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-777802 | Li8MnFe7(BO3)8 | 5 | true | -0.417567 | -0.118278 | 1.382456 | true | -0.316672 | 0.18391 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777788 | Li8Mn7Fe(BO3)8 | 5 | true | -0.562215 | -0.181523 | 1.238708 | true | -0.382422 | 0.219667 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777768 | Li8Mn7Fe(BO3)8 | 5 | true | -0.561322 | -0.181288 | 1.219614 | true | -0.421186 | 0.246732 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777943 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.463213 | -0.138682 | 1.34982 | true | -0.380212 | 0.22362 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777792 | Li8Mn7Fe(BO3)8 | 5 | true | -0.562045 | -0.181478 | 1.267214 | true | -0.379431 | 0.217619 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777957 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.464365 | -0.138986 | 1.262 | true | -0.338175 | 0.195315 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778045 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.463315 | -0.138709 | 1.321923 | true | -0.373389 | 0.21895 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778083 | Li8MnFe7(BO3)8 | 5 | true | -0.417363 | -0.118224 | 1.367154 | true | -0.311467 | 0.180542 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778203 | Li8MnFe7(BO3)8 | 5 | true | -0.413928 | -0.117318 | 1.347179 | true | -0.346937 | 0.203815 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778158 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.465726 | -0.139345 | -0.868213 | false | -0.338384 | 0.195453 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778135 | Li8Mn7Fe(BO3)8 | 5 | true | -0.561218 | -0.18126 | 1.203364 | true | -0.422783 | 0.247869 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778174 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.511968 | -0.159906 | 1.190093 | true | -0.401826 | 0.235852 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-777962 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.504893 | -0.15804 | 1.159962 | true | -0.354068 | 0.203186 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778205 | Li8Mn7Fe(BO3)8 | 5 | true | -0.560767 | -0.181141 | 1.190838 | true | -0.407527 | 0.237081 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778004 | Li8MnFe7(BO3)8 | 5 | true | -0.416853 | -0.11809 | 1.261797 | true | -0.320686 | 0.186518 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778297 | Li8Mn7Fe(BO3)8 | 5 | true | -0.562279 | -0.18154 | 1.15028 | true | -0.380367 | 0.218259 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778302 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.514411 | -0.16055 | 1.212437 | true | -0.349241 | 0.199965 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778272 | Li8Mn7Fe(BO3)8 | 5 | true | -0.561255 | -0.18127 | 1.182577 | true | -0.419351 | 0.245428 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778477 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.511728 | -0.159843 | 1.271683 | true | -0.40584 | 0.238665 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778495 | Li8Mn7Fe(BO3)8 | 5 | true | -0.562157 | -0.181508 | 1.234781 | true | -0.386158 | 0.222232 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778721 | Li8Mn7Fe(BO3)8 | 5 | true | -0.562121 | -0.181499 | 1.235729 | true | -0.379797 | 0.21787 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778754 | Li8MnFe7(BO3)8 | 5 | true | -0.417895 | -0.118364 | 1.392071 | true | -0.316545 | 0.183827 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778882 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.509652 | -0.159295 | -0.817837 | false | -0.393284 | 0.229901 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-779074 | Li8Mn7Fe(BO3)8 | 5 | true | -0.560884 | -0.181172 | 1.188062 | true | -0.425075 | 0.249503 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778755 | Li8MnFe7(BO3)8 | 5 | true | -0.41324 | -0.117137 | 1.248255 | true | -0.360703 | 0.213055 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-779053 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.463302 | -0.138706 | 1.197609 | true | -0.388418 | 0.229276 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-779520 | Li8Mn7Fe(BO3)8 | 5 | true | -0.561245 | -0.181268 | 1.095909 | true | -0.426323 | 0.250394 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-779765 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.503509 | -0.157675 | 1.282923 | true | -0.386355 | 0.225109 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778844 | Li8MnFe7(BO3)8 | 5 | true | -0.413326 | -0.117159 | 1.209525 | true | -0.316005 | 0.183478 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-778883 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.465699 | -0.139338 | 1.282516 | true | -0.335001 | 0.193222 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-780470 | Li8Mn3Fe5(BO3)8 | 5 | true | -0.463379 | -0.138726 | 1.335533 | true | -0.382611 | 0.225269 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-780298 | Li8Mn7Fe(BO3)8 | 5 | true | -0.562243 | -0.181531 | 1.147977 | true | -0.381734 | 0.219195 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-780440 | Li8MnFe7(BO3)8 | 5 | true | -0.414644 | -0.117507 | 1.350497 | true | -0.347775 | 0.204374 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-780292 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.50389 | -0.157776 | 1.167681 | true | -0.359468 | 0.206807 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-780436 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.511665 | -0.159826 | 1.296735 | true | -0.396894 | 0.23241 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-780716 | Li8Mn7V(PO4)12 | 5 | true | -0.583602 | -0.107804 | -0.859275 | false | -0.521042 | 1.393237 | ['Li', 'Mn', 'O', 'P', 'V'] |
mp-780785 | Li8Fe7Co(PO4)12 | 5 | true | -0.446043 | -0.045586 | -0.868213 | false | -0.54852 | 1.453581 | ['Co', 'Fe', 'Li', 'O', 'P'] |
mp-780795 | Li8CrFe7(PO4)12 | 5 | true | -0.483323 | -0.065037 | -0.868213 | false | -0.551529 | 1.446349 | ['Cr', 'Fe', 'Li', 'O', 'P'] |
mp-780717 | Li8Mn7Nb(PO4)12 | 5 | true | -0.630883 | -0.124157 | -0.743763 | false | -0.497272 | 1.429064 | ['Li', 'Mn', 'Nb', 'O', 'P'] |
mp-780776 | Li8Fe7Ni(PO4)12 | 5 | true | -0.434099 | -0.03727 | -0.868213 | false | -0.567964 | 1.480146 | ['Fe', 'Li', 'Ni', 'O', 'P'] |
mp-780940 | Li8MnFe7(BO3)8 | 5 | true | -0.352286 | -0.101062 | -0.865775 | false | -0.351446 | 0.206829 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-780799 | Li8Mn5Fe3(BO3)8 | 5 | true | -0.512048 | -0.159927 | -0.866723 | false | -0.396523 | 0.232151 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-850226 | Li8Mn7Fe(BO3)8 | 5 | true | -0.561086 | -0.181226 | 1.184337 | true | -0.414571 | 0.242043 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-850260 | Li8MnFe7(BO3)8 | 5 | true | -0.413009 | -0.117076 | 1.30723 | true | -0.359793 | 0.21244 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-850743 | Li8MnFe7(BO3)8 | 5 | true | -0.417554 | -0.118274 | 1.318673 | true | -0.312359 | 0.181118 | ['B', 'Fe', 'Li', 'Mn', 'O'] |
