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-762649 | Na3LiMn5O9 | 4 | true | -0.024826 | -0.019692 | -0.468929 | false | 0.263604 | -0.665896 | ['Li', 'Mn', 'Na', 'O'] |
mp-763371 | LiFe2(CO3)4 | 4 | true | 0.296315 | -0.14138 | -0.820748 | false | -1.015248 | -0.467913 | ['C', 'Fe', 'Li', 'O'] |
mp-762834 | LiTi2Co3O10 | 4 | true | -0.111625 | -0.097009 | -0.737262 | false | 0.246087 | -0.726445 | ['Co', 'Li', 'O', 'Ti'] |
mp-763560 | LiMn2(CO3)4 | 4 | true | 0.196423 | -0.18886 | -0.371359 | false | -0.957693 | -0.500238 | ['C', 'Li', 'Mn', 'O'] |
mp-763318 | LiCo2(BO3)2 | 4 | true | -0.138677 | -0.059929 | -0.253138 | false | -0.235612 | -0.896069 | ['B', 'Co', 'Li', 'O'] |
mp-763524 | LiFe2(CO3)4 | 4 | true | 0.307488 | -0.138434 | -0.868213 | false | -0.950521 | 0.238349 | ['C', 'Fe', 'Li', 'O'] |
mp-764519 | LiFe2(BO3)2 | 4 | true | -0.317627 | -0.177634 | 0.194084 | true | -0.341168 | 0.160236 | ['B', 'Fe', 'Li', 'O'] |
mp-764465 | LiFe2(BO3)2 | 4 | true | -0.329548 | -0.180778 | 0.226855 | true | -0.354135 | 0.16865 | ['B', 'Fe', 'Li', 'O'] |
mp-764514 | LiFe2(BO3)2 | 4 | true | -0.316155 | -0.177246 | 0.207761 | true | -0.354421 | 0.168837 | ['B', 'Fe', 'Li', 'O'] |
mp-764478 | LiFe8(BO3)8 | 4 | true | -0.255259 | -0.240119 | 0.082634 | true | -0.402312 | 0.169113 | ['B', 'Fe', 'Li', 'O'] |
mp-764508 | LiFe2(BO3)2 | 4 | true | -0.321133 | -0.178559 | 0.30831 | true | -0.344945 | 0.162676 | ['B', 'Fe', 'Li', 'O'] |
mp-764518 | LiFe8(BO3)8 | 4 | true | -0.256043 | -0.240326 | 0.076404 | true | -0.402785 | 0.169429 | ['B', 'Fe', 'Li', 'O'] |
mp-764620 | LiFe4(BO3)4 | 4 | true | -0.279024 | -0.218822 | 0.282513 | true | -0.394719 | 0.17459 | ['B', 'Fe', 'Li', 'O'] |
mp-764652 | LiFe2(BO3)2 | 4 | true | -0.322129 | -0.178821 | -0.032608 | false | -0.356819 | 0.170405 | ['B', 'Fe', 'Li', 'O'] |
mp-764552 | LiFe2(BO3)2 | 4 | true | -0.333889 | -0.181923 | 0.317992 | true | -0.367238 | 0.177257 | ['B', 'Fe', 'Li', 'O'] |
mp-764720 | LiFe2(BO3)2 | 4 | true | -0.334872 | -0.182182 | 0.351238 | true | -0.360066 | -0.532808 | ['B', 'Fe', 'Li', 'O'] |
mp-764573 | LiFe2(BO3)2 | 4 | true | -0.324392 | -0.179418 | 0.269309 | true | -0.340697 | 0.159932 | ['B', 'Fe', 'Li', 'O'] |
mp-764651 | LiFe2(BO3)2 | 4 | true | -0.322275 | -0.17886 | 0.262132 | true | -0.32817 | 0.151902 | ['B', 'Fe', 'Li', 'O'] |
mp-764589 | LiFe2(BO3)2 | 4 | true | -0.324501 | -0.179447 | 0.320498 | true | -0.355517 | 0.169553 | ['B', 'Fe', 'Li', 'O'] |
mp-764547 | LiFe2(BO3)2 | 4 | true | -0.323588 | -0.179206 | 0.236605 | true | -0.347953 | 0.164626 | ['B', 'Fe', 'Li', 'O'] |
