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-1001783 | LiSnS2 | 3 | false | 1.115484 | 0.803263 | -0.868213 | false | 0.159223 | -1.00998 | ['Li', 'S', 'Sn'] |
mp-1067160 | LiYbS2 | 3 | false | -0.173551 | -2.495536 | -0.868213 | false | 0.983493 | -1.013925 | ['Li', 'S', 'Yb'] |
mp-10618 | LiInSe2 | 3 | false | 1.098891 | -2.058574 | -0.300738 | false | 0.990277 | -0.981753 | ['In', 'Li', 'Se'] |
mp-1094130 | LiNO3 | 3 | false | 3.023119 | 0.880013 | -0.868213 | false | -0.96014 | -1.095356 | ['Li', 'N', 'O'] |
mp-1097040 | LiCoF2 | 3 | true | -0.096668 | 0.579707 | -0.868213 | false | 0.426938 | -1.124655 | ['Co', 'F', 'Li'] |
mp-1176792 | LiAgF2 | 3 | false | -0.174245 | -0.682917 | 0.412312 | true | 0.796964 | -1.089873 | ['Ag', 'F', 'Li'] |
mp-1176669 | LiHoO2 | 3 | false | -1.369538 | -0.01222 | -0.868145 | false | 2.082594 | -1.095712 | ['Ho', 'Li', 'O'] |
mp-1222297 | LiTbS2 | 3 | false | -0.126936 | 0.430027 | 0.523491 | true | 0.614349 | -1.001923 | ['Li', 'S', 'Tb'] |
mp-1222370 | LiGdS2 | 3 | false | -0.119428 | -0.252615 | 0.251163 | true | 0.523367 | -0.996607 | ['Gd', 'Li', 'S'] |
mp-1222296 | LiSmS2 | 3 | false | -0.086898 | 0.434731 | 0.450907 | true | 0.366019 | -0.991077 | ['Li', 'S', 'Sm'] |
mp-1222404 | LiBiS2 | 3 | false | 1.08718 | 0.804469 | 0.133416 | true | 1.130298 | -0.991289 | ['Bi', 'Li', 'S'] |
mp-1222303 | LiNdS2 | 3 | false | -0.056394 | 0.43918 | 0.36952 | true | 0.199222 | -0.983107 | ['Li', 'Nd', 'S'] |
mp-1404711 | LiCoO2 | 3 | true | 0.301332 | 0.244502 | 0.483272 | true | 0.617 | -0.836393 | ['Co', 'Li', 'O'] |
mp-14115 | LiRhO2 | 3 | false | 0.460026 | 0.269606 | 0.157791 | true | 1.692633 | -1.129849 | ['Li', 'O', 'Rh'] |
mp-15789 | LiDyS2 | 3 | false | -0.131913 | 0.430128 | 0.441766 | true | 0.698664 | -1.004557 | ['Dy', 'Li', 'S'] |
mp-15788 | LiYS2 | 3 | false | -0.125249 | 0.294739 | 0.432083 | true | -0.319716 | -1.003739 | ['Li', 'S', 'Y'] |
mp-15792 | LiGdSe2 | 3 | false | 0.052295 | -3.844695 | -0.074859 | false | 1.284087 | -0.965726 | ['Gd', 'Li', 'Se'] |
mp-15790 | LiHoS2 | 3 | false | -0.136154 | 0.43051 | 0.476704 | true | 0.76513 | -1.006917 | ['Ho', 'Li', 'S'] |
mp-15793 | LiTbSe2 | 3 | false | 0.052159 | 0.570462 | 0.148312 | true | 1.360866 | -0.969742 | ['Li', 'Se', 'Tb'] |
mp-15791 | LiErS2 | 3 | false | -0.144082 | 0.430593 | 0.490449 | true | 0.839109 | -1.009795 | ['Er', 'Li', 'S'] |
mp-15795 | LiDySe2 | 3 | false | 0.009967 | -3.027834 | 0.170995 | true | 1.449124 | -0.97283 | ['Dy', 'Li', 'Se'] |
mp-15796 | LiHoSe2 | 3 | false | 0.012557 | -3.092401 | 0.196792 | true | 1.518288 | -0.97545 | ['Ho', 'Li', 'Se'] |
mp-15794 | LiYSe2 | 3 | false | 0.006044 | -2.182494 | 0.163614 | true | 0.548846 | -0.971925 | ['Li', 'Se', 'Y'] |
mp-15797 | LiErSe2 | 3 | false | 0.017733 | -3.166771 | 0.225366 | true | 1.585842 | -0.97796 | ['Er', 'Li', 'Se'] |
mp-18793 | LiCrO2 | 3 | false | -0.4782 | -0.143849 | 1.241349 | true | 0.369175 | -1.136794 | ['Cr', 'Li', 'O'] |
