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-754024 | LiTi2V3O10 | 4 | false | -0.918165 | -0.415829 | 0.116692 | true | -0.087081 | -0.137476 | ['Li', 'O', 'Ti', 'V'] |
mp-754127 | LiCo2(PO4)2 | 4 | true | -0.257626 | -0.015423 | -0.452679 | false | -0.564733 | -0.199524 | ['Co', 'Li', 'O', 'P'] |
mp-754332 | LiFe7(OF3)3 | 4 | true | -0.307202 | 0.104668 | 0.692359 | true | 0.312746 | -0.536885 | ['F', 'Fe', 'Li', 'O'] |
mp-753681 | LiV2OF5 | 4 | false | -1.183321 | 0.111418 | 0.29707 | true | -0.093743 | -0.362278 | ['F', 'Li', 'O', 'V'] |
mp-753705 | LiMn3(O2F)2 | 4 | true | -0.317498 | -0.083182 | -0.527769 | false | 0.265896 | -0.921679 | ['F', 'Li', 'Mn', 'O'] |
mp-753789 | LiFe2(PO4)2 | 4 | true | -0.389517 | -0.10987 | 0.434995 | true | -0.525366 | -0.73913 | ['Fe', 'Li', 'O', 'P'] |
mp-753855 | LiCr2(CO3)4 | 4 | false | 0.099208 | -0.229495 | -0.413746 | false | -0.883565 | -0.5455 | ['C', 'Cr', 'Li', 'O'] |
mp-754452 | LiV6O7F5 | 4 | false | -0.812698 | -0.212097 | -0.166605 | false | 0.185182 | -0.619493 | ['F', 'Li', 'O', 'V'] |
mp-755130 | LiV4O5F7 | 4 | false | -0.906518 | -0.003959 | 0.134229 | true | -0.247493 | -0.637147 | ['F', 'Li', 'O', 'V'] |
mp-755196 | LiV4O5F7 | 4 | false | -0.882121 | 0.002476 | -0.22443 | false | -0.24743 | -0.637164 | ['F', 'Li', 'O', 'V'] |
mp-754849 | LiV4O5F7 | 4 | false | -0.91178 | -0.005346 | -0.283134 | false | -0.256388 | -0.634774 | ['F', 'Li', 'O', 'V'] |
mp-755088 | LiV6O7F5 | 4 | false | -0.81943 | -0.213873 | 0.029346 | true | 0.17486 | -0.617113 | ['F', 'Li', 'O', 'V'] |
mp-754467 | LiV2(OF)3 | 4 | false | -0.825233 | 0.010225 | -0.160512 | false | -0.230434 | -0.937123 | ['F', 'Li', 'O', 'V'] |
mp-754519 | LiNb(TeO4)3 | 4 | false | 0.196481 | 0.21125 | 0.182099 | true | 1.116603 | -0.64122 | ['Li', 'Nb', 'O', 'Te'] |
mp-754565 | LiFe6O7F5 | 4 | true | -0.080611 | 0.037223 | 0.351847 | true | 0.461524 | -0.64527 | ['F', 'Fe', 'Li', 'O'] |
mp-755366 | LiCu2PO4 | 4 | false | 0.147201 | 0.296768 | -0.420517 | false | 0.352594 | -0.724706 | ['Cu', 'Li', 'O', 'P'] |
mp-756358 | LiFe2O2F3 | 4 | true | -0.37601 | 0.18882 | 0.430594 | true | 0.017965 | -0.710998 | ['F', 'Fe', 'Li', 'O'] |
mp-755707 | K3LiTi7O16 | 4 | false | -1.396403 | -0.331179 | 1.111753 | true | -0.346913 | -0.17686 | ['K', 'Li', 'O', 'Ti'] |
mp-755868 | LiCu5(PO4)2 | 4 | false | 0.37928 | 0.318255 | -0.539618 | false | 0.672045 | -0.719181 | ['Cu', 'Li', 'O', 'P'] |
mp-756022 | LiV6O7F5 | 4 | false | -0.805977 | -0.210325 | -0.209059 | false | 0.155733 | -0.612656 | ['F', 'Li', 'O', 'V'] |