mp-764566 | LiFe8(BO3)8 | 4 | true | -0.251634 | -0.239163 | -0.025295 | false | -0.4032 | 0.169706 | ['B', 'Fe', 'Li', 'O'] |
mp-764624 | LiFe2(BO3)2 | 4 | true | -0.327151 | -0.180146 | 0.345686 | true | -0.358595 | 0.171568 | ['B', 'Fe', 'Li', 'O'] |
mp-764702 | LiFe2(BO3)2 | 4 | true | -0.321884 | -0.178757 | 0.215209 | true | -0.350226 | 0.166103 | ['B', 'Fe', 'Li', 'O'] |
mp-764587 | LiFe2(BO3)2 | 4 | true | -0.320533 | -0.178401 | 0.128812 | true | -0.337797 | 0.158065 | ['B', 'Fe', 'Li', 'O'] |
mp-764612 | LiFe2(BO3)2 | 4 | true | -0.323117 | -0.179082 | 0.068212 | true | -0.366583 | 0.176823 | ['B', 'Fe', 'Li', 'O'] |
mp-764679 | LiFe2(BO3)2 | 4 | true | -0.320832 | -0.178479 | 0.278653 | true | -0.341619 | 0.160526 | ['B', 'Fe', 'Li', 'O'] |
mp-764738 | LiFe4(BO3)4 | 4 | true | -0.283878 | -0.220103 | 0.297544 | true | -0.394975 | 0.174761 | ['B', 'Fe', 'Li', 'O'] |
mp-764723 | LiFe4(BO3)4 | 4 | true | -0.278099 | -0.218579 | 0.062185 | true | -0.389655 | 0.171214 | ['B', 'Fe', 'Li', 'O'] |
mp-764799 | LiFe2(BO3)2 | 4 | true | -0.320356 | -0.178354 | 0.329774 | true | -0.369358 | 0.178659 | ['B', 'Fe', 'Li', 'O'] |
mp-764885 | LiFe8(BO3)8 | 4 | true | -0.25241 | -0.239367 | -0.010061 | false | -0.389178 | 0.160393 | ['B', 'Fe', 'Li', 'O'] |
mp-765223 | LiV2OF5 | 4 | false | -1.185458 | 0.110854 | 0.315149 | true | -0.088137 | -0.364307 | ['F', 'Li', 'O', 'V'] |
mp-765768 | LiCo2OF3 | 4 | true | -0.213576 | 0.368872 | 0.132333 | true | 0.231354 | -0.311937 | ['Co', 'F', 'Li', 'O'] |
mp-766128 | LiMn2(PO5)2 | 4 | true | -0.234156 | -0.080966 | -0.833546 | false | -0.248719 | -0.27658 | ['Li', 'Mn', 'O', 'P'] |
mp-766412 | LiCr2(PO4)2 | 4 | false | -0.562328 | -0.208253 | -0.753242 | false | -0.513277 | 0.21272 | ['Cr', 'Li', 'O', 'P'] |
mp-766397 | LiCr2(PO5)2 | 4 | false | -0.365628 | -0.134635 | -0.825894 | false | -0.329903 | -0.258082 | ['Cr', 'Li', 'O', 'P'] |
mp-766388 | LiMn2(PO4)2 | 4 | true | -0.578687 | -0.190648 | -0.633328 | false | -0.294947 | 0.095231 | ['Li', 'Mn', 'O', 'P'] |
mp-766485 | LiFe2(PO4)2 | 4 | true | -0.38393 | -0.108396 | -0.196127 | false | -0.311362 | 0.113133 | ['Fe', 'Li', 'O', 'P'] |
mp-766800 | LiFe2(PO4)2 | 4 | true | -0.421122 | -0.118205 | 0.129557 | true | -0.654548 | 1.964523 | ['Fe', 'Li', 'O', 'P'] |
mp-766625 | LiFe2(BO3)2 | 4 | true | -0.312092 | -0.176174 | -0.868213 | false | -0.365993 | 0.176434 | ['B', 'Fe', 'Li', 'O'] |
mp-767070 | LiLa5Ti8O24 | 4 | false | -1.817904 | -0.532703 | 0.606706 | true | 0.913016 | 0.138392 | ['La', 'Li', 'O', 'Ti'] |
