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-761017 | Li7Fe4(PO4)6 | 4 | true | -0.55856 | -0.013197 | -0.43047 | false | -0.575293 | 0.158331 | ['Fe', 'Li', 'O', 'P'] |
mp-761154 | Li7Mn(OF)3 | 4 | true | -0.492306 | 0.515474 | 0.865967 | true | -0.960753 | -0.374083 | ['F', 'Li', 'Mn', 'O'] |
mp-761099 | Li7VO5F | 4 | false | -0.428161 | 0.408247 | 0.305331 | true | -1.00841 | -0.389375 | ['F', 'Li', 'O', 'V'] |
mp-761220 | Li7Fe8(BO3)8 | 4 | true | -0.370018 | -0.122594 | 0.169776 | true | -0.294924 | 0.1612 | ['B', 'Fe', 'Li', 'O'] |
mp-761279 | Li7Ni(O2F)2 | 4 | true | -0.173901 | 0.606654 | 0.19273 | true | -0.756102 | -0.472188 | ['F', 'Li', 'Ni', 'O'] |
mp-764775 | Li7VO5F | 4 | false | -0.403129 | 0.414848 | 0.482053 | true | -0.772829 | 0.229075 | ['F', 'Li', 'O', 'V'] |
mp-764896 | Li7Fe8(BO3)8 | 4 | true | -0.369457 | -0.122446 | -0.085218 | false | -0.313 | 0.172718 | ['B', 'Fe', 'Li', 'O'] |
mp-764844 | Li7V4O11F | 4 | false | -0.572584 | 0.050047 | 0.049253 | true | -0.190233 | -0.619266 | ['F', 'Li', 'O', 'V'] |
mp-766227 | Li7Mn(O2F)2 | 4 | true | -0.16051 | 0.540097 | 0.72425 | true | -0.81948 | -0.457717 | ['F', 'Li', 'Mn', 'O'] |
mp-766052 | Li7Mn(O2F)2 | 4 | true | -0.391049 | 0.479297 | 0.268226 | true | -0.842758 | -0.446815 | ['F', 'Li', 'Mn', 'O'] |
mp-766140 | K4Li7Mn2O8 | 4 | true | 0.1673 | 0.535642 | -0.785539 | false | -0.734443 | 0.362937 | ['K', 'Li', 'Mn', 'O'] |
mp-767467 | Li7Y7Zr9S32 | 4 | false | 0.005305 | 0.124851 | -0.045541 | false | -0.332782 | 2.473604 | ['Li', 'S', 'Y', 'Zr'] |
mp-769539 | Li7VGeO8 | 4 | false | -0.429446 | 0.287896 | 1.509818 | true | -0.718123 | -0.162825 | ['Ge', 'Li', 'O', 'V'] |
mp-769877 | Li7Nb2Fe3O16 | 4 | true | -0.057155 | 0.092191 | -0.868213 | false | -0.0368 | -0.384426 | ['Fe', 'Li', 'Nb', 'O'] |
mp-769505 | Li7Mn10Cr6O32 | 4 | true | -0.196566 | -0.207735 | -0.868213 | false | 0.210445 | 0.439196 | ['Cr', 'Li', 'Mn', 'O'] |
mp-771056 | Li7Ti5Mn12O32 | 4 | true | -0.532102 | -0.265359 | -0.868213 | false | 0.111357 | 0.548206 | ['Li', 'Mn', 'O', 'Ti'] |
mp-773078 | Li7Ca8Nb12O40 | 4 | false | -1.235686 | -0.296511 | -0.868213 | false | 0.311647 | 1.177565 | ['Ca', 'Li', 'Nb', 'O'] |
mp-775890 | Li7V6(OF)12 | 4 | false | -0.808577 | 0.147607 | -0.666574 | false | -0.423293 | 1.143381 | ['F', 'Li', 'O', 'V'] |
mp-777404 | Li7Mn8(BO3)8 | 4 | true | -0.561474 | -0.207262 | -0.588369 | false | -0.382383 | 0.207802 | ['B', 'Li', 'Mn', 'O'] |
mp-777865 | Li7Mn8(BO3)8 | 4 | true | -0.560985 | -0.207133 | -0.811878 | false | -0.394548 | 0.21612 | ['B', 'Li', 'Mn', 'O'] |
mp-778813 | Li7Mn8(BO3)8 | 4 | true | -0.56092 | -0.207116 | -0.668537 | false | -0.387427 | 0.211239 | ['B', 'Li', 'Mn', 'O'] |
mp-779028 | Li7Mn8(BO3)8 | 4 | true | -0.562029 | -0.207409 | -0.710382 | false | -0.381778 | 0.207391 | ['B', 'Li', 'Mn', 'O'] |
mp-779060 | Li7Mn8(BO3)8 | 4 | true | -0.561493 | -0.207267 | -0.685126 | false | -0.395958 | 0.217091 | ['B', 'Li', 'Mn', 'O'] |
mp-779296 | Li7Mn8(BO3)8 | 4 | true | -0.561319 | -0.207221 | -0.567853 | false | -0.382072 | 0.20759 | ['B', 'Li', 'Mn', 'O'] |
mp-779303 | Li7Mn8(BO3)8 | 4 | true | -0.561618 | -0.2073 | -0.736856 | false | -0.382258 | 0.207717 | ['B', 'Li', 'Mn', 'O'] |
mp-779356 | Li7Mn8(BO3)8 | 4 | true | -0.560728 | -0.207066 | -0.673886 | false | -0.390638 | 0.213436 | ['B', 'Li', 'Mn', 'O'] |
mp-779313 | Li7Mn8(BO3)8 | 4 | true | -0.560703 | -0.207059 | -0.599744 | false | -0.264264 | 0.131719 | ['B', 'Li', 'Mn', 'O'] |