mp-756353 | LiFe3(OF3)2 | 4 | true | -0.44076 | 0.245046 | 0.719782 | true | -0.261348 | -0.780772 | ['F', 'Fe', 'Li', 'O'] |
mp-756059 | LiMn4(BO3)4 | 4 | true | -0.446136 | -0.301139 | -0.642063 | false | -0.428093 | -0.526044 | ['B', 'Li', 'Mn', 'O'] |
mp-756912 | LiZnBO3 | 4 | false | -0.44308 | 0.227851 | 1.147436 | true | -0.230577 | -0.499485 | ['B', 'Li', 'O', 'Zn'] |
mp-757127 | LiSi3BiO8 | 4 | false | -0.899856 | -0.074724 | 1.251776 | true | 0.215682 | -0.229919 | ['Bi', 'Li', 'O', 'Si'] |
mp-757168 | LiP4WO13 | 4 | false | -0.599792 | -0.159538 | 0.563914 | true | -0.489456 | 0.422289 | ['Li', 'O', 'P', 'W'] |
mp-756975 | LiCo2OF5 | 4 | true | -0.187186 | 0.499889 | -0.291259 | false | 0.223762 | -0.407749 | ['Co', 'F', 'Li', 'O'] |
mp-757422 | LiMn(SiO3)2 | 4 | true | -0.893866 | -0.194416 | -0.362219 | false | -0.294206 | 1.242051 | ['Li', 'Mn', 'O', 'Si'] |
mp-757684 | LiFe4(BO3)4 | 4 | true | -0.282024 | -0.219614 | 0.22909 | true | -0.388011 | 0.170122 | ['B', 'Fe', 'Li', 'O'] |
mp-757800 | LiCuCO3 | 4 | false | 0.366559 | 0.180787 | 0.215209 | true | -0.122054 | 0.340263 | ['C', 'Cu', 'Li', 'O'] |
mp-757797 | LiTiP2O7 | 4 | false | -0.953503 | -0.1706 | -0.724601 | false | -0.49243 | 0.217411 | ['Li', 'O', 'P', 'Ti'] |
mp-757803 | LiTi2V3O12 | 4 | false | -0.839353 | -0.364288 | 0.716125 | true | -0.57443 | 1.729962 | ['Li', 'O', 'Ti', 'V'] |
mp-757952 | LiCo2(CO3)3 | 4 | true | 0.348698 | -0.079093 | -0.57916 | false | -0.479892 | -0.274301 | ['C', 'Co', 'Li', 'O'] |
mp-758113 | LiFe2(SiO4)2 | 4 | true | -0.398775 | -0.112751 | -0.868213 | false | -0.669107 | 0.345643 | ['Fe', 'Li', 'O', 'Si'] |
mp-758274 | LiFe4(BO3)4 | 4 | true | -0.278428 | -0.218665 | 0.142963 | true | -0.408031 | 0.183541 | ['B', 'Fe', 'Li', 'O'] |
mp-758505 | LiCu3(CO3)3 | 4 | false | 0.56761 | 0.121214 | -0.868213 | false | -0.266121 | 0.38208 | ['C', 'Cu', 'Li', 'O'] |
mp-758492 | LiSb3(PO5)2 | 4 | false | -0.282646 | 0.111282 | 1.133623 | true | 0.53936 | -0.61288 | ['Li', 'O', 'P', 'Sb'] |
mp-758620 | LiCu2(CO3)3 | 4 | false | 0.527561 | 0.085461 | -0.868213 | false | -0.516121 | -0.22708 | ['C', 'Cu', 'Li', 'O'] |
mp-758383 | LiCu3(CO3)3 | 4 | false | 0.586021 | 0.126069 | -0.868213 | false | -0.177609 | 0.32057 | ['C', 'Cu', 'Li', 'O'] |
mp-758661 | LiFe3OF5 | 4 | true | -0.465656 | 0.20208 | 0.980057 | true | 0.106385 | -0.537862 | ['F', 'Fe', 'Li', 'O'] |
mp-758869 | LiV2(PO4)3 | 4 | false | -0.731419 | -0.196738 | -0.047369 | false | -0.555564 | 1.348202 | ['Li', 'O', 'P', 'V'] |
