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-1238856 | Li(CrS2)2 | 3 | false | 1.184353 | 0.285613 | -0.868213 | false | -0.645922 | 0.409239 | ['Cr', 'Li', 'S'] |
mp-1238844 | Li(CrS2)2 | 3 | false | 1.09156 | 0.26114 | -0.868213 | false | -0.262208 | 0.127907 | ['Cr', 'Li', 'S'] |
mp-1238802 | Li(CrS2)2 | 3 | false | 1.032792 | 0.245642 | -0.868213 | false | -0.224168 | 0.105164 | ['Cr', 'Li', 'S'] |
mp-1245573 | LiPtN | 3 | false | 2.096414 | -4.001768 | -0.868213 | false | 3.456013 | -0.773418 | ['Li', 'N', 'Pt'] |
mp-1245978 | LiSnN | 3 | false | 1.912217 | 0.664205 | -0.868213 | false | 0.794831 | -0.695728 | ['Li', 'N', 'Sn'] |
mp-1245801 | LiInN | 3 | false | 1.87372 | -1.264528 | -0.868213 | false | 1.139668 | -0.760679 | ['In', 'Li', 'N'] |
mp-1245798 | LiFeN | 3 | true | 1.667422 | 0.168249 | -0.868213 | false | 0.037364 | -0.851173 | ['Fe', 'Li', 'N'] |
mp-1246424 | LiCrN | 3 | false | 1.71607 | 0.066661 | -0.868213 | false | 0.516697 | -0.928799 | ['Cr', 'Li', 'N'] |
mp-1246553 | LiGeN | 3 | false | 1.71914 | 0.553954 | -0.868213 | false | 0.115071 | -0.780504 | ['Ge', 'Li', 'N'] |
mp-1246409 | LiVN | 3 | false | 1.372951 | -0.575572 | -0.868213 | false | 0.369704 | -0.917704 | ['Li', 'N', 'V'] |
mp-1247100 | BaLiN | 3 | false | 1.642351 | 0.795227 | -0.868213 | false | 0.513791 | -0.56627 | ['Ba', 'Li', 'N'] |
mp-1246834 | LiCoN | 3 | true | 1.762215 | 0.322519 | -0.868213 | false | 0.550892 | -0.903164 | ['Co', 'Li', 'N'] |
mp-1247389 | LiPbN | 3 | false | 2.124668 | 0.748951 | -0.868145 | false | 2.246313 | -0.622504 | ['Li', 'N', 'Pb'] |
mp-1247481 | LiMnN | 3 | true | 1.778772 | 0.130688 | -0.868213 | false | 0.666084 | -0.931463 | ['Li', 'Mn', 'N'] |
mp-13140 | BaLiGe2 | 3 | false | 1.587483 | 1.009075 | -0.868213 | false | 0.606008 | -0.045398 | ['Ba', 'Ge', 'Li'] |
mp-13139 | SrLiGe2 | 3 | false | 1.587812 | 1.025595 | -0.868213 | false | 0.370703 | -0.169432 | ['Ge', 'Li', 'Sr'] |
mp-13916 | LiCaSi2 | 3 | false | 1.760725 | 0.932089 | -0.868213 | false | -1.085612 | -0.307932 | ['Ca', 'Li', 'Si'] |
mp-13917 | LiCaGe2 | 3 | false | 1.607314 | 1.008021 | -0.868213 | false | 0.034968 | -0.268197 | ['Ca', 'Ge', 'Li'] |
mp-16264 | LiCaSb | 3 | false | 1.06488 | 1.041657 | -0.43196 | false | 0.025118 | -0.383522 | ['Ca', 'Li', 'Sb'] |
mp-18162 | Li(CuO)2 | 3 | false | 0.816074 | 0.593197 | -0.868213 | false | 1.187008 | -0.661716 | ['Cu', 'Li', 'O'] |
mp-19408 | LiV2O5 | 3 | false | -0.50042 | -0.218647 | -0.036061 | false | -0.416376 | -0.080332 | ['Li', 'O', 'V'] |
mp-20428 | LiCeGe2 | 3 | false | 1.4956 | 0.693391 | -0.868213 | false | 1.373203 | -0.271882 | ['Ce', 'Ge', 'Li'] |
mp-21332 | LiGdO2 | 3 | false | -1.364083 | -0.698318 | 1.352934 | true | 1.713484 | -0.641937 | ['Gd', 'Li', 'O'] |
mp-23694 | LiBH | 3 | false | 1.877374 | 0.874879 | -0.549707 | false | -1.803221 | -0.897115 | ['B', 'H', 'Li'] |
mp-24342 | LiBeH3 | 3 | false | 1.926136 | 1.127902 | 0.963469 | true | -1.833059 | -0.877943 | ['Be', 'H', 'Li'] |