mp-766880 | LiCo2(PO4)2 | 4 | true | -0.274963 | -0.019995 | -0.603739 | false | -0.585077 | 1.910674 | ['Co', 'Li', 'O', 'P'] |
mp-767384 | Ba2LiTi11O24 | 4 | false | -1.631569 | -0.505279 | -0.868213 | false | 0.331102 | 0.108369 | ['Ba', 'Li', 'O', 'Ti'] |
mp-767433 | LiV2OF5 | 4 | false | -1.186769 | 0.110508 | 0.315081 | true | -0.093811 | -0.362254 | ['F', 'Li', 'O', 'V'] |
mp-767424 | KLiSb3O8 | 4 | false | 0.044439 | 0.322682 | -0.673006 | false | 0.771447 | -0.183353 | ['K', 'Li', 'O', 'Sb'] |
mp-767427 | LiFe2(BO3)2 | 4 | true | -0.319998 | -0.178259 | 0.124749 | true | -0.352258 | 0.167426 | ['B', 'Fe', 'Li', 'O'] |
mp-767674 | KLiSb3O8 | 4 | false | 0.040445 | 0.321628 | -0.868213 | false | 0.82462 | 0.318808 | ['K', 'Li', 'O', 'Sb'] |
mp-768541 | LiMn3(PO4)3 | 4 | true | -0.571511 | -0.215675 | -0.746065 | false | -0.231068 | 1.334282 | ['Li', 'Mn', 'O', 'P'] |
mp-768552 | LiCrBO3 | 4 | false | -0.509333 | -0.195505 | 0.27696 | true | -0.406572 | 0.378774 | ['B', 'Cr', 'Li', 'O'] |
mp-768495 | LiMn2(PO4)2 | 4 | true | -0.592964 | -0.194414 | -0.868213 | false | -0.208494 | 1.328398 | ['Li', 'Mn', 'O', 'P'] |
mp-768447 | LiMn3(PO4)3 | 4 | true | -0.557763 | -0.212049 | -0.868213 | false | -0.197446 | 0.029359 | ['Li', 'Mn', 'O', 'P'] |
mp-768758 | LiCoBO3 | 4 | true | -0.259329 | -0.007728 | 0.693104 | true | -0.277343 | 0.374894 | ['B', 'Co', 'Li', 'O'] |
mp-768474 | LiMnBO3 | 4 | true | -0.519825 | -0.174527 | 0.598243 | true | -0.469059 | 0.469939 | ['B', 'Li', 'Mn', 'O'] |
mp-768493 | LiMn3(PO4)3 | 4 | true | -0.571592 | -0.215696 | -0.685803 | false | -0.232745 | 1.336176 | ['Li', 'Mn', 'O', 'P'] |
mp-768571 | LiMn3(PO4)3 | 4 | true | -0.571294 | -0.215618 | -0.698262 | false | -0.231833 | 1.335146 | ['Li', 'Mn', 'O', 'P'] |
mp-769511 | NaLiV2O6 | 4 | false | -0.453726 | -0.063741 | 1.236406 | true | -0.648922 | 0.333371 | ['Li', 'Na', 'O', 'V'] |
mp-769572 | LiAlVO4 | 4 | false | -0.856662 | -0.118438 | 0.109176 | true | -0.215923 | 0.011357 | ['Al', 'Li', 'O', 'V'] |
mp-769573 | LiTiVO4 | 4 | false | -0.99953 | -0.328129 | 0.150682 | true | -0.072926 | 0.103031 | ['Li', 'O', 'Ti', 'V'] |
mp-769499 | LiLa8V8O32 | 4 | false | -1.256681 | -0.405669 | -0.071947 | false | 0.718108 | 0.787458 | ['La', 'Li', 'O', 'V'] |
mp-769589 | LiV3CrO8 | 4 | false | -0.442918 | -0.32781 | -0.0559 | false | -0.037925 | -0.356011 | ['Cr', 'Li', 'O', 'V'] |
mp-771819 | LiFe(SO4)2 | 4 | true | 0.02672 | 0.137634 | 0.524372 | true | -0.663454 | 0.09109 | ['Fe', 'Li', 'O', 'S'] |
