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-1235641 | LiNd2O6 | 3 | false | -0.268934 | 0.141758 | -0.868213 | false | 0.664706 | -0.842503 | ['Li', 'Nd', 'O'] |
mp-1236316 | LiNd2O6 | 3 | false | 0.087433 | 0.235743 | -0.868213 | false | 0.154422 | -0.766705 | ['Li', 'Nd', 'O'] |
mp-1238813 | Li(CrS2)2 | 3 | false | 1.01222 | 0.240216 | -0.868213 | false | -0.065928 | -0.924072 | ['Cr', 'Li', 'S'] |
mp-1246778 | LiCdN | 3 | false | 2.387961 | -0.889671 | -0.868213 | false | 0.201371 | -0.606787 | ['Cd', 'Li', 'N'] |
mp-1273137 | LiV3O4 | 3 | false | -0.34391 | -0.327375 | -0.789128 | false | 0.614813 | -0.778568 | ['Li', 'O', 'V'] |
mp-1274433 | LiV3O4 | 3 | false | -0.341965 | -0.326862 | -0.856973 | false | 0.655171 | -0.78443 | ['Li', 'O', 'V'] |
mp-1273274 | LiNi3O4 | 3 | true | 0.681015 | 0.302395 | -0.800165 | false | 1.27024 | -0.818789 | ['Li', 'Ni', 'O'] |
mp-1273834 | Li(CoO2)2 | 3 | true | 0.595174 | 0.204874 | -0.477393 | false | 0.500513 | -0.835641 | ['Co', 'Li', 'O'] |
mp-1282881 | Li(CoO2)4 | 3 | true | 0.749355 | 0.173461 | -0.534743 | false | 0.433226 | -0.429858 | ['Co', 'Li', 'O'] |
mp-1285961 | Li(CoO2)3 | 3 | true | 0.687562 | 0.182391 | -0.166876 | false | 0.450187 | -0.631643 | ['Co', 'Li', 'O'] |
mp-1281785 | LiNiO2 | 3 | true | 0.549643 | 0.408151 | -0.868213 | false | 0.630846 | -0.839145 | ['Li', 'Ni', 'O'] |
mp-1287495 | LiNiO2 | 3 | true | 0.561796 | 0.411356 | -0.868213 | false | 0.674946 | -0.844671 | ['Li', 'Ni', 'O'] |
mp-1307826 | Li(CoO2)3 | 3 | true | 0.698544 | 0.185287 | -0.868213 | false | 0.460796 | -0.63381 | ['Co', 'Li', 'O'] |
mp-1305141 | Li(CoO2)4 | 3 | true | 0.793947 | 0.185221 | -0.238107 | false | 0.605677 | -0.474609 | ['Co', 'Li', 'O'] |
mp-1312332 | LiMn7O12 | 3 | true | 0.036025 | -0.271239 | -0.600218 | false | 0.663431 | -0.05808 | ['Li', 'Mn', 'O'] |
mp-1309364 | LiFe2O3 | 3 | true | 0.249122 | -0.024861 | 0.176412 | true | 0.582602 | -0.892349 | ['Fe', 'Li', 'O'] |
mp-25258 | LiNiO2 | 3 | true | 0.584268 | 0.417283 | -0.868213 | false | 0.417656 | -0.810081 | ['Li', 'Ni', 'O'] |
mp-27281 | LiH3O2 | 3 | false | 0.482344 | 0.602555 | 2.345152 | true | -1.454952 | -0.982738 | ['H', 'Li', 'O'] |
mp-2710672 | LiVF4 | 3 | false | -1.323782 | 0.287845 | 0.997188 | true | -0.255955 | -0.85692 | ['F', 'Li', 'V'] |
mp-2710677 | LiVF6 | 3 | false | -1.096378 | 0.434441 | 1.226656 | true | -0.798938 | -0.915737 | ['F', 'Li', 'V'] |
mp-2760269 | LiNi3O4 | 3 | true | 0.642958 | -0.547864 | -0.868213 | false | 1.437379 | -0.83655 | ['Li', 'Ni', 'O'] |
mp-2767497 | LiV3O4 | 3 | false | -0.429124 | -1.059949 | -0.868213 | false | 0.869616 | -0.813227 | ['Li', 'O', 'V'] |
mp-2913172 | LiVF4 | 3 | false | -1.32322 | 0.287994 | 0.685791 | true | -0.721901 | -0.99784 | ['F', 'Li', 'V'] |
mp-34650 | LiMn3O4 | 3 | true | -0.082641 | -0.26697 | -0.868213 | false | 0.593593 | -0.750632 | ['Li', 'Mn', 'O'] |
mp-505717 | LiV6O13 | 3 | false | -0.481376 | -0.339759 | -0.542597 | false | -0.073805 | 0.133395 | ['Li', 'O', 'V'] |