mp-758691 | LiFe2(BO3)2 | 4 | true | -0.320176 | -0.178306 | 0.165984 | true | -0.348631 | 0.165066 | ['B', 'Fe', 'Li', 'O'] |
mp-758705 | LiFe2(BO3)2 | 4 | true | -0.304123 | -0.174073 | -0.323286 | false | -0.342524 | 0.161111 | ['B', 'Fe', 'Li', 'O'] |
mp-758730 | LiFe2(BO3)2 | 4 | true | -0.321825 | -0.178741 | 0.146958 | true | -0.344647 | 0.162484 | ['B', 'Fe', 'Li', 'O'] |
mp-758855 | LiZnBO3 | 4 | false | -0.467193 | 0.221491 | 1.539542 | true | -0.204228 | 0.222291 | ['B', 'Li', 'O', 'Zn'] |
mp-759018 | LiMn2(PO4)3 | 4 | true | -0.40609 | -0.113458 | -0.586541 | false | -0.419881 | 1.229329 | ['Li', 'Mn', 'O', 'P'] |
mp-759000 | LiFe4(PO4)3 | 4 | true | -0.350433 | -0.169946 | 1.240198 | true | -0.136484 | 0.155168 | ['Fe', 'Li', 'O', 'P'] |
mp-759049 | LiMn3(O2F)2 | 4 | true | -0.33272 | -0.087197 | -0.862254 | false | 0.274194 | -0.922622 | ['F', 'Li', 'Mn', 'O'] |
mp-759371 | LiFe2(BO3)2 | 4 | true | -0.314939 | -0.176925 | 0.168083 | true | -0.346285 | 0.163544 | ['B', 'Fe', 'Li', 'O'] |
mp-759375 | LiMn2(BO3)2 | 4 | true | -0.500811 | -0.26245 | -0.379281 | false | -0.418653 | -0.518608 | ['B', 'Li', 'Mn', 'O'] |
mp-759207 | LiSb(TeO4)3 | 4 | false | 0.476717 | 0.387089 | 0.07979 | true | 1.361087 | -0.655012 | ['Li', 'O', 'Sb', 'Te'] |
mp-759237 | LiFe2(BO3)2 | 4 | true | -0.312112 | -0.17618 | 0.159755 | true | -0.313543 | 0.142641 | ['B', 'Fe', 'Li', 'O'] |
mp-759397 | LiFe2(BO3)2 | 4 | true | -0.323765 | -0.179253 | 0.192865 | true | -0.347258 | 0.164175 | ['B', 'Fe', 'Li', 'O'] |
mp-759474 | LiFe2(BO3)2 | 4 | true | -0.317726 | -0.17766 | 0.123327 | true | -0.348546 | 0.165011 | ['B', 'Fe', 'Li', 'O'] |
mp-759537 | LiFe2(BO3)2 | 4 | true | -0.322339 | -0.178877 | 0.228413 | true | -0.347077 | 0.164058 | ['B', 'Fe', 'Li', 'O'] |
mp-759608 | LiFe2(PO4)3 | 4 | true | -0.301435 | -0.063548 | -0.868213 | false | -0.624187 | 1.509125 | ['Fe', 'Li', 'O', 'P'] |
mp-759711 | LiCuCO3 | 4 | false | 0.393185 | 0.187809 | 0.124275 | true | -0.176432 | 0.377058 | ['C', 'Cu', 'Li', 'O'] |
mp-759785 | LiVOF2 | 4 | false | -1.018051 | 0.123109 | 0.23471 | true | -0.513196 | 0.200448 | ['F', 'Li', 'O', 'V'] |
mp-759622 | LiFe2(BO3)2 | 4 | true | -0.326872 | -0.180072 | 0.334107 | true | -0.348974 | 0.165289 | ['B', 'Fe', 'Li', 'O'] |
mp-759950 | LiFe4(BO3)4 | 4 | true | -0.276992 | -0.218287 | 0.086425 | true | -0.393138 | 0.173534 | ['B', 'Fe', 'Li', 'O'] |
mp-759895 | LiFe2(BO3)2 | 4 | true | -0.317088 | -0.177492 | 0.109582 | true | -0.34739 | 0.164261 | ['B', 'Fe', 'Li', 'O'] |
