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-1235351 | LiCo6(OF5)2 | 4 | true | -0.018533 | 0.40773 | -0.803821 | false | 0.453565 | -0.607377 | ['Co', 'F', 'Li', 'O'] |
mp-1235391 | LiSm4Tm4O12 | 4 | false | -1.825393 | -0.297902 | -0.868213 | false | 3.078753 | -0.390693 | ['Li', 'O', 'Sm', 'Tm'] |
mp-1235218 | LiCr4In4O12 | 4 | false | -0.011152 | 0.003097 | -0.868213 | false | 1.576002 | -0.557923 | ['Cr', 'In', 'Li', 'O'] |
mp-1235197 | LiFe8(O7F)2 | 4 | true | 0.494303 | 0.012162 | -0.868213 | false | 0.488723 | -0.472269 | ['F', 'Fe', 'Li', 'O'] |
mp-1235215 | LiTl4(NiO3)4 | 4 | true | 1.112862 | 0.535 | -0.868213 | false | 3.331764 | -0.550912 | ['Li', 'Ni', 'O', 'Tl'] |
mp-1235350 | Rb4Li(Se2O7)2 | 4 | false | 0.438876 | 0.530667 | -0.449293 | false | -0.349754 | 0.082073 | ['Li', 'O', 'Rb', 'Se'] |
mp-1235365 | LiMn6(OF2)4 | 4 | true | -0.555084 | -0.012313 | -0.600692 | false | 0.006333 | -0.533449 | ['F', 'Li', 'Mn', 'O'] |
mp-1235406 | LiCu6OF11 | 4 | false | 0.225914 | 0.796542 | -0.84702 | false | 0.457824 | -0.575113 | ['Cu', 'F', 'Li', 'O'] |
mp-1235308 | Sr2Li(H4O3)2 | 4 | false | 0.363014 | 0.573868 | -0.868213 | false | -0.772749 | -0.709296 | ['H', 'Li', 'O', 'Sr'] |
mp-1235326 | LiMn9CdO10 | 4 | true | 0.278186 | -0.250443 | -0.868213 | false | 0.924507 | -0.515189 | ['Cd', 'Li', 'Mn', 'O'] |
mp-1235344 | LiCu6OF11 | 4 | false | 0.232814 | 0.798362 | -0.868213 | false | 0.510301 | -0.586636 | ['Cu', 'F', 'Li', 'O'] |
mp-1235375 | Ba2Li(CO3)2 | 4 | false | -0.371348 | 0.019308 | -0.527498 | false | 0.133914 | -0.750677 | ['Ba', 'C', 'Li', 'O'] |
mp-1235384 | LiDy2Nb2O8 | 4 | false | -1.406539 | -0.415324 | -0.577197 | false | 1.409477 | -0.709487 | ['Dy', 'Li', 'Nb', 'O'] |
mp-1235219 | LiZn(SbO2)4 | 4 | false | 0.351817 | 0.403212 | -0.868213 | false | 0.906793 | -0.592587 | ['Li', 'O', 'Sb', 'Zn'] |
mp-1235277 | LiMn9CdO10 | 4 | true | 0.293523 | -0.246399 | -0.868213 | false | 0.928805 | -0.516093 | ['Cd', 'Li', 'Mn', 'O'] |
mp-1235264 | LiMn4(CoO6)2 | 4 | true | 0.431192 | -0.060916 | -0.868213 | false | 0.130841 | -0.586131 | ['Co', 'Li', 'Mn', 'O'] |
mp-1235315 | LiMn6O5F7 | 4 | true | -0.538556 | -0.054287 | -0.868213 | false | 0.200736 | -0.587555 | ['F', 'Li', 'Mn', 'O'] |
mp-1235338 | LiMn2(SO5)2 | 4 | true | 0.085243 | 0.052675 | -0.868213 | false | -0.406658 | -0.717917 | ['Li', 'Mn', 'O', 'S'] |
mp-1235396 | LiMn6(OF2)4 | 4 | true | -0.607317 | -0.026088 | -0.744846 | false | 0.096566 | -0.557853 | ['F', 'Li', 'Mn', 'O'] |
mp-1235271 | LiMn6(OF2)4 | 4 | true | -0.605167 | -0.025521 | -0.779716 | false | 0.15167 | -0.571942 | ['F', 'Li', 'Mn', 'O'] |