mp-554940 | LiCr3O8 | 3 | false | 0.074424 | -0.145068 | -0.394652 | false | -0.184694 | -0.435104 | ['Cr', 'Li', 'O'] |
mp-546920 | Li(CO)2 | 3 | false | 0.684287 | -0.036879 | 0.633858 | true | -1.302084 | -0.903469 | ['C', 'Li', 'O'] |
mp-559766 | Cs3LiF4 | 3 | false | -1.033758 | -2.005878 | 3.006946 | true | 0.507191 | -0.213603 | ['Cs', 'F', 'Li'] |
mp-581678 | LiEu2Si3 | 3 | false | 1.646318 | 0.098529 | -0.868213 | false | 0.840932 | -0.481388 | ['Eu', 'Li', 'Si'] |
mp-632417 | LiHO2 | 3 | false | 1.165938 | 0.743684 | -0.868213 | false | -1.382081 | -1.010728 | ['H', 'Li', 'O'] |
mp-632672 | LiHF2 | 3 | false | -0.222761 | 0.817614 | 4.815877 | false | -0.770789 | -1.153356 | ['F', 'H', 'Li'] |
mp-752921 | LiMn4O8 | 3 | true | 0.065684 | -0.187948 | -0.479356 | false | 0.176319 | -0.814431 | ['Li', 'Mn', 'O'] |
mp-752790 | LiFeO3 | 3 | true | 0.639722 | 0.243799 | -0.733809 | false | -0.238587 | -0.925091 | ['Fe', 'Li', 'O'] |
mp-752635 | Li(CoO2)3 | 3 | true | 0.667476 | 0.177093 | -0.868213 | false | 0.710261 | -0.959394 | ['Co', 'Li', 'O'] |
mp-752549 | LiAgF2 | 3 | false | -0.166431 | -0.680856 | 0.347582 | true | 0.959004 | -1.096801 | ['Ag', 'F', 'Li'] |
mp-752850 | LiNiO2 | 3 | true | 0.535207 | 0.404344 | -0.868213 | false | 0.750151 | -0.85375 | ['Li', 'Ni', 'O'] |
mp-753228 | LiMn3O6 | 3 | true | 0.013402 | -0.171982 | -0.245284 | false | 0.106852 | -0.909794 | ['Li', 'Mn', 'O'] |
mp-754098 | LiVO3 | 3 | false | -0.376968 | -0.059955 | 0.549153 | true | -0.362456 | -0.921682 | ['Li', 'O', 'V'] |
mp-753722 | LiCuS2 | 3 | false | 1.322943 | 0.851474 | -0.868213 | false | -0.40664 | -1.032743 | ['Cu', 'Li', 'S'] |
mp-754656 | LiMnO2 | 3 | true | -0.204529 | -0.036057 | -0.089281 | false | 0.326828 | -1.131953 | ['Li', 'Mn', 'O'] |
mp-754755 | LiVF4 | 3 | false | -1.330982 | 0.285947 | 0.559716 | true | -0.66173 | -0.773184 | ['F', 'Li', 'V'] |
mp-754766 | LiVF4 | 3 | false | -1.290514 | 0.296619 | 0.635822 | true | -0.627158 | -1.009937 | ['F', 'Li', 'V'] |
mp-755186 | LiVF4 | 3 | false | -1.279155 | 0.299615 | 0.574883 | true | -0.713959 | -0.281163 | ['F', 'Li', 'V'] |
mp-755103 | LiFeF3 | 3 | true | -0.823734 | 0.386048 | 1.283871 | true | -0.351184 | -0.525861 | ['F', 'Fe', 'Li'] |
mp-755547 | LiVF4 | 3 | false | -1.287168 | 0.297502 | 0.800424 | true | -0.705636 | -0.761864 | ['F', 'Li', 'V'] |
mp-755559 | LiNbO3 | 3 | false | -0.957579 | -0.272117 | 1.491942 | true | 0.11593 | -0.876784 | ['Li', 'Nb', 'O'] |
mp-756206 | LiVF4 | 3 | false | -1.295375 | 0.295337 | 0.170995 | true | -0.727684 | -0.27379 | ['F', 'Li', 'V'] |
mp-756951 | LiSbO3 | 3 | false | -0.094239 | 0.30214 | 1.126446 | true | 0.844252 | -0.900063 | ['Li', 'O', 'Sb'] |
mp-756516 | LiMnO2 | 3 | true | -0.147556 | -0.021031 | -0.868213 | false | 0.292135 | -0.808102 | ['Li', 'Mn', 'O'] |
mp-758249 | Li(FeO2)3 | 3 | true | 0.52636 | 0.023534 | -0.868213 | false | 0.063389 | -0.900853 | ['Fe', 'Li', 'O'] |