mp-28316 | K3LiSi4 | 3 | false | 2.09657 | 1.112275 | 0.195303 | true | -1.372096 | 1.431855 | ['K', 'Li', 'Si'] |
mp-28545 | RbLiO | 3 | false | 0.415702 | 0.890384 | 0.658166 | true | -0.133761 | -0.652499 | ['Li', 'O', 'Rb'] |
mp-28603 | NaLiSe | 3 | false | 0.662287 | -0.246282 | 0.78221 | true | -0.423715 | -0.5681 | ['Li', 'Na', 'Se'] |
mp-29344 | LiGaCl3 | 3 | false | 0.511579 | -0.199915 | 1.679904 | true | -0.69282 | 1.348004 | ['Cl', 'Ga', 'Li'] |
mp-30057 | LiCN | 3 | false | 1.753892 | 0.117681 | 2.877011 | true | -1.83503 | -0.61073 | ['C', 'Li', 'N'] |
mp-30156 | LiMgN | 3 | false | 1.281874 | 0.359856 | 0.625801 | true | -0.882833 | -0.881079 | ['Li', 'Mg', 'N'] |
mp-30456 | SrLiBi | 3 | false | 1.091754 | -5.527075 | -0.491883 | false | 1.341211 | -0.226512 | ['Bi', 'Li', 'Sr'] |
mp-30301 | LiClO4 | 3 | false | 1.062714 | 0.680226 | 3.021503 | true | -0.800042 | -0.439324 | ['Cl', 'Li', 'O'] |
mp-30209 | LiBH4 | 3 | false | 1.67835 | 0.909337 | 3.74383 | true | -2.024673 | -0.661119 | ['B', 'H', 'Li'] |
mp-31468 | LiCaN | 3 | false | 1.293903 | 0.085551 | 0.065165 | true | -0.923698 | -0.744209 | ['Ca', 'Li', 'N'] |
mp-568523 | LiBH2 | 3 | false | 2.279274 | 1.024344 | 0.036523 | true | -1.883236 | -0.83285 | ['B', 'H', 'Li'] |
mp-569501 | LiCaBi | 3 | false | 1.126267 | -4.733862 | -0.476174 | false | 1.094 | -0.326421 | ['Bi', 'Ca', 'Li'] |
mp-627993 | LiV2O5 | 3 | false | -0.451269 | -0.205684 | -0.643959 | false | -0.43512 | -0.069868 | ['Li', 'O', 'V'] |
mp-646071 | Li(YbGe)4 | 3 | false | 1.163392 | -4.730851 | -0.868213 | false | 3.292612 | 0.950789 | ['Ge', 'Li', 'Yb'] |
mp-7137 | LiTbO2 | 3 | false | -1.426772 | -0.030229 | 2.210342 | true | 1.880743 | -0.659756 | ['Li', 'O', 'Tb'] |
mp-752586 | LiMnF4 | 3 | true | -1.012299 | 0.366215 | -0.253274 | false | -0.58841 | -0.317016 | ['F', 'Li', 'Mn'] |
mp-752725 | LiAgF2 | 3 | false | -0.090534 | -0.66084 | 0.120754 | true | 0.804489 | -0.646391 | ['Ag', 'F', 'Li'] |
mp-752878 | LiAg2F4 | 3 | false | 0.249546 | -0.78304 | -0.725278 | false | 0.765744 | -0.067828 | ['Ag', 'F', 'Li'] |
mp-752911 | LiVF3 | 3 | false | -1.160872 | 0.261511 | 0.908556 | true | -0.285865 | -0.57509 | ['F', 'Li', 'V'] |
mp-753299 | LiAgF2 | 3 | false | -0.095419 | -0.662128 | 0.135176 | true | 0.508278 | -0.588299 | ['Ag', 'F', 'Li'] |
mp-753508 | LiCuS | 3 | false | 1.233384 | 0.882706 | 0.011606 | true | -0.18657 | -0.671539 | ['Cu', 'Li', 'S'] |
mp-753605 | LiCuS | 3 | false | 1.198359 | 0.873469 | 0.070988 | true | -0.354424 | -0.627399 | ['Cu', 'Li', 'S'] |
mp-753826 | LiCuS | 3 | false | 1.200966 | 0.874157 | 0.287726 | true | 0.181154 | -0.748987 | ['Cu', 'Li', 'S'] |
mp-754816 | LiFeF3 | 3 | true | -0.887624 | 0.369198 | 1.511646 | true | -0.149101 | -0.586853 | ['F', 'Fe', 'Li'] |
mp-754581 | LiFeF3 | 3 | true | -0.84089 | 0.381523 | 1.403717 | true | -0.269297 | -0.551902 | ['F', 'Fe', 'Li'] |
