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-674422 | Li11Mn11O26 | 3 | true | 0.120045 | 0.056645 | -0.868213 | false | 0.133315 | 0.093257 | ['Li', 'Mn', 'O'] |
mp-675818 | Li11TiAs5 | 3 | false | 1.249098 | -0.055829 | -0.664339 | false | -0.554758 | -0.419326 | ['As', 'Li', 'Ti'] |
mp-676324 | Li11TiP5 | 3 | false | 1.263878 | 0.434958 | -0.620734 | false | -1.304231 | -0.495063 | ['Li', 'P', 'Ti'] |
mp-677323 | Li11TiSb5 | 3 | false | 1.42081 | -0.949152 | -0.796711 | false | -0.176664 | -0.229949 | ['Li', 'Sb', 'Ti'] |
mp-774528 | Li11Ti24O48 | 3 | false | -1.412303 | -0.39978 | -0.868213 | false | -0.076606 | 1.390459 | ['Li', 'O', 'Ti'] |
mp-760823 | Li11V4F24 | 3 | false | -1.314469 | 0.423824 | -0.868213 | false | -0.664214 | 1.321768 | ['F', 'Li', 'V'] |
mp-1178085 | Li11Fe5(OF11)2 | 4 | true | -0.956532 | 0.449784 | 0.701771 | true | -0.442917 | 0.01257 | ['F', 'Fe', 'Li', 'O'] |
mp-1178094 | Li11V6O5F19 | 4 | false | -1.115058 | 0.277963 | -0.413339 | false | -0.473069 | 0.058551 | ['F', 'Li', 'O', 'V'] |
mp-765203 | Li11Cr3Fe3O16 | 4 | true | -0.068778 | 0.161892 | -0.868213 | false | -0.130321 | -0.353641 | ['Cr', 'Fe', 'Li', 'O'] |
mp-766484 | Li11Mn12(BO3)12 | 4 | true | -0.567952 | -0.201618 | -0.868213 | false | -0.415343 | 0.970238 | ['B', 'Li', 'Mn', 'O'] |
mp-766525 | Li11Mn12(BO3)12 | 4 | true | -0.568798 | -0.201841 | -0.838691 | false | -0.393546 | 0.947484 | ['B', 'Li', 'Mn', 'O'] |
mp-766526 | Li11Mn12(BO3)12 | 4 | true | -0.569013 | -0.201898 | -0.868213 | false | -0.393488 | 0.947424 | ['B', 'Li', 'Mn', 'O'] |
mp-766660 | Li11Fe12(BO3)12 | 4 | true | -0.369899 | -0.115451 | 0.197876 | true | -0.30773 | 0.878142 | ['B', 'Fe', 'Li', 'O'] |
mp-766960 | Li11Fe12(BO3)12 | 4 | true | -0.378906 | -0.117827 | -0.178455 | false | -0.305701 | 0.876194 | ['B', 'Fe', 'Li', 'O'] |
mp-769463 | Li11Ti8Fe5O32 | 4 | true | -0.659916 | -0.111135 | -0.765023 | false | -0.172102 | 0.478434 | ['Fe', 'Li', 'O', 'Ti'] |
mp-769524 | Li11Nb4(Ni3O8)3 | 4 | true | -0.141618 | 0.097964 | -0.029223 | false | 0.808396 | 0.077184 | ['Li', 'Nb', 'Ni', 'O'] |
mp-771347 | Li11Ti4Fe9O32 | 4 | true | -0.130839 | 0.016491 | -0.868213 | false | -0.108479 | 0.475585 | ['Fe', 'Li', 'O', 'Ti'] |
mp-776317 | Li11V12(OF)24 | 4 | false | -0.727002 | 0.142753 | -0.868213 | false | -0.512517 | 1.216349 | ['F', 'Li', 'O', 'V'] |
mp-777270 | Li11V6O5F19 | 4 | false | -1.121001 | 0.276395 | -0.306223 | false | -0.484106 | 0.065618 | ['F', 'Li', 'O', 'V'] |
mp-777521 | Li11V6O5F19 | 4 | false | -1.111552 | 0.278887 | -0.461684 | false | -0.49681 | 0.073849 | ['F', 'Li', 'O', 'V'] |