mp-759499 | LiMn2F6 | 3 | true | -0.968526 | 0.260845 | -0.697111 | false | -0.222953 | -0.914267 | ['F', 'Li', 'Mn'] |
mp-761164 | LiNbF5 | 3 | false | -1.224794 | -0.556269 | -0.83341 | false | -0.322992 | -0.094463 | ['F', 'Li', 'Nb'] |
mp-761189 | LiFeO3 | 3 | true | 0.925281 | 0.319109 | -0.868213 | false | 0.040593 | -0.959369 | ['Fe', 'Li', 'O'] |
mp-770932 | LiSbO3 | 3 | false | -0.140818 | 0.289856 | 1.044991 | true | 0.889625 | -0.904576 | ['Li', 'O', 'Sb'] |
mp-772535 | LiNb13O33 | 3 | false | -1.138028 | -0.591828 | 0.321243 | true | 0.282445 | 0.764575 | ['Li', 'Nb', 'O'] |
mp-769702 | LiMn4O8 | 3 | true | 0.058875 | -0.189744 | -0.868213 | false | 0.121121 | -0.805539 | ['Li', 'Mn', 'O'] |
mp-774235 | LiCr3O4 | 3 | false | -0.089801 | -0.322285 | -0.811608 | false | 0.402343 | -0.988103 | ['Cr', 'Li', 'O'] |
mp-774467 | LiVO2 | 3 | false | -0.224815 | -0.035741 | -0.364724 | false | 0.129245 | -1.019569 | ['Li', 'O', 'V'] |
mp-776117 | LiMnF4 | 3 | true | -1.047979 | 0.356805 | 0.580977 | true | -0.109678 | -1.053812 | ['F', 'Li', 'Mn'] |
mp-777472 | LiFeF4 | 3 | true | -0.835029 | 0.44643 | 1.791084 | true | -0.65505 | -0.277631 | ['F', 'Fe', 'Li'] |
mp-777595 | LiFeF4 | 3 | true | -0.870588 | 0.437052 | 1.446848 | true | -0.605092 | -0.770491 | ['F', 'Fe', 'Li'] |
mp-777677 | LiFeF4 | 3 | true | -0.88585 | 0.433027 | 1.226047 | true | -0.617738 | -0.29658 | ['F', 'Fe', 'Li'] |
mp-777655 | LiMnF3 | 3 | true | -1.114997 | 0.269077 | 1.490859 | true | -0.499313 | -0.479153 | ['F', 'Li', 'Mn'] |
mp-777674 | LiFeF4 | 3 | true | -0.883809 | 0.433565 | 1.617476 | true | -0.602495 | -0.304107 | ['F', 'Fe', 'Li'] |
mp-779343 | LiMnF4 | 3 | true | -0.988726 | 0.372432 | -0.779649 | false | -0.594664 | -0.314007 | ['F', 'Li', 'Mn'] |
mp-861245 | LiAgF4 | 3 | false | 0.117242 | -0.183141 | -0.868077 | false | 0.418223 | -1.029048 | ['Ag', 'F', 'Li'] |
mp-865631 | LiNiO2 | 3 | true | 0.523779 | 0.40133 | -0.868213 | false | 0.758589 | -1.046446 | ['Li', 'Ni', 'O'] |
mp-866271 | LiNiO2 | 3 | true | 0.532723 | 0.403689 | -0.868213 | false | 0.596123 | -0.93555 | ['Li', 'Ni', 'O'] |
mp-9158 | LiCuO2 | 3 | false | 0.575813 | 0.536982 | -0.654047 | false | 0.570112 | -1.131375 | ['Cu', 'Li', 'O'] |
mp-996992 | LiAgO2 | 3 | false | 0.981641 | 0.735136 | -0.576046 | false | 1.03764 | -1.10536 | ['Ag', 'Li', 'O'] |
mp-1211283 | Li(BH)4 | 3 | false | 1.925357 | 0.685826 | 0.290502 | true | -1.799937 | -0.747632 | ['B', 'H', 'Li'] |
mp-1029395 | LiCrN2 | 3 | false | 1.42545 | -0.133649 | -0.868213 | false | -0.361797 | -0.978343 | ['Cr', 'Li', 'N'] |
mp-1247145 | LiOsN2 | 3 | false | 2.011532 | -0.093279 | -0.868213 | false | 2.457499 | -0.947244 | ['Li', 'N', 'Os'] |
mp-1245526 | LiRuN2 | 3 | false | 1.987957 | 0.042166 | -0.868213 | false | 0.555503 | -0.953366 | ['Li', 'N', 'Ru'] |
mp-1245529 | LiSbN2 | 3 | false | 2.028685 | 0.426138 | -0.868213 | false | 0.665878 | -0.921455 | ['Li', 'N', 'Sb'] |
