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-560555 | Li8Bi2PdO10 | 4 | false | 0.143294 | 0.502848 | -0.232284 | false | 1.090727 | -0.578769 | ['Bi', 'Li', 'O', 'Pd'] |
mp-775158 | Li8Mn13Cr3O32 | 4 | true | -0.169178 | -0.172509 | -0.793732 | false | 0.194592 | 0.46774 | ['Cr', 'Li', 'Mn', 'O'] |
mp-772622 | Li8Ti6Mn7O30 | 4 | true | -0.580827 | -0.180184 | -0.249956 | false | 0.097531 | 0.247684 | ['Li', 'Mn', 'O', 'Ti'] |
mp-772997 | Li8Ti7Nb6O30 | 4 | false | -1.116327 | -0.346267 | -0.868213 | false | 0.275632 | 0.406951 | ['Li', 'Nb', 'O', 'Ti'] |
mp-772976 | Li8Mn15NiO32 | 4 | true | -0.065136 | -0.119915 | -0.484773 | false | 0.231403 | 0.459553 | ['Li', 'Mn', 'Ni', 'O'] |
mp-1201314 | Li8Be6P7O29 | 4 | false | -0.848688 | 0.043464 | -0.739971 | false | -0.923321 | 1.959825 | ['Be', 'Li', 'O', 'P'] |
mp-567643 | Ba12Na15Li8N6 | 4 | false | 1.877636 | 1.266433 | -0.868213 | false | -0.888095 | 2.981854 | ['Ba', 'Li', 'N', 'Na'] |
mp-764727 | Li8NiO5F | 4 | true | -0.057598 | 0.600795 | 0.541096 | true | -0.852849 | -0.412175 | ['F', 'Li', 'Ni', 'O'] |
mp-776549 | Li8FeO5F | 4 | true | -0.212518 | 0.507907 | 1.16003 | true | -0.955684 | -0.369262 | ['F', 'Fe', 'Li', 'O'] |
mp-859132 | Li8VO5F | 4 | false | -0.328514 | 0.465441 | 0.490923 | true | -0.996768 | -0.366461 | ['F', 'Li', 'O', 'V'] |
mp-1176816 | Li8Ni(O2F)2 | 4 | true | -0.211329 | 0.618941 | 1.317793 | true | -0.727266 | 0.318968 | ['F', 'Li', 'Ni', 'O'] |
mp-1176841 | Li8Fe(O2F)2 | 4 | true | -0.272636 | 0.550742 | 1.461879 | true | -0.859596 | 0.421727 | ['F', 'Fe', 'Li', 'O'] |
mp-752873 | Li8Fe(O2F)2 | 4 | true | -0.28304 | 0.547998 | 1.178514 | true | -0.966327 | 0.536558 | ['F', 'Fe', 'Li', 'O'] |
mp-753488 | Li8Ni(O2F)2 | 4 | true | -0.183679 | 0.626233 | 1.289626 | true | -0.7515 | -0.843503 | ['F', 'Li', 'Ni', 'O'] |
mp-754201 | Li8Nb(FeO4)3 | 4 | true | -0.109115 | 0.178221 | -0.839098 | false | 0.141451 | -0.623344 | ['Fe', 'Li', 'Nb', 'O'] |
mp-757784 | Li8V3P8O29 | 4 | false | -0.804445 | -0.059688 | -0.237836 | false | -0.752751 | 2.12315 | ['Li', 'O', 'P', 'V'] |
mp-759197 | Li8FeNi9O20 | 4 | true | 0.610425 | 0.365659 | -0.868213 | false | 0.619251 | -0.254097 | ['Fe', 'Li', 'Ni', 'O'] |
mp-759827 | Li8Co(O2F)2 | 4 | true | -0.229666 | 0.587928 | 0.818096 | true | -0.776847 | 0.365312 | ['Co', 'F', 'Li', 'O'] |
mp-761013 | Li8MnNi7O16 | 4 | true | 0.413165 | 0.341494 | -0.800029 | false | 0.574249 | -0.4294 | ['Li', 'Mn', 'Ni', 'O'] |
mp-761056 | Li8Co(O2F)2 | 4 | true | -0.185436 | 0.599593 | 0.83069 | true | -0.752789 | -0.4474 | ['Co', 'F', 'Li', 'O'] |
mp-763440 | Li8Mn(O2F)2 | 4 | true | -0.337545 | 0.520238 | 1.007954 | true | -0.86319 | -0.409935 | ['F', 'Li', 'Mn', 'O'] |
mp-764500 | Li8Fe(O2F)2 | 4 | true | -0.277331 | 0.549503 | 1.220291 | true | -0.88487 | -0.395297 | ['F', 'Fe', 'Li', 'O'] |