mp-781628 | Li7Mn8(BO3)8 | 4 | true | -0.561619 | -0.2073 | -0.48633 | false | -0.376838 | 0.204041 | ['B', 'Li', 'Mn', 'O'] |
mp-799539 | Li7Ni(O2F)2 | 4 | true | 1.092239 | 0.940571 | -0.756018 | false | -0.74003 | -0.479147 | ['F', 'Li', 'Ni', 'O'] |
mp-799423 | Li7Mn(OF)3 | 4 | true | 1.279446 | 0.982735 | -0.868213 | false | -0.960753 | -0.374083 | ['F', 'Li', 'Mn', 'O'] |
mp-799536 | Li7VO5F | 4 | false | 0.350346 | 0.613561 | -0.16647 | false | -0.781416 | -0.86952 | ['F', 'Li', 'O', 'V'] |
mp-802479 | Li7Mn(O2F)2 | 4 | true | 1.024777 | 0.85269 | -0.637932 | false | -0.841296 | -0.447509 | ['F', 'Li', 'Mn', 'O'] |
mp-849470 | Li7Co(O2F)2 | 4 | true | -0.245596 | 0.559699 | -0.036941 | false | -0.809739 | -0.447107 | ['Co', 'F', 'Li', 'O'] |
mp-849679 | Li7Mn4(P2O7)4 | 4 | true | -0.721883 | -0.083086 | -0.7657 | false | -0.536119 | 1.89713 | ['Li', 'Mn', 'O', 'P'] |
mp-849710 | Li7Fe8(BO3)8 | 4 | true | -0.375547 | -0.124053 | 0.097462 | true | -0.311342 | 0.171653 | ['B', 'Fe', 'Li', 'O'] |
mp-849806 | Li7Mn4(P2O7)4 | 4 | true | -0.723628 | -0.083547 | -0.767325 | false | -0.539978 | 1.903275 | ['Li', 'Mn', 'O', 'P'] |
mp-850667 | Li7V3P8O29 | 4 | false | -0.78077 | -0.071155 | -0.379011 | false | -0.783801 | 2.157831 | ['Li', 'O', 'P', 'V'] |
mp-850710 | Li7V3P8O29 | 4 | false | -0.774771 | -0.069573 | -0.740106 | false | -0.777833 | 2.146125 | ['Li', 'O', 'P', 'V'] |
mp-850795 | Li7Fe(O2F)2 | 4 | true | -0.323017 | 0.51158 | 0.918509 | true | -0.845905 | -0.441819 | ['F', 'Fe', 'Li', 'O'] |
mp-850007 | Li7V16(PO4)24 | 4 | false | -0.719434 | -0.200492 | -0.304056 | false | -0.503036 | 3.788009 | ['Li', 'O', 'P', 'V'] |
mp-850023 | Li7Fe5OF15 | 4 | true | -0.713408 | 0.424537 | 1.171608 | true | -0.824866 | 1.15722 | ['F', 'Fe', 'Li', 'O'] |
mp-861543 | Li7V(O2F)2 | 4 | false | 1.177453 | 0.894574 | -0.814858 | false | -0.855787 | -0.456089 | ['F', 'Li', 'O', 'V'] |
mp-867592 | Li7V(O2F)2 | 4 | false | -0.471273 | 0.459758 | 0.330045 | true | -0.852752 | 0.323106 | ['F', 'Li', 'O', 'V'] |
mp-861786 | Li7Co(O2F)2 | 4 | true | 1.033777 | 0.897106 | -0.69535 | false | -0.809739 | -0.447107 | ['Co', 'F', 'Li', 'O'] |
mp-856325 | Li7Fe(O2F)2 | 4 | true | 1.214848 | 0.917159 | -0.868213 | false | -0.845905 | -0.441819 | ['F', 'Fe', 'Li', 'O'] |
mp-1174881 | Li7Mn2(CoO4)3 | 4 | true | 0.084126 | 0.20133 | -0.18096 | false | 0.217311 | -0.617749 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174892 | Li7Mn2(CoO4)3 | 4 | true | 0.152598 | 0.219388 | -0.868213 | false | 0.218513 | -0.618022 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174866 | Li7Mn2(CoO4)3 | 4 | true | 0.1652 | 0.222712 | -0.868213 | false | 0.197391 | -0.613183 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174874 | Li7Mn2(CoO4)3 | 4 | true | 0.07248 | 0.198259 | -0.356396 | false | 0.241419 | -0.623187 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174914 | Li7Mn2(CoO4)3 | 4 | true | 0.170471 | 0.224102 | -0.868213 | false | 0.201405 | -0.614108 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174903 | Li7Mn2(CoO4)3 | 4 | true | 0.080931 | 0.200488 | -0.138303 | false | 0.221724 | -0.618752 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174891 | Li7Mn2(CoO4)3 | 4 | true | 0.079043 | 0.19999 | 0.040654 | true | 0.220331 | -0.618435 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174900 | Li7Mn2(CoO4)3 | 4 | true | 0.19922 | 0.231684 | -0.868213 | false | 0.197239 | -0.613148 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174917 | Li7Mn2(CoO4)3 | 4 | true | 0.164228 | 0.222455 | -0.868213 | false | 0.178599 | -0.608813 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175293 | Li7Mn4CoO12 | 4 | true | -0.049458 | 0.117051 | -0.868213 | false | 0.138077 | -0.608863 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175271 | Li7Mn4CoO12 | 4 | true | -0.07007 | 0.111615 | -0.788722 | false | 0.126288 | 0.026054 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175275 | Li7Mn4CoO12 | 4 | true | -0.107328 | 0.101789 | -0.346171 | false | 0.184616 | -0.00132 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175292 | Li7Mn4CoO12 | 4 | true | -0.070566 | 0.111484 | -0.794545 | false | 0.132303 | -0.607487 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175299 | Li7Mn4CoO12 | 4 | true | -0.015231 | 0.126077 | -0.868213 | false | 0.060602 | -0.58989 | ['Co', 'Li', 'Mn', 'O'] |
mp-754856 | Li7Y7ZrS16 | 4 | false | -0.092348 | 0.263138 | 0.309258 | true | -0.327066 | 0.636654 | ['Li', 'S', 'Y', 'Zr'] |
mp-27077 | Li7Cr4P9O32 | 4 | false | -0.729304 | -0.099013 | 1.142696 | true | -0.567742 | 2.223185 | ['Cr', 'Li', 'O', 'P'] |
mp-27081 | Li7Fe4P9O32 | 4 | true | -0.598996 | -0.038243 | 0.897587 | true | -0.592993 | 2.320352 | ['Fe', 'Li', 'O', 'P'] |
mp-27067 | Li7Mo4P9O32 | 4 | false | -0.651024 | -0.104987 | 1.356862 | true | -0.41159 | 2.503186 | ['Li', 'Mo', 'O', 'P'] |
mp-27087 | Li7V4P9O32 | 4 | false | -0.785416 | -0.101109 | 0.624311 | true | -0.62235 | 2.30902 | ['Li', 'O', 'P', 'V'] |
mp-757726 | Li7Mn4P9O32 | 4 | true | -0.633382 | -0.062757 | -0.29478 | false | -0.580285 | 2.284838 | ['Li', 'Mn', 'O', 'P'] |
mp-1174483 | Li7Mn2(CoO4)3 | 4 | true | 0.332873 | 0.266932 | -0.868213 | false | 0.207821 | -0.615582 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175162 | Li7Mn4CoO12 | 4 | true | -0.109384 | 0.101247 | -0.352807 | false | 0.177445 | -0.618084 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174502 | Li7Mn2(CoO4)3 | 4 | true | 0.175499 | 0.225428 | 0.216022 | true | 0.217786 | -0.617857 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175279 | Li7Mn4CoO12 | 4 | true | -0.077132 | 0.109753 | -0.868213 | false | 0.127371 | -0.606307 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174495 | Li7Mn2(CoO4)3 | 4 | true | 0.084627 | 0.201462 | -0.083458 | false | 0.207145 | -0.615427 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174525 | Li7Mn2(CoO4)3 | 4 | true | 0.168112 | 0.22348 | -0.868213 | false | 0.214198 | -0.61704 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175282 | Li7Mn4CoO12 | 4 | true | -0.018502 | 0.125215 | -0.756898 | false | 0.079566 | -0.594639 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174508 | Li7Mn2(CoO4)3 | 4 | true | 0.121394 | 0.211159 | -0.868213 | false | 0.241545 | -0.008281 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174509 | Li7Mn2(CoO4)3 | 4 | true | 0.328522 | 0.265785 | -0.868213 | false | 0.188344 | -0.611087 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175277 | Li7Mn4CoO12 | 4 | true | -0.073424 | 0.11073 | -0.347255 | false | 0.136124 | -0.608398 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175290 | Li7Mn4CoO12 | 4 | true | -0.07528 | 0.110241 | -0.868213 | false | 0.13234 | 0.023157 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174467 | Li7Mn2(CoO4)3 | 4 | true | 0.048054 | 0.191817 | 0.26484 | true | 0.20497 | -0.614928 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174571 | Li7Mn2(CoO4)3 | 4 | true | 0.242062 | 0.242982 | -0.868213 | false | 0.142211 | -0.600176 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174572 | Li7Mn2(CoO4)3 | 4 | true | 0.254578 | 0.246283 | -0.868213 | false | 0.113033 | -0.593077 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175281 | Li7Mn4CoO12 | 4 | true | -0.07641 | 0.109943 | -0.868213 | false | 0.130236 | -0.606993 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175361 | Li7Mn4CoO12 | 4 | true | 0.049011 | 0.14302 | -0.868213 | false | 0.007927 | -0.576324 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174501 | Li7Mn2(CoO4)3 | 4 | true | 0.08624 | 0.201888 | -0.093208 | false | 0.207368 | -0.615478 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174505 | Li7Mn2(CoO4)3 | 4 | true | 0.064868 | 0.196251 | 0.209589 | true | 0.220872 | -0.618558 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174510 | Li7Mn2(CoO4)3 | 4 | true | 0.182194 | 0.227193 | -0.868213 | false | 0.180696 | -0.609304 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174527 | Li7Mn2(CoO4)3 | 4 | true | 0.183631 | 0.227572 | -0.173376 | false | 0.215235 | -0.617276 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175278 | Li7Mn4CoO12 | 4 | true | -0.07384 | 0.110621 | -0.266748 | false | 0.126194 | -0.606025 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174493 | Li7Mn2(CoO4)3 | 4 | true | 0.079839 | 0.2002 | 0.016481 | true | 0.231957 | -0.621064 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174500 | Li7Mn2(CoO4)3 | 4 | true | 0.136317 | 0.215095 | -0.868213 | false | 0.201199 | -0.614061 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174515 | Li7Mn2(CoO4)3 | 4 | true | 0.077821 | 0.199667 | -0.087724 | false | 0.228696 | -0.620329 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174551 | Li7Mn2(CoO4)3 | 4 | true | 0.178705 | 0.226273 | -0.868213 | false | 0.192194 | -0.611981 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174578 | Li7Mn2(CoO4)3 | 4 | true | 0.124019 | 0.211851 | -0.868213 | false | 0.160112 | -0.604454 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175280 | Li7Mn4CoO12 | 4 | true | -0.075585 | 0.110161 | -0.868213 | false | 0.123953 | 0.027174 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174485 | Li7Mn2(CoO4)3 | 4 | true | 0.082529 | 0.200909 | -0.233096 | false | 0.206796 | -0.615347 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174526 | Li7Mn2(CoO4)3 | 4 | true | 0.166593 | 0.223079 | -0.868213 | false | 0.184212 | -0.610125 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175268 | Li7Mn4CoO12 | 4 | true | -0.106015 | 0.102135 | -0.401355 | false | 0.151417 | 0.014113 | ['Co', 'Li', 'Mn', 'O'] |
mp-1176994 | Li7V3(SiO6)2 | 4 | false | -0.702658 | 0.013441 | 0.251976 | true | -0.105065 | -0.038281 | ['Li', 'O', 'Si', 'V'] |
mp-1639391 | Li7Mn4CoO12 | 4 | true | -0.105462 | 0.102281 | -0.361203 | false | 0.153239 | 0.013256 | ['Co', 'Li', 'Mn', 'O'] |
mp-1639755 | Li7Mn4CoO12 | 4 | true | -0.073678 | 0.110663 | -0.625812 | false | 0.13734 | 0.020774 | ['Co', 'Li', 'Mn', 'O'] |
mp-1640528 | Li7Mn4CoO12 | 4 | true | -0.074437 | 0.110463 | -0.648292 | false | 0.163461 | 0.00847 | ['Co', 'Li', 'Mn', 'O'] |
mp-1642922 | Li7Mn4CoO12 | 4 | true | -0.102131 | 0.10316 | -0.847494 | false | 0.171466 | 0.004747 | ['Co', 'Li', 'Mn', 'O'] |
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