 | 3 | false | -0.388933 | -0.286659 | -0.43609 | false | -0.285619 | 1.950922 | ['Li', 'O', 'V'] |
mp-776692 | LiFe2F7 | 3 | true | -0.841905 | 0.381112 | 1.261188 | true | -0.008572 | 0.053115 | ['F', 'Fe', 'Li'] |
mp-776726 | LiV2F7 | 3 | false | -1.222194 | 0.245196 | 0.308784 | true | -0.380608 | 0.219688 | ['F', 'Li', 'V'] |
mp-777453 | LiVF6 | 3 | false | -1.027539 | 0.452596 | 1.269178 | true | -0.660833 | -0.044865 | ['F', 'Li', 'V'] |
mp-777525 | LiFeF4 | 3 | true | -0.877105 | 0.435333 | 1.341492 | true | -0.529914 | -0.338361 | ['F', 'Fe', 'Li'] |
mp-777609 | LiMnF5 | 3 | true | -0.72502 | 0.492017 | 0.604878 | true | -0.646285 | -0.157526 | ['F', 'Li', 'Mn'] |
mp-777678 | LiFeF4 | 3 | true | -0.82421 | 0.449283 | 1.907273 | true | -0.825893 | -0.180141 | ['F', 'Fe', 'Li'] |
mp-777679 | LiFeF4 | 3 | true | -0.866375 | 0.438163 | 1.447119 | true | -0.490775 | -0.355809 | ['F', 'Fe', 'Li'] |
mp-777684 | LiFe2F5 | 3 | true | -0.750514 | 0.310138 | 1.076679 | true | -0.078971 | -0.110119 | ['F', 'Fe', 'Li'] |
mp-777898 | LiFeF4 | 3 | true | -0.831794 | 0.447283 | 1.55586 | true | -0.796398 | 0.841427 | ['F', 'Fe', 'Li'] |
mp-778513 | LiFeF4 | 3 | true | -0.869139 | 0.437434 | 1.839157 | true | -0.713714 | -0.246247 | ['F', 'Fe', 'Li'] |
mp-778715 | LiMn2F5 | 3 | true | -1.047334 | 0.181663 | 1.324226 | true | -0.181304 | 1.097091 | ['F', 'Li', 'Mn'] |
mp-779317 | LiMnF3 | 3 | true | -1.1068 | 0.271239 | 1.650315 | true | -0.538605 | 1.084242 | ['F', 'Li', 'Mn'] |
mp-7800 | LiSmO2 | 3 | false | -1.324765 | -0.009182 | 1.659727 | true | 1.945671 | -0.692859 | ['Li', 'O', 'Sm'] |
mp-849226 | LiFeF4 | 3 | true | -0.930914 | 0.421142 | 1.461879 | true | -0.085504 | -0.503352 | ['F', 'Fe', 'Li'] |
mp-8412 | LiCeO2 | 3 | false | -1.227163 | -0.071818 | -0.868213 | false | 1.429552 | -0.65478 | ['Ce', 'Li', 'O'] |
mp-849228 | LiFeF4 | 3 | true | -0.861074 | 0.439561 | 1.842949 | true | -1.03495 | -0.0301 | ['F', 'Fe', 'Li'] |
mp-849361 | LiVF5 | 3 | false | -1.16657 | 0.378805 | 0.30682 | true | -0.482475 | -0.270176 | ['F', 'Li', 'V'] |
mp-863372 | LiCu2F6 | 3 | false | -0.102597 | 0.130708 | -0.868213 | false | 0.286068 | -0.099508 | ['Cu', 'F', 'Li'] |
mp-996962 | LiAgO2 | 3 | false | 0.956888 | 0.728608 | -0.43609 | false | 1.13002 | -0.979312 | ['Ag', 'Li', 'O'] |
mp-1097043 | LiFeF3 | 3 | true | -0.735309 | 0.409368 | 1.026506 | true | -0.379685 | -0.877238 | ['F', 'Fe', 'Li'] |