mp-1235361 | LiDy2Mn4O8 | 4 | true | -0.513964 | -0.286949 | -0.596697 | false | 1.177077 | -0.64662 | ['Dy', 'Li', 'Mn', 'O'] |
mp-1235209 | LiZn(SbO2)4 | 4 | false | 0.289853 | 0.38687 | -0.868213 | false | 1.168844 | -0.638582 | ['Li', 'O', 'Sb', 'Zn'] |
mp-1235217 | LiZn4(SnO2)4 | 4 | false | 0.481409 | 0.597804 | -0.868213 | false | 1.043125 | -0.451165 | ['Li', 'O', 'Sn', 'Zn'] |
mp-1235238 | LiTi3V5O16 | 4 | false | -0.899384 | -0.44144 | -0.264446 | false | 0.114188 | -0.429509 | ['Li', 'O', 'Ti', 'V'] |
mp-1235253 | LiMn6(OF2)4 | 4 | true | -0.604417 | -0.025323 | -0.649646 | false | 0.145396 | -0.570367 | ['F', 'Li', 'Mn', 'O'] |
mp-1235299 | LiTiFe5O8 | 4 | true | 0.127621 | -0.202096 | -0.175949 | false | 0.512891 | -0.747673 | ['Fe', 'Li', 'O', 'Ti'] |
mp-1235314 | Ba3LiTi3O8 | 4 | false | -1.161259 | -0.13963 | -0.855213 | false | 0.929702 | -0.593964 | ['Ba', 'Li', 'O', 'Ti'] |
mp-1235424 | LiFe8(O7F)2 | 4 | true | 0.500166 | 0.013708 | -0.868213 | false | 0.481073 | -0.470309 | ['F', 'Fe', 'Li', 'O'] |
mp-1235509 | LiZn(SbO2)4 | 4 | false | 0.315193 | 0.393553 | -0.868213 | false | 1.248846 | -0.651346 | ['Li', 'O', 'Sb', 'Zn'] |
mp-1235430 | LiZn(SbO2)4 | 4 | false | 0.304871 | 0.390831 | -0.868213 | false | 1.003159 | -0.610299 | ['Li', 'O', 'Sb', 'Zn'] |
mp-1235465 | Cs7LiAu5O2 | 4 | false | 1.455115 | 1.254588 | -0.868213 | false | 1.324052 | 0.397295 | ['Au', 'Cs', 'Li', 'O'] |
mp-1235466 | Ba3LiTi3O8 | 4 | false | -1.125168 | -0.130112 | -0.868213 | false | 0.887013 | -0.585867 | ['Ba', 'Li', 'O', 'Ti'] |
mp-1235508 | Rb2Li(SbO2)2 | 4 | false | 0.301716 | 0.589274 | -0.868213 | false | 0.205332 | -0.664485 | ['Li', 'O', 'Rb', 'Sb'] |
mp-1235579 | LiV6O11F | 4 | false | -0.543282 | -0.326379 | -0.321864 | false | 0.324066 | -0.663403 | ['F', 'Li', 'O', 'V'] |
mp-1235659 | LiFe8(O7F)2 | 4 | true | 0.529312 | 0.021395 | -0.868213 | false | 0.2007 | -0.390864 | ['F', 'Fe', 'Li', 'O'] |
mp-1235664 | LiHf8(N2O)4 | 4 | false | -0.34271 | -0.8737 | -0.847426 | false | 4.081789 | -0.45405 | ['Hf', 'Li', 'N', 'O'] |
mp-1235528 | LiFe6(OF2)4 | 4 | true | -0.267467 | 0.126944 | 0.227803 | true | 0.260098 | -0.591723 | ['F', 'Fe', 'Li', 'O'] |
mp-1235655 | LiCr6(OF)4 | 4 | false | -0.097681 | -0.175172 | -0.868213 | false | -0.018973 | -0.646932 | ['Cr', 'F', 'Li', 'O'] |
mp-1235676 | LiCu6OF11 | 4 | false | 0.191529 | 0.787474 | -0.868213 | false | 0.52321 | -0.58941 | ['Cu', 'F', 'Li', 'O'] |
mp-1235775 | LiV4(NiO6)2 | 4 | true | -0.040174 | -0.139125 | -0.792987 | false | -0.178304 | -0.522314 | ['Li', 'Ni', 'O', 'V'] |