mp-19338 | LiMoO2 | 3 | false | 0.013239 | -0.100751 | -0.868213 | false | 1.703982 | -1.135445 | ['Li', 'Mo', 'O'] |
mp-19340 | LiVO2 | 3 | false | -0.57189 | -0.127274 | -0.868213 | false | 0.33375 | -0.832437 | ['Li', 'O', 'V'] |
mp-19419 | LiFeO2 | 3 | true | 0.114309 | 0.098225 | 0.263892 | true | 0.405085 | -1.133806 | ['Fe', 'Li', 'O'] |
mp-22526 | LiCoO2 | 3 | true | 0.251175 | 0.231274 | -0.419772 | false | 0.913818 | -1.14642 | ['Co', 'Li', 'O'] |
mp-25417 | LiTiO2 | 3 | false | -1.081945 | -0.175586 | -0.868213 | false | 0.100539 | -1.131437 | ['Li', 'O', 'Ti'] |
mp-25467 | LiWO2 | 3 | false | 0.24737 | -0.192236 | -0.868213 | false | 2.967163 | -1.107642 | ['Li', 'O', 'W'] |
mp-25372 | LiCuO2 | 3 | false | 0.650611 | 0.556709 | -0.868213 | false | 0.662684 | -1.134491 | ['Cu', 'Li', 'O'] |
mp-25411 | LiNiO2 | 3 | true | 0.537504 | 0.40495 | -0.868213 | false | 0.760447 | -1.142352 | ['Li', 'Ni', 'O'] |
mp-25373 | LiMnO2 | 3 | true | -0.096802 | -0.007646 | -0.868213 | false | 0.188075 | -1.12649 | ['Li', 'Mn', 'O'] |
mp-24199 | LiHF2 | 3 | false | -0.621413 | 0.712478 | 4.578893 | false | -0.942694 | -1.144051 | ['F', 'H', 'Li'] |
mp-33551 | LiFe5O8 | 3 | true | 0.369043 | -0.101544 | -0.057661 | false | 0.764729 | -0.832308 | ['Fe', 'Li', 'O'] |
mp-624492 | Li(Fe3Ge2)2 | 3 | true | 1.98731 | 0.18426 | -0.868213 | false | 2.347254 | -0.820278 | ['Fe', 'Ge', 'Li'] |
mp-652425 | LiFe6Ge5 | 3 | true | 1.975804 | 0.225996 | -0.868213 | false | 2.432619 | -0.322532 | ['Fe', 'Ge', 'Li'] |
mp-752546 | LiTi4O8 | 3 | false | -1.418728 | -0.466359 | -0.868213 | false | -0.095462 | -0.804313 | ['Li', 'O', 'Ti'] |
mp-753098 | LiCuF2 | 3 | false | -0.281531 | 0.051085 | 0.414276 | true | 0.440161 | -1.120146 | ['Cu', 'F', 'Li'] |
mp-754344 | LiZnO2 | 3 | false | 0.378934 | 0.691025 | -0.868213 | false | 0.559245 | -1.129049 | ['Li', 'O', 'Zn'] |
mp-754130 | LiMn4O8 | 3 | true | 0.112778 | -0.175528 | -0.868213 | false | 0.200402 | -0.818197 | ['Li', 'Mn', 'O'] |
mp-754537 | LiLuO2 | 3 | false | -1.478037 | -0.035322 | 2.391262 | true | 2.573067 | -1.103123 | ['Li', 'Lu', 'O'] |
mp-754542 | LiVS2 | 3 | false | 0.722967 | 0.331668 | -0.868213 | false | -0.380831 | -1.054233 | ['Li', 'S', 'V'] |
mp-758972 | Li(CoO2)4 | 3 | true | 0.790268 | 0.184251 | -0.868213 | false | 0.60117 | -0.473503 | ['Co', 'Li', 'O'] |
mp-780322 | Li(CoO2)4 | 3 | true | 0.745748 | 0.17251 | -0.868213 | false | 0.694623 | -0.495808 | ['Co', 'Li', 'O'] |
mp-777047 | LiTmO2 | 3 | false | -1.435522 | -0.021267 | 2.284213 | true | 2.300508 | -1.099495 | ['Li', 'O', 'Tm'] |
mp-773010 | LiFe23O32 | 3 | true | 0.390858 | -0.197774 | -0.288415 | false | 0.668673 | 0.582395 | ['Fe', 'Li', 'O'] |
mp-8001 | LiAlO2 | 3 | false | -1.235475 | 0.084945 | 3.274467 | true | -0.208116 | -1.146241 | ['Al', 'Li', 'O'] |
mp-8002 | LiGaO2 | 3 | false | -0.372672 | 0.364535 | 1.667378 | true | 0.765815 | -1.131705 | ['Ga', 'Li', 'O'] |