mp-16648 | LiSn4Rh | 3 | false | 1.779702 | 0.7841 | -0.868213 | false | 2.654261 | -0.511602 | ['Li', 'Rh', 'Sn'] |
mp-21894 | LiSn4Ir | 3 | false | 1.83536 | 0.727493 | -0.868213 | false | 3.469068 | -0.514774 | ['Ir', 'Li', 'Sn'] |
mp-21297 | LiSn4Ru | 3 | false | 1.889697 | 0.72074 | -0.868213 | false | 2.688173 | -0.518609 | ['Li', 'Ru', 'Sn'] |
mp-753541 | LiCuF4 | 3 | false | -0.142352 | 0.256595 | -0.237701 | false | -0.080001 | -0.851242 | ['Cu', 'F', 'Li'] |
mp-752768 | LiAgF4 | 3 | false | 0.145084 | -0.175798 | -0.141214 | false | 0.306163 | -0.803301 | ['Ag', 'F', 'Li'] |
mp-1045389 | Li(VS2)2 | 3 | false | 0.836101 | 0.24095 | -0.868213 | false | -0.41241 | -0.512646 | ['Li', 'S', 'V'] |
mp-10971 | LiErO2 | 3 | false | -1.476751 | -0.038322 | 1.807605 | true | 2.163908 | -0.955034 | ['Er', 'Li', 'O'] |
mp-1173029 | LiPrS2 | 3 | false | -0.025167 | 0.445434 | 0.41976 | true | 0.037057 | -0.70398 | ['Li', 'Pr', 'S'] |
mp-1176622 | LiMnF4 | 3 | true | -0.977349 | 0.375432 | 0.73935 | true | -0.354843 | -0.827518 | ['F', 'Li', 'Mn'] |
mp-1211001 | LiHoF2 | 3 | false | -0.680682 | -1.6525 | -0.79942 | false | 1.058437 | -0.483264 | ['F', 'Ho', 'Li'] |
mp-1210953 | LiYbF2 | 3 | false | -0.606929 | -1.897667 | -0.868213 | false | 1.086974 | -0.460316 | ['F', 'Li', 'Yb'] |
mp-1211514 | LiEuF2 | 3 | false | -0.857668 | -2.108251 | -0.868213 | false | 0.635658 | -0.434688 | ['Eu', 'F', 'Li'] |
mp-1211287 | LiErF2 | 3 | false | -0.656095 | -1.721751 | -0.868213 | false | 1.05819 | -0.474835 | ['Er', 'F', 'Li'] |
mp-1211617 | LiEuF2 | 3 | false | -0.90154 | -2.119821 | -0.868213 | false | 0.658447 | -0.440468 | ['Eu', 'F', 'Li'] |
mp-1210965 | LiYF2 | 3 | false | -0.660436 | -0.735536 | -0.868213 | false | -0.441772 | -0.407362 | ['F', 'Li', 'Y'] |
mp-1210968 | LiTmF2 | 3 | false | -0.662268 | -1.810105 | -0.868213 | false | 1.207034 | -0.499624 | ['F', 'Li', 'Tm'] |
mp-1211041 | LiYF2 | 3 | false | -0.733964 | -0.754927 | -0.868213 | false | -0.174455 | -0.502486 | ['F', 'Li', 'Y'] |
mp-1211128 | LiScF2 | 3 | false | -0.585647 | -0.069137 | -0.83253 | false | -0.696037 | -0.601914 | ['F', 'Li', 'Sc'] |
mp-1211162 | LiDyF2 | 3 | false | -0.671659 | -1.584871 | -0.808019 | false | 0.93577 | -0.465437 | ['Dy', 'F', 'Li'] |
mp-1211007 | LiTbF2 | 3 | false | -0.680351 | -1.532371 | -0.761164 | false | 0.838015 | -0.456574 | ['F', 'Li', 'Tb'] |
mp-1211015 | LiLuF2 | 3 | false | -0.630543 | -2.016363 | -0.868213 | false | 1.336317 | -0.504322 | ['F', 'Li', 'Lu'] |