mp-771941 | LiV(SO4)2 | 4 | false | -0.18076 | 0.068073 | 0.396807 | true | -0.72401 | 0.109745 | ['Li', 'O', 'S', 'V'] |
mp-772138 | LiFePO4 | 4 | true | -0.500849 | -0.068372 | 1.453416 | true | -0.934109 | 0.047174 | ['Fe', 'Li', 'O', 'P'] |
mp-772428 | LiV(SO4)3 | 4 | false | 0.072996 | 0.145099 | 0.029414 | true | -0.901763 | 0.143279 | ['Li', 'O', 'S', 'V'] |
mp-772524 | LiTi2(PO4)3 | 4 | false | -1.120151 | -0.260945 | 1.004365 | true | -0.649912 | 0.09943 | ['Li', 'O', 'P', 'Ti'] |
mp-772502 | LiFe(SiO3)2 | 4 | true | -0.822206 | -0.155439 | 0.89278 | true | -0.336144 | 1.300632 | ['Fe', 'Li', 'O', 'Si'] |
mp-773112 | LiMn(SO4)2 | 4 | true | -0.017098 | 0.109346 | -0.472653 | false | -0.687325 | 0.103716 | ['Li', 'Mn', 'O', 'S'] |
mp-773007 | LiCu5(PO4)2 | 4 | false | 0.386536 | 0.320168 | -0.60252 | false | 0.651472 | -0.193458 | ['Cu', 'Li', 'O', 'P'] |
mp-773074 | LiZr2(PO4)3 | 4 | false | -1.282412 | -0.324764 | 2.104105 | true | -0.508547 | 0.283019 | ['Li', 'O', 'P', 'Zr'] |
mp-773136 | LiCu2PO4 | 4 | false | 0.133627 | 0.293188 | -0.363708 | false | 0.346683 | -0.209136 | ['Cu', 'Li', 'O', 'P'] |
mp-774381 | LiFe4(BO3)4 | 4 | true | -0.285933 | -0.220645 | 0.336003 | true | -0.382597 | -0.535806 | ['B', 'Fe', 'Li', 'O'] |
mp-774465 | LiMn(SO4)2 | 4 | true | -0.021999 | 0.108054 | -0.426814 | false | -0.696489 | 0.1105 | ['Li', 'Mn', 'O', 'S'] |
mp-774464 | LiCo(SO4)2 | 4 | true | 0.237366 | 0.225505 | -0.420652 | false | -0.613242 | 0.071562 | ['Co', 'Li', 'O', 'S'] |
mp-774457 | LiNb7V12O48 | 4 | false | -0.616315 | -0.412149 | 0.230241 | true | -0.223021 | 1.619748 | ['Li', 'Nb', 'O', 'V'] |
mp-774539 | LiTi2(PO4)3 | 4 | false | -1.13974 | -0.266111 | 0.904967 | true | -0.592216 | 1.356491 | ['Li', 'O', 'P', 'Ti'] |
mp-774590 | LiNi(SO4)2 | 4 | true | 0.224181 | 0.254749 | -0.868213 | false | -0.651134 | 0.09703 | ['Li', 'Ni', 'O', 'S'] |
mp-774652 | KLi(WO3)6 | 4 | false | -0.238593 | -0.419641 | -0.868213 | false | 1.721257 | -0.148358 | ['K', 'Li', 'O', 'W'] |
mp-774793 | LiLa8Cu3O16 | 4 | false | -1.202847 | -0.155241 | -0.868213 | false | 2.106367 | -0.150498 | ['Cu', 'La', 'Li', 'O'] |
mp-775238 | LiFe2(BO3)2 | 4 | true | -0.323175 | -0.179097 | 0.119874 | true | -0.341732 | 0.1606 | ['B', 'Fe', 'Li', 'O'] |
mp-774894 | Na5LiV6O18 | 4 | false | -0.442317 | -0.04976 | 1.292334 | true | -0.647344 | 1.22775 | ['Li', 'Na', 'O', 'V'] |
mp-774910 | LiSb(TeO4)3 | 4 | false | 0.476372 | 0.386998 | 0.070243 | true | 1.58113 | -0.686383 | ['Li', 'O', 'Sb', 'Te'] |