mp-1246145 | LiReN2 | 3 | false | 1.776748 | -3.291837 | -0.868213 | false | 2.289282 | -0.942425 | ['Li', 'N', 'Re'] |
mp-1245555 | LiIrN2 | 3 | false | 2.194492 | 0.128259 | -0.868213 | false | 2.548558 | -0.94996 | ['Ir', 'Li', 'N'] |
mp-1246000 | LiMnN2 | 3 | true | 1.601959 | -0.05148 | -0.868213 | false | -0.223648 | -0.985788 | ['Li', 'Mn', 'N'] |
mp-14232 | LiBO2 | 3 | false | -0.860547 | -0.028985 | 4.061794 | false | -0.569371 | -1.073587 | ['B', 'Li', 'O'] |
mp-20782 | LiInTe2 | 3 | false | 1.250755 | 1.073994 | 0.069363 | true | 0.635231 | -0.468951 | ['In', 'Li', 'Te'] |
mp-20187 | LiInSe2 | 3 | false | 1.008861 | -2.082318 | 0.196928 | true | 0.441284 | -0.629939 | ['In', 'Li', 'Se'] |
mp-3524 | LiPN2 | 3 | false | 1.043094 | -0.336601 | 1.705837 | true | -0.526014 | -1.024844 | ['Li', 'N', 'P'] |
mp-4586 | LiAlTe2 | 3 | false | 1.153852 | 0.976887 | 0.784647 | true | 0.15541 | -0.541945 | ['Al', 'Li', 'Te'] |
mp-5048 | LiGaTe2 | 3 | false | 1.247878 | 1.053728 | 0.207355 | true | 0.564589 | -0.545406 | ['Ga', 'Li', 'Te'] |
mp-758604 | LiAgF2 | 3 | false | -0.141122 | -0.674181 | 0.131656 | true | 0.478579 | -0.909994 | ['Ag', 'F', 'Li'] |
mp-777785 | LiFeF4 | 3 | true | -0.865793 | 0.438316 | 1.19903 | true | -0.542704 | -0.332508 | ['F', 'Fe', 'Li'] |
mp-1018133 | LiHPd | 3 | false | 1.722594 | -0.792585 | -0.868213 | false | 1.699085 | -1.150961 | ['H', 'Li', 'Pd'] |
mp-1077902 | Li(Mg2Si)2 | 3 | false | 2.10724 | 1.295285 | -0.868213 | false | -1.19914 | -0.845502 | ['Li', 'Mg', 'Si'] |
mp-1094124 | LiPH2 | 3 | false | 2.228042 | 0.798999 | -0.868213 | false | -1.359813 | -1.12669 | ['H', 'Li', 'P'] |
mp-1120734 | Cs3LiCl4 | 3 | false | 0.049199 | -2.159324 | 2.073433 | true | -0.21865 | -0.471352 | ['Cl', 'Cs', 'Li'] |
mp-1180477 | LiHPd | 3 | false | 1.997844 | -0.719994 | -0.868213 | false | 0.903623 | -1.130639 | ['H', 'Li', 'Pd'] |
mp-1147646 | LiCuN | 3 | false | 2.194749 | -0.045212 | -0.868213 | false | 0.376157 | -1.144202 | ['Cu', 'Li', 'N'] |
mp-1147649 | LiNiH2 | 3 | true | 1.900672 | 0.496529 | -0.868213 | false | 0.087445 | -1.154567 | ['H', 'Li', 'Ni'] |
mp-1207008 | LiMnSb2 | 3 | true | 2.291933 | -2.824318 | -0.868213 | false | 0.705791 | -0.933399 | ['Li', 'Mn', 'Sb'] |
mp-1209490 | Rb2LiS2 | 3 | false | 2.029116 | 1.369023 | -0.868213 | false | -1.882004 | -0.000125 | ['Li', 'Rb', 'S'] |
mp-1210528 | Na2LiS2 | 3 | false | 2.195359 | 1.370947 | -0.868213 | false | -2.246726 | 0.192977 | ['Li', 'Na', 'S'] |
mp-1210904 | LiMnAs2 | 3 | true | 2.418431 | 0.696 | -0.868213 | false | 0.558266 | -1.016716 | ['As', 'Li', 'Mn'] |
mp-1209608 | Rb2LiSe2 | 3 | false | 1.92395 | 1.415849 | -0.868213 | false | -0.717235 | -0.636959 | ['Li', 'Rb', 'Se'] |
mp-1211089 | LiMnP2 | 3 | true | 2.452135 | 0.596758 | -0.868213 | false | -0.334944 | -1.055438 | ['Li', 'Mn', 'P'] |
mp-1212056 | K2LiSe2 | 3 | false | 1.906019 | 1.393614 | -0.868213 | false | -1.08767 | -0.689589 | ['K', 'Li', 'Se'] |
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