mp-849241 | LiNiO2 | 3 | true | 0.541232 | 0.405933 | -0.868213 | false | 0.616744 | -0.737144 | ['Li', 'Ni', 'O'] |
mp-1079935 | LiCaH3 | 3 | false | 1.539774 | 0.796413 | 0.861566 | true | -1.368922 | -0.956545 | ['Ca', 'H', 'Li'] |
mp-1078188 | LiOsO3 | 3 | false | 0.261558 | -0.015941 | -0.868213 | false | 2.96497 | -0.950788 | ['Li', 'O', 'Os'] |
mp-552588 | LiNbO3 | 3 | false | -0.981957 | -0.278547 | 0.672182 | true | 0.435612 | -0.916014 | ['Li', 'Nb', 'O'] |
mp-752938 | LiMnF3 | 3 | true | -1.14185 | 0.261995 | 1.32822 | true | -0.386591 | -0.878806 | ['F', 'Li', 'Mn'] |
mp-8180 | LiNO3 | 3 | false | 0.646025 | 0.253106 | 1.120352 | true | -0.86003 | -0.969899 | ['Li', 'N', 'O'] |
mp-779073 | LiMnF3 | 3 | true | -1.120313 | 0.267675 | 1.701368 | true | -0.310209 | -0.197566 | ['F', 'Li', 'Mn'] |
mp-777470 | LiFeF3 | 3 | true | -0.696836 | 0.419514 | 1.546652 | true | -0.224077 | -0.229149 | ['F', 'Fe', 'Li'] |
mp-1180803 | LiCO2 | 3 | false | 0.509438 | 0.147402 | -0.601843 | false | -1.641729 | 2.153838 | ['C', 'Li', 'O'] |
mp-1211053 | LiSO4 | 3 | false | 0.151825 | 0.329268 | -0.858666 | false | -1.437147 | -0.621631 | ['Li', 'O', 'S'] |
mp-22955 | LiIO3 | 3 | false | 0.647912 | 0.649033 | 1.627633 | true | 0.570922 | -0.859343 | ['I', 'Li', 'O'] |
mp-1103933 | Li(MoSe)3 | 3 | false | 1.405787 | -3.211079 | -0.830973 | false | 1.219543 | -0.323319 | ['Li', 'Mo', 'Se'] |
mp-1079781 | LiCaAl3 | 3 | false | 2.36468 | 0.443478 | -0.868213 | false | -1.20818 | -0.607038 | ['Al', 'Ca', 'Li'] |
mp-760151 | LiAgF3 | 3 | false | -0.035531 | -0.392592 | -0.708689 | false | 0.431062 | -0.113398 | ['Ag', 'F', 'Li'] |
mp-761897 | LiCuF3 | 3 | false | -0.384219 | 0.125286 | -0.374 | false | 0.114233 | -0.302766 | ['Cu', 'F', 'Li'] |
mp-2861076 | LiMnO2 | 3 | true | -0.160536 | -0.024454 | 0.476162 | true | 0.232672 | -0.798776 | ['Li', 'Mn', 'O'] |
mp-941221 | Li(BH)5 | 3 | false | 1.791006 | 0.632056 | 2.513613 | true | -1.834549 | 0.646159 | ['B', 'H', 'Li'] |
mp-1446564 | LiFeF3 | 3 | true | -0.474977 | 0.478025 | 2.102006 | true | -0.06756 | -0.923377 | ['F', 'Fe', 'Li'] |
mp-545343 | LiIO3 | 3 | false | 0.922564 | 0.721466 | -0.868213 | false | 1.03091 | -0.908565 | ['I', 'Li', 'O'] |
mp-754676 | LiMnF3 | 3 | true | -1.152433 | 0.259204 | 1.603663 | true | -0.193349 | -0.908792 | ['F', 'Li', 'Mn'] |
mp-753025 | LiMnF3 | 3 | true | -1.086498 | 0.276593 | 1.530266 | true | -0.535104 | -0.465392 | ['F', 'Li', 'Mn'] |
mp-1006328 | LiCeSn | 3 | false | 1.588444 | 0.811063 | -0.868213 | false | 1.456226 | 0.481956 | ['Ce', 'Li', 'Sn'] |
mp-1176519 | LiVO2 | 3 | false | -0.516958 | -0.112787 | -0.868213 | false | 0.086274 | -0.793752 | ['Li', 'O', 'V'] |
mp-1180532 | LiClO7 | 3 | false | 2.219413 | 0.886333 | -0.868213 | false | -1.245503 | -0.454214 | ['Cl', 'Li', 'O'] |
mp-1190624 | LiLuSn | 3 | false | 1.510924 | 0.927497 | -0.849254 | false | 2.509808 | 0.299081 | ['Li', 'Lu', 'Sn'] |