mp-1238786 | Li(CrS2)2 | 3 | false | 0.981234 | 0.232044 | -0.868213 | false | -0.378995 | -0.517673 | ['Cr', 'Li', 'S'] |
mp-1283531 | LiVO2 | 3 | false | -0.545935 | -0.120429 | -0.868213 | false | 0.168137 | -1.022745 | ['Li', 'O', 'V'] |
mp-18782 | LiFeO2 | 3 | true | 0.054183 | 0.082368 | -0.868213 | false | 0.319166 | -1.023123 | ['Fe', 'Li', 'O'] |
mp-33526 | LiBiS2 | 3 | false | 1.102033 | 0.808386 | -0.102078 | false | 1.108049 | -0.741392 | ['Bi', 'Li', 'S'] |
mp-33363 | LiYS2 | 3 | false | -0.118931 | 0.296405 | 0.530669 | true | -0.340819 | -0.764766 | ['Li', 'S', 'Y'] |
mp-33322 | LiHoSe2 | 3 | false | 0.029258 | -3.087997 | 0.277028 | true | 1.492217 | -0.709328 | ['Ho', 'Li', 'Se'] |
mp-31066 | LiUN2 | 3 | false | 0.533444 | -5.616775 | -0.868213 | false | 3.170814 | -0.929783 | ['Li', 'N', 'U'] |
mp-34489 | LiInSe2 | 3 | false | 1.135279 | -2.048978 | -0.587353 | false | 0.934722 | -0.717084 | ['In', 'Li', 'Se'] |
mp-35388 | LiSmSe2 | 3 | false | 0.050182 | -2.854102 | 0.203563 | true | 1.064727 | -0.67223 | ['Li', 'Se', 'Sm'] |
mp-34121 | LiSbS2 | 3 | false | 1.164429 | 0.807508 | -0.603807 | false | 0.114739 | -0.766617 | ['Li', 'S', 'Sb'] |
mp-34477 | LiSmS2 | 3 | false | -0.08175 | 0.436088 | 0.483001 | true | 0.320663 | -0.736083 | ['Li', 'S', 'Sm'] |
mp-35717 | LiDySe2 | 3 | false | 0.025479 | -3.023743 | 0.261793 | true | 1.409066 | -0.702085 | ['Dy', 'Li', 'Se'] |
mp-33667 | LiDyS2 | 3 | false | -0.126133 | 0.431652 | 0.538184 | true | 0.666687 | -0.76626 | ['Dy', 'Li', 'S'] |
mp-35591 | LiErS2 | 3 | false | -0.136681 | 0.432545 | 0.55457 | true | 0.818521 | -0.778616 | ['Er', 'Li', 'S'] |
mp-35205 | LiErSe2 | 3 | false | 0.035573 | -3.162066 | 0.296935 | true | 1.570813 | -0.715853 | ['Er', 'Li', 'Se'] |
mp-37680 | LiGdSe2 | 3 | false | 0.066577 | -3.840928 | -0.010196 | false | 1.208771 | -0.682266 | ['Gd', 'Li', 'Se'] |
mp-37480 | LiSbSe2 | 3 | false | 1.385807 | -2.209782 | -0.713361 | false | 0.959634 | -0.707986 | ['Li', 'Sb', 'Se'] |
mp-37605 | LiNdSe2 | 3 | false | 0.068711 | -2.826372 | 0.206542 | true | 0.877865 | -0.652598 | ['Li', 'Nd', 'Se'] |
mp-38695 | LiTbSe2 | 3 | false | 0.066805 | 0.574324 | 0.237621 | true | 1.328615 | -0.696824 | ['Li', 'Se', 'Tb'] |
mp-38280 | LiTiO2 | 3 | false | -1.106109 | -0.181959 | -0.868213 | false | 0.288123 | -1.039037 | ['Li', 'O', 'Ti'] |
mp-36791 | LiNdS2 | 3 | false | -0.048594 | 0.441237 | 0.442307 | true | 0.14213 | -0.717081 | ['Li', 'Nd', 'S'] |