mp-755575 | LiFeF3 | 3 | true | -0.825931 | 0.385468 | 1.479958 | true | -0.313649 | -0.538039 | ['F', 'Fe', 'Li'] |
mp-755750 | LiVF5 | 3 | false | -1.139289 | 0.386 | 0.409604 | true | -0.857848 | -0.050132 | ['F', 'Li', 'V'] |
mp-756109 | LiFeF3 | 3 | true | -0.861378 | 0.37612 | 1.514151 | true | -0.066875 | -0.608781 | ['F', 'Fe', 'Li'] |
mp-760794 | LiVF4 | 3 | false | -1.285344 | 0.297983 | -0.868213 | false | -0.794838 | 0.766125 | ['F', 'Li', 'V'] |
mp-758283 | LiCuF4 | 3 | false | -0.109641 | 0.265221 | -0.868213 | false | -0.151884 | 0.356675 | ['Cu', 'F', 'Li'] |
mp-759752 | LiV2F7 | 3 | false | -1.280505 | 0.229818 | 0.951281 | true | -0.235965 | 0.126924 | ['F', 'Li', 'V'] |
mp-760803 | LiVF5 | 3 | false | -1.231911 | 0.361573 | 0.543398 | true | -0.681536 | 0.908661 | ['F', 'Li', 'V'] |
mp-764783 | LiMnF3 | 3 | true | -1.079721 | 0.27838 | 0.941192 | true | -0.721046 | -0.385033 | ['F', 'Li', 'Mn'] |
mp-765457 | LiMnF3 | 3 | true | -1.135741 | 0.263606 | 1.13017 | true | -0.471088 | -0.489665 | ['F', 'Li', 'Mn'] |
mp-767609 | LiVF5 | 3 | false | -1.228878 | 0.362373 | 0.640561 | true | -0.440186 | -0.289962 | ['F', 'Li', 'V'] |
mp-766925 | LiVF5 | 3 | false | -1.217594 | 0.365349 | 0.199027 | true | -0.556126 | -0.233672 | ['F', 'Li', 'V'] |
mp-767699 | LiVF4 | 3 | false | -1.318071 | 0.289352 | 0.637243 | true | -0.511942 | -0.377964 | ['F', 'Li', 'V'] |
mp-768997 | LiBi3O5 | 3 | false | 0.356653 | 0.397468 | 0.557617 | true | 3.522159 | 0.280718 | ['Bi', 'Li', 'O'] |
mp-770687 | LiCr2O5 | 3 | false | 0.003324 | -0.127079 | -0.868213 | false | -0.405924 | -0.073217 | ['Cr', 'Li', 'O'] |
mp-770731 | LiZr2O4 | 3 | false | -1.435122 | -0.447816 | -0.868213 | false | 0.773477 | -0.247611 | ['Li', 'O', 'Zr'] |
mp-770684 | LiCr2O4 | 3 | false | -0.280533 | -0.23495 | -0.769357 | false | 0.326063 | -0.446395 | ['Cr', 'Li', 'O'] |
mp-772513 | LiCr3O8 | 3 | false | 0.120851 | -0.132824 | 0.261997 | true | -0.570712 | 0.687783 | ['Cr', 'Li', 'O'] |
mp-776078 | LiFe2F5 | 3 | true | -0.751858 | 0.309783 | 1.298157 | true | -0.422934 | 0.075867 | ['F', 'Fe', 'Li'] |
mp-7756 | SrLiSb | 3 | false | 1.050866 | 1.06825 | -0.40386 | false | 0.392278 | -0.281403 | ['Li', 'Sb', 'Sr'] |
mp-776151 | LiFeF5 | 3 | true | -0.473992 | 0.586903 | -0.108578 | false | -0.733692 | -0.097769 | ['F', 'Fe', 'Li'] |
mp-776106 | LiMnF4 | 3 | true | -1.034543 | 0.360349 | 0.149666 | true | -0.293432 | -0.439649 | ['F', 'Li', 'Mn'] |
mp-776153 | LiFeF5 | 3 | true | -0.428899 | 0.598796 | -0.029155 | false | -0.866539 | -0.005539 | ['F', 'Fe', 'Li'] |
mp-776951 | LiMnF3 | 3 | true | -1.136422 | 0.263427 | 1.840173 | true | -0.064001 | -0.61428 | ['F', 'Li', 'Mn'] |
mp-777804 | LiFeF4 | 3 | true | -0.848258 | 0.442941 | 0.87267 | true | -0.639589 | 0.666999 | ['F', 'Fe', 'Li'] |
mp-777474 | LiFeF4 | 3 | true | -0.889611 | 0.432035 | 1.334247 | true | -0.543544 | -0.332121 | ['F', 'Fe', 'Li'] |