mp-1190768 | LiSmSn | 3 | false | 1.441677 | 0.890191 | -0.868213 | false | 1.685045 | 0.450797 | ['Li', 'Sm', 'Sn'] |
mp-1191015 | LiNdSn | 3 | false | 1.442757 | 0.885683 | -0.866249 | false | 1.438259 | 0.516611 | ['Li', 'Nd', 'Sn'] |
mp-1192002 | LiHoSn | 3 | false | 1.47068 | 0.909534 | -0.863812 | false | 2.2269 | 0.336519 | ['Ho', 'Li', 'Sn'] |
mp-1191877 | LiGdSn | 3 | false | 1.44748 | -0.0133 | -0.868213 | false | 1.842617 | 0.430276 | ['Gd', 'Li', 'Sn'] |
mp-1191159 | LiPrSn | 3 | false | 1.450273 | 0.885022 | -0.864827 | false | 1.311898 | 0.552245 | ['Li', 'Pr', 'Sn'] |
mp-1192296 | LiSnSb | 3 | false | 1.9102 | 1.070776 | -0.868213 | false | 1.089164 | 0.526501 | ['Li', 'Sb', 'Sn'] |
mp-1192210 | LiDySn | 3 | false | 1.461022 | 0.904985 | -0.865234 | false | 2.079648 | 0.373457 | ['Dy', 'Li', 'Sn'] |
mp-1210922 | LiMnO7 | 3 | true | 1.93357 | 0.575172 | -0.868213 | false | -1.104146 | -0.444105 | ['Li', 'Mn', 'O'] |
mp-1246087 | LiGeN | 3 | false | 1.709674 | 0.551457 | -0.868213 | false | 0.297084 | -1.024168 | ['Ge', 'Li', 'N'] |
mp-1245983 | LiSnN | 3 | false | 1.837417 | 0.644478 | -0.081156 | false | 0.8095 | -0.968138 | ['Li', 'N', 'Sn'] |
mp-18189 | LiTmSn | 3 | false | 1.48802 | 0.925246 | -0.868213 | false | 2.400827 | 0.301667 | ['Li', 'Sn', 'Tm'] |
mp-2659898 | LiBH4 | 3 | false | 1.708511 | 0.917291 | 3.751955 | true | -2.083118 | -0.910051 | ['B', 'H', 'Li'] |
mp-31301 | LiSn4Au3 | 3 | false | 1.861085 | 1.022442 | -0.868213 | false | 3.966109 | -0.175255 | ['Au', 'Li', 'Sn'] |
mp-504790 | LiYSn | 3 | false | 1.440129 | 0.716613 | -0.868213 | false | 0.915827 | 0.36962 | ['Li', 'Sn', 'Y'] |
mp-644223 | LiBH4 | 3 | false | 1.730007 | 0.92296 | 3.658516 | true | -2.032881 | -0.944662 | ['B', 'H', 'Li'] |
mp-753473 | LiCoO2 | 3 | true | 0.353771 | 0.258331 | -0.25368 | false | 0.437197 | -1.025012 | ['Co', 'Li', 'O'] |
mp-753227 | LiCrO2 | 3 | false | -0.440746 | -0.133972 | 1.140665 | true | 0.198447 | -0.807165 | ['Cr', 'Li', 'O'] |
mp-755000 | LiTiO2 | 3 | false | -1.046173 | -0.166152 | -0.868213 | false | 0.070418 | -1.022232 | ['Li', 'O', 'Ti'] |
mp-754917 | Li(NiO2)2 | 3 | true | 0.89516 | 0.396175 | -0.639964 | false | 0.675504 | -0.479299 | ['Li', 'Ni', 'O'] |
mp-754977 | LiFeO2 | 3 | true | 0.074586 | 0.087749 | 0.341149 | true | 0.212735 | -1.014715 | ['Fe', 'Li', 'O'] |
mp-771014 | Li(CoO2)2 | 3 | true | 0.669069 | 0.224363 | -0.868213 | false | 0.796672 | -0.505252 | ['Co', 'Li', 'O'] |
mp-7874 | LiGaGe | 3 | false | 1.877558 | 1.109312 | -0.868213 | false | 0.739488 | -0.943267 | ['Ga', 'Ge', 'Li'] |
mp-771290 | LiMn2O4 | 3 | true | -0.073476 | -0.139637 | -0.815061 | false | 0.249589 | -0.397077 | ['Li', 'Mn', 'O'] |
mp-771322 | LiCr2O4 | 3 | false | -0.270798 | -0.232383 | -0.868213 | false | 0.349423 | -0.452865 | ['Cr', 'Li', 'O'] |
mp-776170 | LiTi2O4 | 3 | false | -1.354926 | -0.372598 | -0.868213 | false | 0.005388 | -0.387566 | ['Li', 'O', 'Ti'] |
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