mp-764865 | Li8FeCo9O20 | 4 | true | 0.355545 | 0.205443 | -0.76807 | false | 0.6993 | -0.276491 | ['Co', 'Fe', 'Li', 'O'] |
mp-771651 | Li8Mn13Fe3O32 | 4 | true | -0.05224 | -0.123281 | -0.610916 | false | 0.192769 | 0.4826 | ['Fe', 'Li', 'Mn', 'O'] |
mp-780086 | Li8Mn(O2F)2 | 4 | true | -0.333429 | 0.521323 | 0.970578 | true | -0.84839 | 0.403518 | ['F', 'Li', 'Mn', 'O'] |
mp-861293 | Li8Ni(O2F)2 | 4 | true | -0.17344 | 0.628933 | 1.168493 | true | -0.651618 | -0.491298 | ['F', 'Li', 'Ni', 'O'] |
mp-753875 | Li8Cr3SbO12 | 4 | false | -0.226389 | 0.176588 | -0.421329 | false | 0.185062 | -0.612688 | ['Cr', 'Li', 'O', 'Sb'] |
mp-766973 | Li8Mn(FeO4)3 | 4 | true | 0.102493 | 0.245384 | -0.868213 | false | -0.046913 | -0.62578 | ['Fe', 'Li', 'Mn', 'O'] |
mp-767679 | Li8TiMn3O12 | 4 | true | -0.350867 | 0.116034 | 0.056159 | true | -0.057246 | -0.033874 | ['Li', 'Mn', 'O', 'Ti'] |
mp-767678 | Li8Cr3TeO12 | 4 | false | -0.192611 | 0.197413 | -0.199377 | false | 0.168573 | -0.60184 | ['Cr', 'Li', 'O', 'Te'] |
mp-767681 | Li8Cr(FeO4)3 | 4 | true | 0.088271 | 0.235697 | -0.868213 | false | -0.056099 | -0.627335 | ['Cr', 'Fe', 'Li', 'O'] |
mp-849393 | Li8Fe7(PO4)8 | 4 | true | -0.324607 | -0.004028 | -0.698329 | false | -0.277563 | 2.229953 | ['Fe', 'Li', 'O', 'P'] |
mp-759890 | Li8Fe(O2F)2 | 4 | true | -0.256895 | 0.554893 | 1.216229 | true | -0.96331 | -0.352527 | ['F', 'Fe', 'Li', 'O'] |
mp-760331 | Li8Co(O2F)2 | 4 | true | -0.223008 | 0.589684 | 0.662838 | true | -0.897944 | -0.376159 | ['Co', 'F', 'Li', 'O'] |
mp-763831 | Li8Mn(O2F)2 | 4 | true | -0.316249 | 0.525854 | 0.802049 | true | -0.968925 | -0.353077 | ['F', 'Li', 'Mn', 'O'] |
mp-780787 | Li8CoO5F | 4 | true | -0.131284 | 0.555185 | 0.24859 | true | -0.896533 | -0.388846 | ['Co', 'F', 'Li', 'O'] |
mp-757891 | Li8V3P8O29 | 4 | false | -0.807402 | -0.060468 | -0.433043 | false | -0.766353 | 2.149386 | ['Li', 'O', 'P', 'V'] |
mp-1176867 | Li8CoNi9O20 | 4 | true | 0.632472 | 0.381679 | -0.868213 | false | 0.585097 | 0.758082 | ['Co', 'Li', 'Ni', 'O'] |
mp-764985 | Li8Fe3Co7O20 | 4 | true | 0.304631 | 0.171605 | -0.586202 | false | 0.549506 | -0.235873 | ['Co', 'Fe', 'Li', 'O'] |
mp-850772 | Li8CoNi9O20 | 4 | true | 0.649431 | 0.386151 | -0.868213 | false | 0.566249 | 0.770316 | ['Co', 'Li', 'Ni', 'O'] |
mp-774835 | Li8Fe7(PO4)8 | 4 | true | -0.536431 | -0.059892 | -0.847155 | false | -0.281476 | 0.498948 | ['Fe', 'Li', 'O', 'P'] |
mp-559185 | Li8Bi2(MoO4)7 | 4 | false | -0.17107 | -0.037786 | 1.141951 | true | 0.332906 | 2.358327 | ['Bi', 'Li', 'Mo', 'O'] |
mp-757283 | Li8V3P8O29 | 4 | false | -0.814478 | -0.062334 | 0.006934 | true | -0.781195 | 2.178483 | ['Li', 'O', 'P', 'V'] |
mp-758917 | Li8Mn6(FeO6)3 | 4 | true | 0.014317 | 0.01124 | -0.868213 | false | 0.143887 | 0.794994 | ['Fe', 'Li', 'Mn', 'O'] |