mp-760156 | LiMnOF2 | 4 | true | -0.683034 | 0.20693 | -0.291801 | false | -0.331449 | 0.127484 | ['F', 'Li', 'Mn', 'O'] |
mp-760189 | LiVOF4 | 4 | false | -0.958094 | 0.308023 | 1.173436 | true | -0.724438 | -0.160504 | ['F', 'Li', 'O', 'V'] |
mp-760227 | LiFe2(BO3)2 | 4 | true | -0.315368 | -0.177038 | 0.447386 | true | -0.340381 | 0.159728 | ['B', 'Fe', 'Li', 'O'] |
mp-760281 | LiFe2(BO3)2 | 4 | true | -0.321828 | -0.178742 | 0.275403 | true | -0.346556 | 0.16372 | ['B', 'Fe', 'Li', 'O'] |
mp-760257 | LiFe2(BO3)2 | 4 | true | -0.314247 | -0.176743 | 0.106061 | true | -0.361743 | 0.173634 | ['B', 'Fe', 'Li', 'O'] |
mp-760275 | LiFe2(BO3)2 | 4 | true | -0.318034 | -0.177741 | 0.334852 | true | -0.34609 | 0.163418 | ['B', 'Fe', 'Li', 'O'] |
mp-760248 | LiFe2(BO3)2 | 4 | true | -0.30686 | -0.174795 | -0.097 | false | -0.372256 | -0.528785 | ['B', 'Fe', 'Li', 'O'] |
mp-760284 | LiFe2(BO3)2 | 4 | true | -0.329773 | -0.180837 | 0.368572 | true | -0.351713 | 0.167071 | ['B', 'Fe', 'Li', 'O'] |
mp-760352 | LiFe2(BO3)2 | 4 | true | -0.317634 | -0.177636 | 0.187042 | true | -0.354304 | 0.168761 | ['B', 'Fe', 'Li', 'O'] |
mp-760280 | LiFe2(BO3)2 | 4 | true | -0.320606 | -0.17842 | -0.009993 | false | -0.353056 | 0.167946 | ['B', 'Fe', 'Li', 'O'] |
mp-760310 | LiFe2(BO3)2 | 4 | true | -0.313909 | -0.176654 | 0.118994 | true | -0.333584 | 0.155361 | ['B', 'Fe', 'Li', 'O'] |
mp-760399 | LiCo3OF5 | 4 | true | -0.259001 | 0.372925 | 0.819992 | true | 0.374102 | -0.910209 | ['Co', 'F', 'Li', 'O'] |
mp-760363 | LiFe2OF3 | 4 | true | -0.417342 | 0.20433 | 0.655728 | true | 0.012651 | -0.26304 | ['F', 'Fe', 'Li', 'O'] |
mp-760546 | LiCu2(CO3)2 | 4 | false | 0.487898 | 0.130899 | -0.868213 | false | -0.334218 | -0.863412 | ['C', 'Cu', 'Li', 'O'] |
mp-760801 | LiVOF2 | 4 | false | -1.012195 | 0.124654 | 0.097868 | true | -0.195509 | 0.623441 | ['F', 'Li', 'O', 'V'] |
mp-760664 | LiCu(PO3)2 | 4 | false | -0.299141 | 0.109897 | -0.181298 | false | -0.902639 | -0.325811 | ['Cu', 'Li', 'O', 'P'] |
mp-760792 | LiVOF2 | 4 | false | -1.040769 | 0.117118 | -0.138912 | false | -0.390797 | 0.117324 | ['F', 'Li', 'O', 'V'] |
mp-761104 | LiV2OF5 | 4 | false | -1.178554 | 0.112675 | 0.401749 | true | -0.28839 | -0.603055 | ['F', 'Li', 'O', 'V'] |
mp-761192 | LiFe2(BO3)2 | 4 | true | -0.326364 | -0.179938 | 0.313185 | true | -0.349875 | 0.165875 | ['B', 'Fe', 'Li', 'O'] |
mp-761195 | LiFe4(BO3)4 | 4 | true | -0.274291 | -0.217574 | 0.20011 | true | -0.384548 | 0.167827 | ['B', 'Fe', 'Li', 'O'] |