mp-778354 | Li11V6O5F19 | 4 | false | -1.106772 | 0.280148 | -0.566431 | false | -0.503453 | 0.078194 | ['F', 'Li', 'O', 'V'] |
mp-779345 | Li11V6O5F19 | 4 | false | -1.116391 | 0.277611 | -0.398443 | false | -0.483746 | 0.065386 | ['F', 'Li', 'O', 'V'] |
mp-780480 | Li11V6O5F19 | 4 | false | -1.114424 | 0.27813 | -0.868213 | false | -0.471531 | 0.057572 | ['F', 'Li', 'O', 'V'] |
mp-802705 | Li11Fe12(BO3)12 | 4 | true | -0.040708 | -0.028634 | -0.792513 | false | -0.30773 | 0.878142 | ['B', 'Fe', 'Li', 'O'] |
mp-849384 | Li11V8(PO4)12 | 4 | false | -0.814563 | -0.131057 | -0.275279 | false | -0.589577 | 1.475233 | ['Li', 'O', 'P', 'V'] |
mp-849591 | Li11V6O5F19 | 4 | false | -1.125762 | 0.27514 | -0.172564 | false | -0.48912 | 0.068854 | ['F', 'Li', 'O', 'V'] |
mp-856878 | Li11V8(PO4)12 | 4 | false | 1.206203 | 0.401876 | -0.868213 | false | -0.589577 | 1.475233 | ['Li', 'O', 'P', 'V'] |
mp-884044 | Li11Mn12(BO3)12 | 4 | true | -0.247836 | -0.117194 | -0.81242 | false | -0.393488 | 0.947424 | ['B', 'Li', 'Mn', 'O'] |
mp-774644 | Li11V12(CuO4)12 | 4 | false | 0.041302 | 0.092975 | -0.868213 | false | 0.242345 | 1.348137 | ['Cu', 'Li', 'O', 'V'] |
mp-554531 | Li11La12Fe3O28 | 4 | true | -1.159024 | -0.078935 | -0.801722 | false | 1.417906 | 2.61566 | ['Fe', 'La', 'Li', 'O'] |
mp-760001 | Li11Ti12(NiO8)4 | 4 | true | -0.969455 | -0.178472 | -0.833546 | false | 0.084323 | 0.490566 | ['Li', 'Ni', 'O', 'Ti'] |
mp-775324 | Li11Co12(PO4)12 | 4 | true | -0.388482 | 0.006233 | -0.868213 | false | -0.057697 | 1.278676 | ['Co', 'Li', 'O', 'P'] |
mp-772943 | Li11U4(WO5)8 | 4 | false | -0.704852 | -0.340801 | -0.868213 | false | 1.961968 | 1.014251 | ['Li', 'O', 'U', 'W'] |
mp-760216 | Li11Ti4Mn12O32 | 4 | true | -0.448748 | -0.1575 | -0.868213 | false | 0.089026 | 0.538737 | ['Li', 'Mn', 'O', 'Ti'] |
mp-761141 | Li11V12(CoO8)4 | 4 | true | -0.306113 | -0.100282 | -0.168772 | false | 0.218043 | 0.450331 | ['Co', 'Li', 'O', 'V'] |
mp-759872 | Li11Cr3Fe3O16 | 4 | true | -0.071048 | 0.161294 | -0.868213 | false | -0.130318 | -0.353642 | ['Cr', 'Fe', 'Li', 'O'] |
mp-769470 | Li11Fe(WO4)7 | 4 | true | -0.305376 | -0.138939 | 1.03822 | true | 1.072041 | 0.434401 | ['Fe', 'Li', 'O', 'W'] |
mp-694909 | Li11Fe3B24(PbO24)2 | 5 | true | -0.748239 | -0.147697 | -0.073911 | false | -0.271763 | 1.178959 | ['B', 'Fe', 'Li', 'O', 'Pb'] |
mp-695286 | Li11Sc7Ti(PO4)12 | 5 | false | -0.557916 | 0.01173 | 0.837732 | true | -0.677398 | 1.526558 | ['Li', 'O', 'P', 'Sc', 'Ti'] |