mp-849522 | Li8V3P8O29 | 4 | false | -0.828376 | -0.065999 | -0.175611 | false | -0.774932 | 2.166143 | ['Li', 'O', 'P', 'V'] |
mp-882371 | Li8V3P8O29 | 4 | false | -0.804887 | -0.059805 | -0.184413 | false | -0.757918 | 2.133069 | ['Li', 'O', 'P', 'V'] |
mp-1176835 | Li8Fe7P12WO48 | 5 | true | -0.53881 | -0.092289 | -0.844988 | false | -0.400989 | 1.455287 | ['Fe', 'Li', 'O', 'P', 'W'] |
mp-1176831 | Li8MnFe7(BO3)8 | 5 | true | -0.413621 | -0.117237 | 1.363294 | true | -0.34926 | 0.205366 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-1176836 | Li8MnFe7(BO3)8 | 5 | true | -0.417735 | -0.118322 | 1.365325 | true | -0.305227 | 0.176525 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-1176839 | Li8MnFe7(BO3)8 | 5 | true | -0.418024 | -0.118398 | 1.365528 | true | -0.303264 | 0.175266 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-1176803 | Li8Zr7Fe(PO4)12 | 5 | true | -1.137147 | -0.235029 | -0.868213 | false | -0.45093 | 1.707151 | ['Fe', 'Li', 'O', 'P', 'Zr'] |
mp-1176834 | Li8Fe7Te(PO4)12 | 5 | true | -0.483607 | -0.04026 | -0.847291 | false | -0.457529 | 1.441572 | ['Fe', 'Li', 'O', 'P', 'Te'] |
mp-1176833 | Li8MnFe7(BO3)8 | 5 | true | -0.412767 | -0.117012 | 1.380086 | true | -0.340691 | 0.199662 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-1176840 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.512038 | -0.159924 | 1.128545 | true | -0.380929 | 0.221379 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-1176891 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.4657 | -0.139338 | 1.203161 | true | -0.321146 | 0.184158 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-1176842 | Li8Mn7Sb(PO4)12 | 5 | true | -0.561527 | -0.083066 | -0.868213 | false | -0.458352 | 1.423581 | ['Li', 'Mn', 'O', 'P', 'Sb'] |
mp-1176950 | Li8Mn7Cu(PO4)12 | 5 | true | -0.489624 | -0.063989 | -0.804227 | false | -0.482125 | 1.362664 | ['Cu', 'Li', 'Mn', 'O', 'P'] |
mp-1176848 | Li8Mn3Cr(PO4)6 | 5 | true | -0.708763 | -0.055067 | -0.491273 | false | -0.602748 | 0.179068 | ['Cr', 'Li', 'Mn', 'O', 'P'] |
mp-1176859 | Li8MnFe7(PO4)12 | 5 | true | -0.483381 | -0.063178 | -0.868213 | false | -0.545118 | 1.442392 | ['Fe', 'Li', 'Mn', 'O', 'P'] |
mp-1176886 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.453219 | -0.136046 | 1.101867 | true | -0.324615 | 0.186417 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-1176895 | Li8Mn7Sn(PO4)12 | 5 | true | -0.566035 | -0.083799 | -0.634818 | false | -0.454422 | 1.413728 | ['Li', 'Mn', 'O', 'P', 'Sn'] |
mp-1177097 | Li8Fe7Cu(PO4)12 | 5 | true | -0.422697 | -0.027845 | -0.868213 | false | -0.551162 | 1.464771 | ['Cu', 'Fe', 'Li', 'O', 'P'] |
mp-1177305 | Li8Ti7Fe9(PO4)24 | 5 | true | -0.678333 | -0.154844 | -0.868213 | false | -0.625665 | 4.165589 | ['Fe', 'Li', 'O', 'P', 'Ti'] |