mp-1235450 | LiCu6OF11 | 4 | false | 0.195064 | 0.788406 | -0.868213 | false | 0.605606 | -0.606572 | ['Cu', 'F', 'Li', 'O'] |
mp-1235505 | LiP4(Br3O)4 | 4 | false | 0.766155 | 0.870285 | -0.563384 | false | -0.799526 | 0.926757 | ['Br', 'Li', 'O', 'P'] |
mp-1235533 | LiAl2V4O8 | 4 | false | -0.528707 | -0.251028 | -0.229643 | false | 0.24821 | -0.781293 | ['Al', 'Li', 'O', 'V'] |
mp-1235612 | LiSm4(Mo2O7)2 | 4 | false | -0.937488 | -0.391814 | 0.172146 | true | 1.965391 | -0.366222 | ['Li', 'Mo', 'O', 'Sm'] |
mp-1235674 | LiCu6OF11 | 4 | false | 0.252443 | 0.803539 | -0.868213 | false | 0.435117 | -0.569999 | ['Cu', 'F', 'Li', 'O'] |
mp-1235453 | LiCu6OF11 | 4 | false | 0.203656 | 0.790672 | -0.868213 | false | 0.558341 | -0.59684 | ['Cu', 'F', 'Li', 'O'] |
mp-1235479 | LiV4(GeO4)4 | 4 | false | -0.157962 | -0.080194 | -0.447804 | false | 0.935765 | -0.532947 | ['Ge', 'Li', 'O', 'V'] |
mp-1235671 | LiCu6OF11 | 4 | false | 0.20027 | 0.789779 | -0.868213 | false | 0.571832 | -0.599648 | ['Cu', 'F', 'Li', 'O'] |
mp-1235795 | LiFe8(OF)8 | 4 | true | -0.07213 | 0.074059 | 0.107077 | true | 0.265133 | -0.389735 | ['F', 'Fe', 'Li', 'O'] |
mp-1235840 | Rb12Li(ClO)4 | 4 | false | 0.660102 | 1.148279 | -0.868213 | false | -0.568069 | 0.808566 | ['Cl', 'Li', 'O', 'Rb'] |
mp-1235887 | LiAl4Tl4O12 | 4 | false | -0.110696 | 0.324755 | -0.868213 | false | 2.98437 | -0.581529 | ['Al', 'Li', 'O', 'Tl'] |
mp-1235585 | LiMn6O5F7 | 4 | true | -0.51995 | -0.049381 | -0.868213 | false | 0.189768 | -0.584911 | ['F', 'Li', 'Mn', 'O'] |
mp-1235763 | Rb2Li(TcO4)2 | 4 | false | -0.129035 | 0.0724 | -0.864286 | false | -0.256627 | -0.523365 | ['Li', 'O', 'Rb', 'Tc'] |
mp-1235835 | LiFe8(O7F)2 | 4 | true | 0.478206 | 0.007916 | -0.868213 | false | 0.463339 | -0.465728 | ['F', 'Fe', 'Li', 'O'] |
mp-1235411 | LiSi2(AgO)8 | 4 | false | 0.758067 | 0.592034 | -0.868213 | false | 1.595391 | -0.414304 | ['Ag', 'Li', 'O', 'Si'] |
mp-1235487 | LiAg4(PO3)4 | 4 | false | 0.045281 | 0.247545 | -0.868213 | false | 0.089585 | -0.30697 | ['Ag', 'Li', 'O', 'P'] |
mp-1235421 | LiFe8(O7F)2 | 4 | true | 0.494189 | 0.012132 | -0.868213 | false | 0.478388 | -0.469619 | ['F', 'Fe', 'Li', 'O'] |
mp-1235426 | LiFe6(OF2)4 | 4 | true | -0.240782 | 0.133982 | -0.04615 | false | 0.225627 | -0.583575 | ['F', 'Fe', 'Li', 'O'] |
mp-1235471 | LiCu6OF11 | 4 | false | 0.220714 | 0.795171 | -0.868213 | false | 0.433944 | -0.569733 | ['Cu', 'F', 'Li', 'O'] |
mp-1235550 | Ba4Li(GeO3)4 | 4 | false | -0.630284 | 0.164239 | -0.868213 | false | 0.640328 | -0.180008 | ['Ba', 'Ge', 'Li', 'O'] |