mp-774552 | Li11Y14Ti14(S2O5)7 | 5 | false | -1.092912 | -0.245643 | -0.868213 | false | 0.230859 | 2.274446 | ['Li', 'O', 'S', 'Ti', 'Y'] |
mp-1212365 | Li12Ge7 | 2 | false | 1.81976 | 1.174679 | -0.868213 | false | -0.486731 | 6.271601 | ['Ge', 'Li'] |
mp-1020011 | Li14P2(N2O)3 | 4 | false | 0.725614 | 0.541334 | 1.570553 | true | -1.085698 | -0.581937 | ['Li', 'N', 'O', 'P'] |
mp-542789 | Li14Cr2N8O | 4 | false | 1.298237 | 0.515293 | 0.767652 | true | -0.991335 | -0.54229 | ['Cr', 'Li', 'N', 'O'] |
mp-1210986 | Li14Be6(BO3)9 | 4 | false | -0.847992 | 0.056751 | -0.862525 | false | -1.022278 | 1.698547 | ['B', 'Be', 'Li', 'O'] |
mp-504263 | Li14Co9(P2O7)8 | 4 | true | -0.524902 | 0.01171 | 0.583279 | true | -0.449061 | 1.906181 | ['Co', 'Li', 'O', 'P'] |
mp-540237 | Li14Ni9(P2O7)8 | 4 | true | -0.531267 | 0.04723 | 1.795282 | true | -0.424417 | 1.865689 | ['Li', 'Ni', 'O', 'P'] |
mp-705402 | Li14Mn9(P2O7)8 | 4 | true | -0.716352 | -0.094542 | 1.690332 | true | -0.59763 | 2.090227 | ['Li', 'Mn', 'O', 'P'] |
mp-759443 | Li14Cr9(P2O7)8 | 4 | false | -0.677385 | -0.097763 | 0.968344 | true | -0.613392 | 2.073094 | ['Cr', 'Li', 'O', 'P'] |
mp-762439 | Li14Cu9(P2O7)8 | 4 | false | -0.395299 | 0.129293 | -0.601369 | false | -0.386029 | 1.87556 | ['Cu', 'Li', 'O', 'P'] |
mp-765044 | Li14V9(P2O7)8 | 4 | false | -0.726446 | -0.095057 | 0.844909 | true | -0.602158 | 2.037618 | ['Li', 'O', 'P', 'V'] |
mp-769537 | Li14MgCo13O28 | 4 | true | 0.205349 | 0.2477 | -0.868213 | false | 0.702583 | 0.095938 | ['Co', 'Li', 'Mg', 'O'] |
mp-863364 | Li14Sn9(P2O7)8 | 4 | false | -0.555958 | 0.089387 | 1.14879 | true | -0.368091 | 2.593384 | ['Li', 'O', 'P', 'Sn'] |
mp-17208 | K2Li14Zr3O14 | 4 | false | -0.655735 | 0.276427 | 2.081219 | true | -0.478251 | -0.174984 | ['K', 'Li', 'O', 'Zr'] |
mp-17971 | Rb2Li14Pr3O14 | 4 | false | -0.30906 | 0.46948 | -0.868213 | false | -0.148801 | 0.005256 | ['Li', 'O', 'Pr', 'Rb'] |
mp-504810 | Rb2Li14Pb3O14 | 4 | false | 0.072421 | 0.598649 | 0.441427 | true | 0.658922 | -0.110373 | ['Li', 'O', 'Pb', 'Rb'] |
mp-504806 | K2Li14Pb3O14 | 4 | false | 0.073054 | 0.596164 | 0.498303 | true | 0.416923 | -0.118778 | ['K', 'Li', 'O', 'Pb'] |
mp-556675 | Rb2Li14Tb3O14 | 4 | false | -0.396067 | 0.450691 | -0.868213 | false | 0.150634 | -0.069531 | ['Li', 'O', 'Rb', 'Tb'] |
mp-8711 | Cs2Li14Tb3O14 | 4 | false | -0.392893 | 0.452804 | -0.868213 | false | 0.369706 | -0.052734 | ['Cs', 'Li', 'O', 'Tb'] |
mp-735790 | Li14Mn22Cr3Cu3O56 | 5 | true | -0.023359 | -0.085813 | -0.868213 | false | 0.256076 | 1.718418 | ['Cr', 'Cu', 'Li', 'Mn', 'O'] |