mp-760152 | Li8VCo3(PO4)6 | 5 | true | -0.488868 | 0.0489 | -0.860833 | false | -0.529835 | 0.144577 | ['Co', 'Li', 'O', 'P', 'V'] |
mp-759457 | Li8NbNi3(PO4)6 | 5 | true | -0.565521 | 0.049702 | -0.671923 | false | -0.473396 | 0.17124 | ['Li', 'Nb', 'Ni', 'O', 'P'] |
mp-760785 | Li8VNi3(PO4)6 | 5 | true | -0.545033 | 0.062134 | 0.206949 | true | -0.452961 | 0.091758 | ['Li', 'Ni', 'O', 'P', 'V'] |
mp-775125 | Li8Fe3Sn(PO4)6 | 5 | true | -0.527936 | 0.04595 | 0.663312 | true | -0.520113 | 0.232179 | ['Fe', 'Li', 'O', 'P', 'Sn'] |
mp-780178 | Li8TiMn3(PO4)6 | 5 | true | -0.762221 | -0.057024 | 0.226043 | true | -0.691236 | 0.240766 | ['Li', 'Mn', 'O', 'P', 'Ti'] |
mp-555626 | Na2Li8U11(WO22)2 | 5 | false | -1.326972 | -0.481879 | 0.012419 | true | 2.051977 | 1.428612 | ['Li', 'Na', 'O', 'U', 'W'] |
mp-774516 | Li8Mg3Cu9(SiO3)16 | 5 | false | -0.68528 | 0.040747 | -0.705574 | false | -0.139022 | 1.357578 | ['Cu', 'Li', 'Mg', 'O', 'Si'] |
mp-775186 | Li8Sc5Fe3(SiO3)16 | 5 | true | -1.259934 | -0.232118 | 1.11182 | true | -0.446912 | 1.3523 | ['Fe', 'Li', 'O', 'Sc', 'Si'] |
mp-861717 | Li8MnFe7(PO4)8 | 5 | true | -0.575839 | -0.091734 | 1.759396 | true | -0.198816 | 0.513084 | ['Fe', 'Li', 'Mn', 'O', 'P'] |
mp-782001 | Li8La4TiNb7O28 | 5 | false | -1.272806 | -0.321181 | -0.868213 | false | 0.792753 | 0.469276 | ['La', 'Li', 'Nb', 'O', 'Ti'] |
mp-849430 | Li8MnFe7(PO4)8 | 5 | true | -0.575734 | -0.091707 | 1.77463 | true | -0.195236 | 0.510374 | ['Fe', 'Li', 'Mn', 'O', 'P'] |
mp-568404 | Li9Al4 | 2 | false | 1.986213 | 0.982138 | -0.868213 | false | -1.627505 | -0.6181 | ['Al', 'Li'] |
mp-2362521 | Li9Ge4 | 2 | false | 1.788903 | 1.214365 | -0.868213 | false | -0.595974 | -0.054186 | ['Ge', 'Li'] |
mp-1222549 | Li9Ag4 | 2 | false | 2.027387 | -0.312558 | -0.868213 | false | -0.0745 | 0.063579 | ['Ag', 'Li'] |
mp-27932 | Li9Ge4 | 2 | false | 1.792447 | 1.2153 | -0.868213 | false | -0.54237 | -0.086455 | ['Ge', 'Li'] |
mp-1175482 | Li9Co7O16 | 3 | true | 0.342968 | 0.302853 | -0.868213 | false | 0.33372 | -0.413242 | ['Co', 'Li', 'O'] |
mp-1176824 | Li9V8F48 | 3 | false | -1.069843 | 0.445459 | -0.571712 | false | -0.767226 | 1.306973 | ['F', 'Li', 'V'] |
mp-1175376 | Li9Co7O16 | 3 | true | 0.281392 | 0.286614 | -0.087656 | false | 0.404375 | -0.433246 | ['Co', 'Li', 'O'] |
mp-531804 | Li9Mn15O32 | 3 | true | -0.093948 | -0.107456 | -0.476648 | false | 0.147903 | 0.45042 | ['Li', 'Mn', 'O'] |
mp-531942 | Li9Ni23O32 | 3 | true | 0.685143 | 0.321034 | -0.868213 | false | 1.205934 | 0.423636 | ['Li', 'Ni', 'O'] |
mp-690161 | Li9Mn20O40 | 3 | true | -0.073521 | -0.155666 | -0.529935 | false | 0.179643 | 0.910949 | ['Li', 'Mn', 'O'] |
mp-728514 | Li9Co9O17 | 3 | true | 0.439211 | 0.282633 | -0.282592 | false | 0.428526 | -0.293674 | ['Co', 'Li', 'O'] |
mp-758645 | Li9Co13O28 | 3 | true | 0.508437 | 0.231056 | -0.833681 | false | 0.564867 | 0.094121 | ['Co', 'Li', 'O'] |
mp-758732 | Li9Co13O28 | 3 | true | 0.508992 | 0.231203 | -0.860155 | false | 0.56759 | 0.092942 | ['Co', 'Li', 'O'] |
mp-769450 | Li9Mn15O32 | 3 | true | -0.096575 | -0.108149 | -0.476242 | false | 0.131394 | 0.460977 | ['Li', 'Mn', 'O'] |
mp-776279 | Li9V19O48 | 3 | false | -0.481564 | -0.219475 | -0.044796 | false | -0.296777 | 1.369579 | ['Li', 'O', 'V'] |
mp-776365 | Li9Mn21O40 | 3 | true | -0.095942 | -0.175626 | -0.620599 | false | 0.217664 | 0.945617 | ['Li', 'Mn', 'O'] |