mp-1235597 | LiMn9CdO10 | 4 | true | 0.276167 | -0.250976 | -0.868213 | false | 0.85624 | -0.500524 | ['Cd', 'Li', 'Mn', 'O'] |
mp-1235661 | LiFe8(OF)8 | 4 | true | -0.089687 | 0.069428 | 0.034831 | true | 0.328664 | -0.408729 | ['F', 'Fe', 'Li', 'O'] |
mp-1235764 | LiCu6OF11 | 4 | false | 0.232421 | 0.798258 | -0.868213 | false | 0.463559 | -0.576392 | ['Cu', 'F', 'Li', 'O'] |
mp-1235771 | LiAl4Tl4O12 | 4 | false | -0.136857 | 0.317856 | -0.868213 | false | 2.58757 | -0.530408 | ['Al', 'Li', 'O', 'Tl'] |
mp-1235542 | LiFe6(OF2)4 | 4 | true | -0.263787 | 0.127915 | 0.285018 | true | 0.249614 | -0.589266 | ['F', 'Fe', 'Li', 'O'] |
mp-1235910 | LiMn6(OF2)4 | 4 | true | -0.601307 | -0.024503 | -0.792717 | false | 0.151297 | -0.571848 | ['F', 'Li', 'Mn', 'O'] |
mp-1235929 | LiMn6(OF2)4 | 4 | true | -0.580168 | -0.018928 | -0.618432 | false | 0.120316 | -0.563997 | ['F', 'Li', 'Mn', 'O'] |
mp-1235938 | LiZn(CoO2)4 | 4 | true | 0.77622 | 0.266075 | -0.765362 | false | 0.646557 | -0.79483 | ['Co', 'Li', 'O', 'Zn'] |
mp-1235897 | LiSm4Tm4O12 | 4 | false | -1.826941 | -0.298311 | -0.650391 | false | 3.052389 | -0.386676 | ['Li', 'O', 'Sm', 'Tm'] |
mp-1235944 | Ba3LiTi3O8 | 4 | false | -1.175134 | -0.143289 | -0.868213 | false | 0.752018 | -0.558866 | ['Ba', 'Li', 'O', 'Ti'] |
mp-1236125 | LiAl4Tl4O12 | 4 | false | -0.119136 | 0.322529 | -0.868213 | false | 2.878646 | -0.568644 | ['Al', 'Li', 'O', 'Tl'] |
mp-1236652 | LiCu6OF11 | 4 | false | 0.21984 | 0.79494 | -0.868213 | false | 0.423424 | -0.567335 | ['Cu', 'F', 'Li', 'O'] |
mp-1236701 | LiFe8(OF)8 | 4 | true | -0.07965 | 0.072075 | -0.022384 | false | 0.353702 | -0.415983 | ['F', 'Fe', 'Li', 'O'] |
mp-1236779 | LiHf8(N2O)4 | 4 | false | -0.362455 | -0.878907 | -0.868213 | false | 4.289642 | -0.478021 | ['Hf', 'Li', 'N', 'O'] |
mp-1235917 | LiTl6Si2O7 | 4 | false | 0.285164 | 0.496455 | -0.787503 | false | 1.581039 | -0.138968 | ['Li', 'O', 'Si', 'Tl'] |
mp-1236161 | LiCo6(OF5)2 | 4 | true | 0.137261 | 0.448817 | -0.803144 | false | 0.365564 | -0.588067 | ['Co', 'F', 'Li', 'O'] |
mp-1236176 | LiV6O11F | 4 | false | -0.560666 | -0.330964 | -0.298775 | false | 0.326402 | -0.663876 | ['F', 'Li', 'O', 'V'] |
mp-1236517 | LiMn6(OF2)4 | 4 | true | -0.591928 | -0.02203 | -0.331343 | false | -0.064643 | -0.512988 | ['F', 'Li', 'Mn', 'O'] |
mp-1236032 | LiZn4(SnO2)4 | 4 | false | 0.486438 | 0.59913 | -0.868213 | false | 0.925273 | -0.42416 | ['Li', 'O', 'Sn', 'Zn'] |
mp-1236236 | Rb4Li(Se2O7)2 | 4 | false | 0.434263 | 0.52945 | -0.475361 | false | -0.32567 | 0.067511 | ['Li', 'O', 'Rb', 'Se'] |