mp-761206 | LiFe8(BO3)8 | 4 | true | -0.254697 | -0.239971 | -0.014597 | false | -0.411222 | 0.175089 | ['B', 'Fe', 'Li', 'O'] |
mp-761207 | LiFe2(BO3)2 | 4 | true | -0.324331 | -0.179402 | 0.193813 | true | -0.354261 | 0.168732 | ['B', 'Fe', 'Li', 'O'] |
mp-761221 | LiFe2(BO3)2 | 4 | true | -0.320314 | -0.178343 | 0.104707 | true | -0.357591 | 0.17091 | ['B', 'Fe', 'Li', 'O'] |
mp-761224 | LiFe2(BO3)2 | 4 | true | -0.320174 | -0.178306 | 0.329097 | true | -0.341582 | 0.160503 | ['B', 'Fe', 'Li', 'O'] |
mp-761231 | LiFe2(BO3)2 | 4 | true | -0.33024 | -0.18096 | 0.270596 | true | -0.349256 | 0.165472 | ['B', 'Fe', 'Li', 'O'] |
mp-761212 | LiFe4(BO3)4 | 4 | true | -0.280258 | -0.219148 | 0.159958 | true | -0.373151 | 0.160325 | ['B', 'Fe', 'Li', 'O'] |
mp-761201 | LiFe4(BO3)4 | 4 | true | -0.283527 | -0.22001 | 0.130031 | true | -0.3986 | 0.177188 | ['B', 'Fe', 'Li', 'O'] |
mp-761225 | LiFe4(BO3)4 | 4 | true | -0.28438 | -0.220235 | 0.35178 | true | -0.389986 | 0.171435 | ['B', 'Fe', 'Li', 'O'] |
mp-761226 | LiFe2(BO3)2 | 4 | true | -0.32385 | -0.179275 | 0.266601 | true | -0.345822 | 0.163244 | ['B', 'Fe', 'Li', 'O'] |
mp-761230 | LiFe2(BO3)2 | 4 | true | -0.318208 | -0.177787 | -0.034301 | false | -0.365892 | 0.176367 | ['B', 'Fe', 'Li', 'O'] |
mp-761255 | LiFe4(BO3)4 | 4 | true | -0.275199 | -0.217814 | 0.03605 | true | -0.392256 | 0.172946 | ['B', 'Fe', 'Li', 'O'] |
mp-761280 | LiV(TeO4)3 | 4 | false | 0.396986 | 0.281493 | 0.130166 | true | 1.072908 | -0.671523 | ['Li', 'O', 'Te', 'V'] |
mp-761922 | LiNb(TeO4)3 | 4 | false | 0.200758 | 0.212378 | 0.223199 | true | 1.131665 | -0.04923 | ['Li', 'Nb', 'O', 'Te'] |
mp-761244 | LiFe2(BO3)2 | 4 | true | -0.332005 | -0.181426 | 0.295581 | true | -0.355326 | 0.169428 | ['B', 'Fe', 'Li', 'O'] |
mp-761277 | LiFe2(BO3)2 | 4 | true | -0.320121 | -0.178292 | 0.267617 | true | -0.349036 | 0.165329 | ['B', 'Fe', 'Li', 'O'] |
mp-761235 | LiFe4(BO3)4 | 4 | true | -0.281145 | -0.219382 | -0.868213 | false | -0.38496 | 0.168099 | ['B', 'Fe', 'Li', 'O'] |
mp-761256 | LiFe4(BO3)4 | 4 | true | -0.27524 | -0.217825 | 0.182505 | true | -0.365796 | 0.155526 | ['B', 'Fe', 'Li', 'O'] |
mp-761265 | LiFe4(BO3)4 | 4 | true | -0.277706 | -0.218475 | 0.143776 | true | -0.410365 | 0.185122 | ['B', 'Fe', 'Li', 'O'] |
mp-761549 | LiMnPO4 | 4 | true | -0.647312 | -0.135681 | 1.549766 | true | -0.340935 | -0.773992 | ['Li', 'Mn', 'O', 'P'] |
mp-761801 | LiV2CoO6 | 4 | true | -0.128247 | -0.145947 | -0.262482 | false | 0.384594 | -0.945742 | ['Co', 'Li', 'O', 'V'] |
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