mp-758412 | Li8Mn7Co(PO4)12 | 5 | true | -0.504167 | -0.079408 | -0.854942 | false | -0.472918 | 1.343636 | ['Co', 'Li', 'Mn', 'O', 'P'] |
mp-758577 | Li8VFe7(PO4)12 | 5 | true | -0.527798 | -0.074594 | -0.868213 | false | -0.541443 | 1.43087 | ['Fe', 'Li', 'O', 'P', 'V'] |
mp-758579 | Li8MnCo7(PO4)12 | 5 | true | -0.301591 | 0.020485 | -0.868213 | false | -0.498943 | 1.415317 | ['Co', 'Li', 'Mn', 'O', 'P'] |
mp-768511 | Li8Mn3V(PO4)6 | 5 | true | -0.724962 | -0.055407 | -0.595682 | false | -0.614704 | 0.186226 | ['Li', 'Mn', 'O', 'P', 'V'] |
mp-768492 | Li8TiMn3(PO4)6 | 5 | true | -0.805352 | -0.068399 | 0.053112 | true | -0.643635 | 0.203028 | ['Li', 'Mn', 'O', 'P', 'Ti'] |
mp-768534 | Li8Mn3V(PO4)6 | 5 | true | -0.729055 | -0.056487 | -0.580921 | false | -0.619214 | 0.189625 | ['Li', 'Mn', 'O', 'P', 'V'] |
mp-768533 | Li8TiMn3(PO4)6 | 5 | true | -0.807507 | -0.068967 | -0.057322 | false | -0.625918 | 0.18947 | ['Li', 'Mn', 'O', 'P', 'Ti'] |
mp-768581 | Li8Mn3Cr(PO4)6 | 5 | true | -0.714031 | -0.056456 | -0.601234 | false | -0.603847 | 0.179885 | ['Cr', 'Li', 'Mn', 'O', 'P'] |
mp-774173 | Li8MnFe7(BO3)8 | 5 | true | -0.411613 | -0.116708 | 1.314272 | true | -0.36458 | 0.215679 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-774042 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.513855 | -0.160403 | 1.204786 | true | -0.355396 | 0.204075 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-774189 | Li8Mn7Fe(BO3)8 | 5 | true | -0.562064 | -0.181484 | 1.236745 | true | -0.380922 | 0.218639 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-774396 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.511209 | -0.159706 | -0.868213 | false | -0.393401 | 0.229982 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-774410 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.461872 | -0.138328 | -0.865369 | false | -0.3745 | 0.219709 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-774299 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.511546 | -0.159795 | 1.279943 | true | -0.398266 | 0.233366 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-775252 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.465806 | -0.139366 | 1.284954 | true | -0.334645 | 0.192988 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-775203 | Li8ScFe7(SiO3)16 | 5 | true | -0.93976 | -0.178689 | 0.993938 | true | -0.255758 | 1.19456 | ['Fe', 'Li', 'O', 'Sc', 'Si'] |
mp-774976 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.512029 | -0.159922 | -0.706116 | false | -0.386172 | 0.224983 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-775101 | Li8TiFe7(PO4)12 | 5 | true | -0.569539 | -0.081065 | -0.868213 | false | -0.562479 | 1.454644 | ['Fe', 'Li', 'O', 'P', 'Ti'] |