mp-777361 | LiMn2F5 | 3 | true | -1.070952 | 0.175434 | 1.504198 | true | -0.53338 | 0.137541 | ['F', 'Li', 'Mn'] |
mp-776734 | LiFeF5 | 3 | true | -0.416976 | 0.60194 | -0.567176 | false | -0.735149 | 1.044483 | ['F', 'Fe', 'Li'] |
mp-777559 | LiFeF4 | 3 | true | -0.908005 | 0.427184 | 1.332418 | true | -0.486917 | -0.357492 | ['F', 'Fe', 'Li'] |
mp-776813 | LiMnF4 | 3 | true | -1.036259 | 0.359896 | 0.114051 | true | -0.296398 | -0.438578 | ['F', 'Li', 'Mn'] |
mp-777667 | LiV2O5 | 3 | false | -0.528389 | -0.226023 | 0.284612 | true | -0.270638 | -0.155713 | ['Li', 'O', 'V'] |
mp-777899 | LiFeF3 | 3 | true | -0.857163 | 0.377231 | 1.48375 | true | -0.434551 | -0.497237 | ['F', 'Fe', 'Li'] |
mp-778512 | LiFeF4 | 3 | true | -0.828043 | 0.448272 | -0.868213 | false | -0.570709 | 0.599301 | ['F', 'Fe', 'Li'] |
mp-778697 | LiMnF3 | 3 | true | -1.121343 | 0.267403 | -0.868213 | false | -0.11682 | 0.037137 | ['F', 'Li', 'Mn'] |
mp-778352 | LiFeF4 | 3 | true | -0.858224 | 0.440313 | 1.114867 | true | -0.584461 | 0.612431 | ['F', 'Fe', 'Li'] |
mp-780728 | LiMnF4 | 3 | true | -1.031446 | 0.361165 | -0.425121 | false | -0.312519 | -0.43271 | ['F', 'Li', 'Mn'] |
mp-8754 | NaLiTe | 3 | false | 0.929333 | 1.16545 | 0.678276 | true | -0.115819 | -0.393505 | ['Li', 'Na', 'Te'] |
mp-867590 | LiCu2F5 | 3 | false | -0.097427 | 0.072824 | -0.592973 | false | -0.106138 | -0.015117 | ['Cu', 'F', 'Li'] |
mp-976726 | LiDyO2 | 3 | false | -1.446456 | -0.034006 | 2.222326 | true | 2.034864 | -0.669279 | ['Dy', 'Li', 'O'] |
mp-865658 | LiPrGe2 | 3 | false | 1.440891 | 0.761762 | -0.868213 | false | 1.375053 | -0.269727 | ['Ge', 'Li', 'Pr'] |
mp-1029331 | LiHf2N3 | 3 | false | 0.246704 | -4.2028 | -0.436496 | false | 3.114257 | -0.774979 | ['Hf', 'Li', 'N'] |
mp-1029338 | LiV2N3 | 3 | false | 0.921276 | -1.020723 | -0.868213 | false | 0.265394 | -0.889317 | ['Li', 'N', 'V'] |
mp-1029424 | LiTi2N3 | 3 | false | 0.48754 | -0.398264 | 0.341149 | true | -0.110878 | -0.851038 | ['Li', 'N', 'Ti'] |
mp-1029297 | LiZr2N3 | 3 | false | 0.36525 | -2.004943 | -0.634073 | false | 0.587454 | -0.758665 | ['Li', 'N', 'Zr'] |
mp-1077386 | LiFeP | 3 | true | 1.554518 | 0.421154 | -0.868213 | false | 0.141566 | -1.011197 | ['Fe', 'Li', 'P'] |
mp-1078650 | LiLuSn2 | 3 | false | 1.832457 | 0.973885 | -0.868213 | false | 2.534872 | -0.704748 | ['Li', 'Lu', 'Sn'] |
mp-1078515 | LiTbSn2 | 3 | false | 1.668616 | 0.922249 | -0.868213 | false | 2.242858 | -0.693629 | ['Li', 'Sn', 'Tb'] |
mp-1078879 | LiPrSn2 | 3 | false | 1.540682 | 0.877077 | -0.868213 | false | 1.791047 | -0.663301 | ['Li', 'Pr', 'Sn'] |
mp-1079607 | LiLaSn2 | 3 | false | 1.473657 | 0.849206 | -0.868213 | false | 1.703503 | -0.654404 | ['La', 'Li', 'Sn'] |
mp-1080066 | LiTmSn2 | 3 | false | 1.783262 | 0.963754 | -0.868213 | false | 2.430609 | -0.701325 | ['Li', 'Sn', 'Tm'] |
mp-1080658 | LiErSn2 | 3 | false | 1.747428 | 0.948122 | -0.868213 | false | 2.410164 | -0.701279 | ['Er', 'Li', 'Sn'] |
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