mp-1236446 | LiCu6OF11 | 4 | false | 0.187607 | 0.786439 | -0.868213 | false | 0.528448 | -0.590529 | ['Cu', 'F', 'Li', 'O'] |
mp-1235978 | LiTl6Si2O7 | 4 | false | 0.26696 | 0.491654 | -0.83903 | false | 1.667305 | -0.161672 | ['Li', 'O', 'Si', 'Tl'] |
mp-1236711 | LiCd4(TcO3)4 | 4 | false | 0.525639 | 0.204991 | -0.868213 | false | 2.167385 | -0.524314 | ['Cd', 'Li', 'O', 'Tc'] |
mp-1236280 | LiCd4(TcO3)4 | 4 | false | 0.517967 | 0.202968 | -0.868213 | false | 2.18685 | -0.527273 | ['Cd', 'Li', 'O', 'Tc'] |
mp-1236658 | LiY5(MoO6)2 | 4 | false | -1.332081 | -0.488463 | 0.249606 | true | 0.951838 | -0.463841 | ['Li', 'Mo', 'O', 'Y'] |
mp-1236036 | LiFe6(OF2)4 | 4 | true | -0.246327 | 0.13252 | -0.0018 | false | 0.227914 | -0.584122 | ['F', 'Fe', 'Li', 'O'] |
mp-1236137 | LiY4(BiO3)4 | 4 | false | -0.654553 | -0.05533 | -0.702595 | false | 2.018367 | -0.252887 | ['Bi', 'Li', 'O', 'Y'] |
mp-1236252 | LiSm4V4O12 | 4 | false | -1.195224 | -0.386011 | -0.234112 | false | 1.926669 | -0.511929 | ['Li', 'O', 'Sm', 'V'] |
mp-1236396 | LiAg4(PO3)4 | 4 | false | 0.040849 | 0.246377 | -0.868213 | false | 0.014037 | -0.279088 | ['Ag', 'Li', 'O', 'P'] |
mp-1236487 | LiSc4(FeO3)4 | 4 | true | -0.775603 | -0.330611 | 0.018174 | true | 0.390738 | -0.572011 | ['Fe', 'Li', 'O', 'Sc'] |
mp-1236508 | LiFe8(O7F)2 | 4 | true | 0.489586 | 0.010918 | -0.868213 | false | 0.474224 | -0.468547 | ['F', 'Fe', 'Li', 'O'] |
mp-1236534 | Cs2Li(IO3)2 | 4 | false | 0.714904 | 0.76557 | -0.686683 | false | 0.369857 | -0.544426 | ['Cs', 'I', 'Li', 'O'] |
mp-1236742 | LiMn2(P2O7)2 | 4 | true | -0.486382 | -0.125453 | -0.652761 | false | -0.587252 | -0.462441 | ['Li', 'Mn', 'O', 'P'] |
mp-1235950 | LiZn(CoO2)4 | 4 | true | 0.811599 | 0.275406 | -0.567379 | false | 0.687554 | -0.800515 | ['Co', 'Li', 'O', 'Zn'] |
mp-1235954 | LiCo6(OF5)2 | 4 | true | -0.082441 | 0.390875 | -0.015071 | false | 0.156027 | -0.536957 | ['Co', 'F', 'Li', 'O'] |
mp-1236206 | LiZn4(SnO2)4 | 4 | false | 0.438916 | 0.586597 | -0.868213 | false | 1.042809 | -0.451095 | ['Li', 'O', 'Sn', 'Zn'] |
mp-1236230 | LiMn6(OF2)4 | 4 | true | -0.577058 | -0.018108 | -0.394584 | false | -0.101448 | -0.501903 | ['F', 'Li', 'Mn', 'O'] |
mp-1236546 | LiSc4(FeO3)4 | 4 | true | -0.74423 | -0.322337 | -0.019134 | false | 0.489997 | -0.594058 | ['Fe', 'Li', 'O', 'Sc'] |
mp-1236085 | LiMn9CdO10 | 4 | true | 0.286948 | -0.248133 | -0.868213 | false | 0.943791 | -0.519227 | ['Cd', 'Li', 'Mn', 'O'] |
mp-1236190 | LiTl6Si2O7 | 4 | false | 0.296815 | 0.499528 | -0.861577 | false | 1.715227 | -0.173884 | ['Li', 'O', 'Si', 'Tl'] |
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