mp-1224471 | Li14Ce5Si11N19O7F2 | 6 | false | 0.159074 | 0.015016 | -0.868213 | false | 0.013255 | 2.635434 | ['Ce', 'F', 'Li', 'N', 'O', 'Si'] |
mp-1223420 | Li14Nd5Si11N19O7F2 | 6 | false | 0.134292 | 0.037715 | 0.994073 | true | 0.053846 | 2.62573 | ['F', 'Li', 'N', 'Nd', 'O', 'Si'] |
mp-1197547 | Li15Pd4 | 2 | false | 1.907882 | 0.0927 | -0.868213 | false | -0.511097 | 0.463159 | ['Li', 'Pd'] |
mp-1777 | Li15Ge4 | 2 | false | 1.811209 | 1.296765 | -0.868213 | false | -1.035507 | 0.480284 | ['Ge', 'Li'] |
mp-567395 | Li15Au4 | 2 | false | 1.782593 | -1.62775 | -0.868213 | false | 0.722205 | 0.53298 | ['Au', 'Li'] |
mp-569849 | Li15Si4 | 2 | false | 1.930064 | 1.279103 | -0.868213 | false | -1.692181 | 0.461896 | ['Li', 'Si'] |
mp-698703 | Li15Mn21O43 | 3 | true | -0.023578 | -0.060699 | -0.868213 | false | -0.100096 | 1.353045 | ['Li', 'Mn', 'O'] |
mp-758099 | Li15(FeO6)2 | 3 | true | 0.068696 | 0.506843 | -0.855145 | false | -0.742463 | -0.497626 | ['Fe', 'Li', 'O'] |
mp-758530 | Li15Cr2O12 | 3 | false | -0.099211 | 0.438889 | -0.868213 | false | -0.736146 | -0.514193 | ['Cr', 'Li', 'O'] |
mp-758672 | Li15Mn2O12 | 3 | true | -0.057181 | 0.459799 | -0.868213 | false | -0.719896 | -0.510218 | ['Li', 'Mn', 'O'] |
mp-530846 | Li15Nb16O48 | 3 | false | -0.988614 | -0.293017 | -0.868213 | false | 0.422302 | 1.343036 | ['Li', 'Nb', 'O'] |
mp-1245780 | Li15W7N19 | 3 | false | 1.317861 | -2.139107 | 0.203631 | true | 0.860469 | 1.917238 | ['Li', 'N', 'W'] |
mp-530262 | Li15Cr2N9 | 3 | false | 1.328328 | 0.516625 | 0.03605 | true | -0.941213 | 1.496806 | ['Cr', 'Li', 'N'] |
mp-1201065 | Li15H9N8 | 3 | false | 1.535913 | 0.8023 | 0.957713 | true | -1.5109 | 0.209612 | ['H', 'Li', 'N'] |
mp-766829 | Li15(FeO4)4 | 3 | true | 0.192547 | 0.415006 | -0.868213 | false | -0.885428 | 1.06755 | ['Fe', 'Li', 'O'] |
mp-705910 | Li15(NiO2)14 | 3 | true | 0.555439 | 0.422341 | -0.868213 | false | 0.544438 | 0.205177 | ['Li', 'Ni', 'O'] |
mp-1178074 | Li15Fe15SiO32 | 4 | true | 0.058893 | 0.08308 | 0.422198 | true | -0.34226 | 0.955771 | ['Fe', 'Li', 'O', 'Si'] |
mp-1178192 | Li15V6(P8O29)2 | 4 | false | -0.80005 | -0.067291 | -0.14135 | false | -0.761159 | 2.126581 | ['Li', 'O', 'P', 'V'] |
mp-1178182 | Li15Ni8(PO4)12 | 4 | true | -0.404103 | 0.113014 | -0.868213 | false | -0.515265 | 1.518556 | ['Li', 'Ni', 'O', 'P'] |
mp-25257 | Li15Bi4(PdO10)2 | 4 | false | 0.192401 | 0.50312 | -0.843905 | false | 1.038475 | 0.093758 | ['Bi', 'Li', 'O', 'Pd'] |
mp-774800 | Li15Zr7(Cu3O14)2 | 4 | false | -0.577191 | 0.082911 | -0.832124 | false | 0.579997 | 0.394329 | ['Cu', 'Li', 'O', 'Zr'] |