mp-780186 | Li9Mn10O20 | 3 | true | -0.140649 | -0.044004 | -0.59514 | false | 0.188524 | -0.129993 | ['Li', 'Mn', 'O'] |
mp-780203 | Li9(FeO4)2 | 3 | true | 0.056781 | 0.428201 | -0.850541 | false | -0.830727 | -0.083071 | ['Fe', 'Li', 'O'] |
mp-851096 | Li9Cr19O48 | 3 | false | -0.000869 | -0.133986 | -0.832598 | false | -0.241584 | 1.334454 | ['Cr', 'Li', 'O'] |
mp-851274 | Li9Cr19O48 | 3 | false | 0.010855 | -0.130894 | -0.639557 | false | -0.239252 | 1.331811 | ['Cr', 'Li', 'O'] |
mp-1100481 | Li9Mn7O16 | 3 | true | -0.184738 | 0.034927 | -0.263363 | false | 0.123147 | -0.381335 | ['Li', 'Mn', 'O'] |
mp-1100581 | Li9Mn7O16 | 3 | true | -0.183818 | 0.03517 | -0.241763 | false | 0.108957 | -0.376691 | ['Li', 'Mn', 'O'] |
mp-1100477 | Li9Mn7O16 | 3 | true | -0.167176 | 0.039559 | -0.073843 | false | 0.109029 | -0.376715 | ['Li', 'Mn', 'O'] |
mp-1100476 | Li9Mn7O16 | 3 | true | -0.157054 | 0.042229 | -0.858124 | false | 0.119761 | -0.380231 | ['Li', 'Mn', 'O'] |
mp-1100483 | Li9Mn7O16 | 3 | true | -0.168547 | 0.039198 | -0.267967 | false | 0.111378 | -0.377487 | ['Li', 'Mn', 'O'] |
mp-1100482 | Li9Mn7O16 | 3 | true | -0.170648 | 0.038643 | -0.162137 | false | 0.102085 | -0.374424 | ['Li', 'Mn', 'O'] |
mp-1100580 | Li9Mn7O16 | 3 | true | -0.169361 | 0.038983 | -0.045134 | false | 0.11692 | -0.379303 | ['Li', 'Mn', 'O'] |
mp-1100479 | Li9Mn7O16 | 3 | true | -0.167316 | 0.039522 | -0.072421 | false | 0.258339 | -0.423191 | ['Li', 'Mn', 'O'] |
mp-1175463 | Li9Co7O16 | 3 | true | 0.330358 | 0.299528 | -0.868213 | false | 0.345994 | -0.416788 | ['Co', 'Li', 'O'] |
mp-1175396 | Li9Co7O16 | 3 | true | 0.315453 | 0.295597 | -0.721554 | false | 0.346895 | -0.417047 | ['Co', 'Li', 'O'] |
mp-1175392 | Li9Co7O16 | 3 | true | 0.2946 | 0.290097 | -0.538128 | false | 0.708267 | -0.509272 | ['Co', 'Li', 'O'] |
mp-1175459 | Li9Co7O16 | 3 | true | 0.323876 | 0.297818 | -0.868213 | false | 0.355127 | -0.419407 | ['Co', 'Li', 'O'] |
mp-1175506 | Li9Co7O16 | 3 | true | 0.264755 | 0.282226 | -0.851759 | false | 0.702882 | -0.50805 | ['Co', 'Li', 'O'] |
mp-1175491 | Li9Co7O16 | 3 | true | 0.368118 | 0.309486 | -0.688241 | false | 0.31163 | -0.406781 | ['Co', 'Li', 'O'] |
mp-1175394 | Li9Co7O16 | 3 | true | 0.304568 | 0.292726 | -0.352468 | false | 0.343894 | -0.416183 | ['Co', 'Li', 'O'] |
mp-1175449 | Li9Co7O16 | 3 | true | 0.313001 | 0.29495 | -0.868213 | false | 0.424388 | -0.438738 | ['Co', 'Li', 'O'] |
mp-1175450 | Li9Co7O16 | 3 | true | 0.304432 | 0.29269 | -0.286248 | false | 0.368158 | -0.423115 | ['Co', 'Li', 'O'] |
mp-1175529 | Li9Co7O16 | 3 | true | 0.31619 | 0.295791 | -0.376844 | false | 0.326462 | -0.41113 | ['Co', 'Li', 'O'] |
mp-768425 | Li9(CoO4)2 | 3 | true | 0.157775 | 0.495658 | -0.456944 | false | -0.730981 | -0.12558 | ['Co', 'Li', 'O'] |
mp-1100490 | Li9Mn7O16 | 3 | true | -0.157036 | 0.042233 | -0.860562 | false | 0.115908 | -0.378972 | ['Li', 'Mn', 'O'] |
mp-1100488 | Li9Mn7O16 | 3 | true | -0.162724 | 0.040733 | -0.868213 | false | 0.100281 | -0.373827 | ['Li', 'Mn', 'O'] |
mp-1100495 | Li9Mn7O16 | 3 | true | -0.163579 | 0.040508 | -0.867468 | false | 0.114058 | -0.378366 | ['Li', 'Mn', 'O'] |
mp-1100499 | Li9Mn7O16 | 3 | true | -0.182805 | 0.035437 | -0.213867 | false | 0.122038 | -0.380974 | ['Li', 'Mn', 'O'] |
mp-1100489 | Li9Mn7O16 | 3 | true | -0.156838 | 0.042286 | -0.868213 | false | 0.117545 | -0.379508 | ['Li', 'Mn', 'O'] |
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