mp-774925 | RbLiMn3O4 | 4 | true | 0.114431 | -0.048393 | -0.212783 | false | 0.196736 | -0.095625 | ['Li', 'Mn', 'O', 'Rb'] |
mp-775187 | LiFe8(BO3)8 | 4 | true | -0.254908 | -0.240026 | 0.05406 | true | -0.398074 | 0.166287 | ['B', 'Fe', 'Li', 'O'] |
mp-775902 | LiV3OF11 | 4 | false | -1.091224 | 0.250666 | 0.011674 | true | -0.564621 | 0.031383 | ['F', 'Li', 'O', 'V'] |
mp-775901 | LiV3OF11 | 4 | false | -1.096201 | 0.249354 | 0.11764 | true | -0.547921 | 0.020573 | ['F', 'Li', 'O', 'V'] |
mp-775872 | LiCo3P4O15 | 4 | true | -0.187444 | -0.014281 | -0.394381 | false | -0.427972 | 2.138511 | ['Co', 'Li', 'O', 'P'] |
mp-775867 | LiSbPO5 | 4 | false | -0.391734 | 0.122772 | 0.242293 | true | 0.07189 | 1.145062 | ['Li', 'O', 'P', 'Sb'] |
mp-775904 | LiV4O5F7 | 4 | false | -0.878926 | 0.003318 | -0.444486 | false | -0.263259 | -0.632928 | ['F', 'Li', 'O', 'V'] |
mp-775943 | LiV2OF5 | 4 | false | -1.167993 | 0.11546 | 0.29856 | true | -0.267152 | -0.294532 | ['F', 'Li', 'O', 'V'] |
mp-776068 | LiVCrO4 | 4 | false | -0.4661 | -0.260299 | 0.06442 | true | 0.049024 | -0.583993 | ['Cr', 'Li', 'O', 'V'] |
mp-776089 | LiFe2OF5 | 4 | true | -0.615329 | 0.300795 | 0.428224 | true | -0.098731 | -0.321308 | ['F', 'Fe', 'Li', 'O'] |
mp-776378 | LiCuBO3 | 4 | false | -0.051188 | 0.193893 | -0.868213 | false | -0.118748 | 0.32359 | ['B', 'Cu', 'Li', 'O'] |
mp-776355 | LiV6O7F5 | 4 | false | -0.808531 | -0.210998 | 0.052029 | true | 0.184991 | -0.619449 | ['F', 'Li', 'O', 'V'] |
mp-775976 | LiNiBO3 | 4 | true | -0.185622 | 0.077153 | 0.764538 | true | -0.195515 | 0.314851 | ['B', 'Li', 'Ni', 'O'] |
mp-776292 | LiNi(SO4)2 | 4 | true | 0.224006 | 0.254703 | -0.868213 | false | -0.675816 | 0.115006 | ['Li', 'Ni', 'O', 'S'] |
mp-776417 | LiV6O7F5 | 4 | false | -0.815087 | -0.212727 | -0.160241 | false | 0.144512 | -0.610011 | ['F', 'Li', 'O', 'V'] |
mp-776469 | LiMnP2O7 | 4 | true | -0.576621 | -0.104612 | -0.592838 | false | -0.479255 | 1.74348 | ['Li', 'Mn', 'O', 'P'] |
mp-776414 | LiV4OF11 | 4 | false | -1.259689 | 0.110039 | -0.159157 | false | -0.293836 | -0.607203 | ['F', 'Li', 'O', 'V'] |
mp-776415 | LiV2OF5 | 4 | false | -1.170336 | 0.114842 | 0.191579 | true | -0.264036 | -0.295842 | ['F', 'Li', 'O', 'V'] |
mp-776385 | LiV6O7F5 | 4 | false | -0.808246 | -0.210923 | -0.198226 | false | 0.199763 | -0.622823 | ['F', 'Li', 'O', 'V'] |
mp-776420 | LiV2OF5 | 4 | false | -1.169039 | 0.115184 | -0.044525 | false | -0.281142 | -0.288607 | ['F', 'Li', 'O', 'V'] |
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