mp-37620 | LiMnO2 | 3 | true | -0.188913 | -0.031938 | -0.868213 | false | 0.446322 | -1.034344 | ['Li', 'Mn', 'O'] |
mp-37879 | LiYSe2 | 3 | false | 0.022531 | -2.178146 | 0.256038 | true | 0.521557 | -0.700907 | ['Li', 'Se', 'Y'] |
mp-5488 | LiInO2 | 3 | false | -0.096142 | 0.45697 | 0.360243 | true | 1.408253 | -0.986314 | ['In', 'Li', 'O'] |
mp-556415 | LiMnO2 | 3 | true | -0.20239 | -0.035492 | -0.868213 | false | 0.327161 | -0.813413 | ['Li', 'Mn', 'O'] |
mp-5840 | LiScO2 | 3 | false | -1.507964 | -0.174563 | 1.775172 | true | -0.216174 | -1.003391 | ['Li', 'O', 'Sc'] |
mp-754237 | LiTmO2 | 3 | false | -1.512859 | -0.041663 | 2.130715 | true | 2.31549 | -0.961702 | ['Li', 'O', 'Tm'] |
mp-754204 | LiGdO2 | 3 | false | -1.319518 | -0.686565 | 1.266334 | true | 1.496138 | -0.923866 | ['Gd', 'Li', 'O'] |
mp-753751 | LiAgF2 | 3 | false | -0.082031 | -0.658598 | -0.383344 | false | 0.811767 | -0.942919 | ['Ag', 'F', 'Li'] |
mp-754605 | LiLuO2 | 3 | false | -1.553238 | -0.055154 | 2.258213 | true | 2.626322 | -0.970897 | ['Li', 'Lu', 'O'] |
mp-755146 | LiFeF4 | 3 | true | -0.831723 | 0.447302 | 1.307501 | true | -0.304478 | -0.834259 | ['F', 'Fe', 'Li'] |
mp-755253 | LiZrO2 | 3 | false | -1.074966 | -0.221055 | -0.868213 | false | 0.89534 | -0.992838 | ['Li', 'O', 'Zr'] |
mp-760408 | LiZnO2 | 3 | false | 0.366597 | 0.687772 | -0.868213 | false | 0.56747 | -1.020532 | ['Li', 'O', 'Zn'] |
mp-758426 | LiMn3O6 | 3 | true | 0.060696 | -0.15951 | -0.868213 | false | 0.518603 | -0.103345 | ['Li', 'Mn', 'O'] |
mp-762454 | LiCrO2 | 3 | false | -0.436538 | -0.132862 | 0.331738 | true | 0.274628 | -0.818959 | ['Cr', 'Li', 'O'] |
mp-770635 | LiNiO2 | 3 | true | 0.540361 | 0.405703 | -0.868213 | false | 0.838073 | -1.050998 | ['Li', 'Ni', 'O'] |
mp-8390 | LiYbO2 | 3 | false | -1.476689 | -2.539491 | -0.868213 | false | 2.516385 | -0.967511 | ['Li', 'O', 'Yb'] |
mp-8179 | LiTlO2 | 3 | false | 0.566499 | 0.659851 | -0.59602 | false | 2.892655 | -0.949133 | ['Li', 'O', 'Tl'] |
mp-772215 | LiNb8O10 | 3 | false | -0.456218 | -0.600364 | -0.868213 | false | 1.627717 | 0.173532 | ['Li', 'Nb', 'O'] |
mp-770641 | LiMn7O12 | 3 | true | 0.024434 | -0.274296 | -0.868213 | false | 0.523514 | 1.23088 | ['Li', 'Mn', 'O'] |
mp-773174 | LiCr4O12 | 3 | false | 0.398686 | -0.061087 | -0.842619 | false | -0.793406 | 1.805316 | ['Cr', 'Li', 'O'] |
mp-758779 | LiMnF3 | 3 | true | -1.14431 | 0.261346 | 1.764271 | true | -0.289078 | -0.20747 | ['F', 'Li', 'Mn'] |
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