mp-861689 | Li15Cr15SiO32 | 4 | false | -0.447976 | -0.132322 | 0.241548 | true | 0.216321 | 0.438168 | ['Cr', 'Li', 'O', 'Si'] |
mp-867892 | Li15Mn15SiO32 | 4 | true | -0.227916 | -0.040364 | -0.719522 | false | 0.226233 | 0.483849 | ['Li', 'Mn', 'O', 'Si'] |
mp-767393 | Li15Ti11Nb5O42 | 4 | false | -1.190764 | -0.261019 | 0.67076 | true | 0.077251 | 0.953798 | ['Li', 'Nb', 'O', 'Ti'] |
mp-1101663 | NaLi15V16O48 | 4 | false | -0.472015 | -0.082964 | 1.194426 | true | -0.618811 | 1.664167 | ['Li', 'Na', 'O', 'V'] |
mp-759732 | Li15Mn8P8(O4F)8 | 5 | true | -0.806878 | 0.022748 | -0.719049 | false | -0.439347 | 1.017641 | ['F', 'Li', 'Mn', 'O', 'P'] |
mp-543091 | Li16(CoO4)3 | 3 | true | 0.068489 | 0.51492 | -0.868213 | false | -0.734722 | 0.496969 | ['Co', 'Li', 'O'] |
mp-757339 | Li16Fe4SiO16 | 4 | true | -0.10585 | 0.342285 | 0.620993 | true | -0.725676 | -0.12556 | ['Fe', 'Li', 'O', 'Si'] |
mp-760337 | Li16Mn15(CuO12)3 | 4 | true | -0.005394 | 0.051788 | -0.622698 | false | 0.091344 | 0.861219 | ['Cu', 'Li', 'Mn', 'O'] |
mp-774850 | Li16V3Ga13O32 | 4 | false | -0.435344 | 0.265643 | 0.315352 | true | 0.053282 | 0.868011 | ['Ga', 'Li', 'O', 'V'] |
mp-14871 | Li16Ta2N8O | 4 | false | 1.008844 | 0.451537 | 1.435066 | true | 0.001422 | -0.470158 | ['Li', 'N', 'O', 'Ta'] |
mp-6031 | Li16Nb2N8O | 4 | false | 1.061106 | 0.503267 | 1.422337 | true | -0.73748 | -0.468701 | ['Li', 'N', 'Nb', 'O'] |
mp-849382 | Li16Mn15Fe(PO4)16 | 5 | true | -0.712944 | -0.151198 | 1.476775 | true | -0.2753 | 2.367305 | ['Fe', 'Li', 'Mn', 'O', 'P'] |
mp-573471 | Li17Sn4 | 2 | false | 1.785751 | 1.339743 | -0.868213 | false | -0.778376 | 4.25623 | ['Li', 'Sn'] |
mp-574275 | Li17Pb4 | 2 | false | 1.855524 | 1.374555 | -0.868213 | false | 0.138406 | 4.498153 | ['Li', 'Pb'] |
mp-1172980 | Li17(CoO4)3 | 3 | true | 0.056937 | 0.527124 | -0.634682 | false | -0.740053 | 0.527372 | ['Co', 'Li', 'O'] |
mp-33334 | Li17(MnAs2)4 | 3 | true | 1.596279 | 0.89459 | -0.868213 | false | -0.245947 | 0.090236 | ['As', 'Li', 'Mn'] |
mp-530514 | Li17Nb18O54 | 3 | false | -0.992142 | -0.292519 | -0.868213 | false | 0.423111 | 1.665832 | ['Li', 'Nb', 'O'] |
mp-686160 | Li17Nb20O60 | 3 | false | -0.947799 | -0.300604 | -0.868213 | false | 0.384653 | 2.016844 | ['Li', 'Nb', 'O'] |
mp-754575 | Li17Cr2O12 | 3 | false | -0.112334 | 0.468965 | -0.335202 | false | -0.74694 | -0.484486 | ['Cr', 'Li', 'O'] |
mp-758913 | Li17(Co4O9)2 | 3 | true | 0.304713 | 0.414111 | -0.232893 | false | -0.458817 | 0.134789 | ['Co', 'Li', 'O'] |
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