mp-775268 | Li8Mn7Fe(BO3)8 | 5 | true | -0.562343 | -0.181557 | 1.135925 | true | -0.37108 | 0.211933 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-775378 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.461591 | -0.138254 | 1.185963 | true | -0.379116 | 0.222868 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-775257 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.462999 | -0.138625 | 1.352867 | true | -0.378869 | 0.222698 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-776113 | Li8TiMn7(PO4)12 | 5 | true | -0.630248 | -0.115569 | -0.755747 | false | -0.516198 | 1.381891 | ['Li', 'Mn', 'O', 'P', 'Ti'] |
mp-776163 | Li8NbFe7(PO4)12 | 5 | true | -0.575952 | -0.091178 | -0.868213 | false | -0.521045 | 1.471202 | ['Fe', 'Li', 'Nb', 'O', 'P'] |
mp-776162 | Li8Mn7Ni(PO4)12 | 5 | true | -0.504339 | -0.074287 | -0.868213 | false | -0.48841 | 1.363049 | ['Li', 'Mn', 'Ni', 'O', 'P'] |
mp-776668 | Li8Mn7Fe(PO4)12 | 5 | true | -0.536451 | -0.093025 | -0.868213 | false | -0.494915 | 1.366913 | ['Fe', 'Li', 'Mn', 'O', 'P'] |
mp-777316 | Li8MnNi7(PO4)12 | 5 | true | -0.232081 | 0.074982 | -0.868213 | false | -0.563497 | 1.50059 | ['Li', 'Mn', 'Ni', 'O', 'P'] |
mp-776746 | Li8Fe7Sb(PO4)12 | 5 | true | -0.507843 | -0.050415 | -0.868213 | false | -0.476982 | 1.458005 | ['Fe', 'Li', 'O', 'P', 'Sb'] |
mp-777357 | Li8Mn7Fe(BO3)8 | 5 | true | -0.561321 | -0.181288 | 1.197947 | true | -0.417534 | 0.244139 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-776829 | Li8Mn7Cr(PO4)12 | 5 | true | -0.559142 | -0.103526 | -0.868213 | false | -0.501455 | 1.369249 | ['Cr', 'Li', 'Mn', 'O', 'P'] |
mp-777583 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.450043 | -0.135209 | 1.347518 | true | -0.377561 | 0.221802 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777579 | Li8Fe7Sn(PO4)12 | 5 | true | -0.504895 | -0.049181 | -0.868213 | false | -0.492613 | 1.474052 | ['Fe', 'Li', 'O', 'P', 'Sn'] |
mp-777727 | Li8Mn7Fe(BO3)8 | 5 | true | -0.562063 | -0.181483 | 1.264506 | true | -0.375406 | 0.214873 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777649 | Li8Mn7Fe(BO3)8 | 5 | true | -0.561273 | -0.181275 | 1.278928 | true | -0.423268 | 0.248214 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777438 | Li8MnFe7(BO3)8 | 5 | true | -0.414608 | -0.117498 | 1.321043 | true | -0.316904 | 0.184061 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777729 | Li8Mn7Fe(BO3)8 | 5 | true | -0.562205 | -0.181521 | 1.139514 | true | -0.371924 | 0.212506 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777765 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.51361 | -0.160339 | 1.218599 | true | -0.343468 | 0.196131 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777795 | Li8Mn7Fe(BO3)8 | 5 | true | -0.561328 | -0.18129 | 1.086362 | true | -0.282031 | 0.153952 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
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