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-1096499 | LiNbRu2 | 3 | false | 5.43767 | -2.682869 | -0.702798 | false | -2.06609 | 0.948644 | ['Li', 'Nb', 'Ru'] |
mp-1096455 | LiZr2Pt | 3 | false | 5.086845 | -4.327982 | -0.866926 | false | -2.078223 | 1.624344 | ['Li', 'Pt', 'Zr'] |
mp-1096585 | LiMg2Ir | 3 | false | 4.155792 | 1.618637 | -0.817024 | false | -2.228167 | 1.591078 | ['Ir', 'Li', 'Mg'] |
mp-1096603 | Ba2LiHg | 3 | false | 3.296308 | 1.968762 | -0.790414 | false | -2.221692 | 4.143823 | ['Ba', 'Hg', 'Li'] |
mp-1096624 | LiSn2Ir | 3 | false | 4.138747 | 1.268996 | -0.868213 | false | -1.974464 | 1.381469 | ['Ir', 'Li', 'Sn'] |
mp-1096520 | LiSbPt2 | 3 | false | 3.837735 | -6.956425 | -0.495268 | false | -1.833633 | 1.226131 | ['Li', 'Pt', 'Sb'] |
mp-1096540 | LiAlIr2 | 3 | false | 4.943232 | -5.414995 | -0.817566 | false | -1.889604 | 0.928278 | ['Al', 'Ir', 'Li'] |
mp-1096537 | LiCaPb2 | 3 | false | 3.425268 | 1.61954 | -0.787774 | false | -2.152546 | 2.913302 | ['Ca', 'Li', 'Pb'] |
mp-1096544 | LiMnRh2 | 3 | true | 4.763776 | -1.944644 | -0.868213 | false | -2.086875 | 0.795707 | ['Li', 'Mn', 'Rh'] |
mp-1096532 | LiY2In | 3 | false | 4.414412 | -2.054916 | -0.840046 | false | -2.288201 | 3.112224 | ['In', 'Li', 'Y'] |
mp-1096568 | LiCu2Au | 3 | false | 3.746107 | 1.556077 | -0.488294 | false | -1.990802 | 0.810568 | ['Au', 'Cu', 'Li'] |
mp-1096635 | LiCrIr2 | 3 | false | 5.023469 | -5.998882 | -0.731372 | false | -1.819037 | 0.823029 | ['Cr', 'Ir', 'Li'] |
mp-1096598 | LiTi2Ir | 3 | false | 4.982776 | 0.927845 | -0.868213 | false | -2.124865 | 1.2239 | ['Ir', 'Li', 'Ti'] |
mp-1096601 | LiPRu2 | 3 | false | 4.848283 | -1.697156 | -0.868213 | false | -2.145382 | 0.879118 | ['Li', 'P', 'Ru'] |
mp-1096541 | LiSc2Pd | 3 | false | 4.213725 | -0.842193 | -0.868213 | false | -2.32124 | 2.232915 | ['Li', 'Pd', 'Sc'] |
mp-1096545 | LiMg2Cd | 3 | false | 3.263724 | 1.95485 | -0.824676 | false | -2.353237 | 2.218686 | ['Cd', 'Li', 'Mg'] |
mp-1096584 | LiGa2Tc | 3 | false | 4.208931 | -1.067798 | -0.868213 | false | -2.1555 | 0.979006 | ['Ga', 'Li', 'Tc'] |
mp-1096567 | LiPRh2 | 3 | false | 4.071915 | -1.715007 | -0.789941 | false | -2.11463 | 0.743917 | ['Li', 'P', 'Rh'] |
mp-1096595 | Sr2LiZn | 3 | false | 3.44758 | -0.568731 | -0.868213 | false | -2.344683 | 3.592431 | ['Li', 'Sr', 'Zn'] |
mp-1096680 | LiCaHg2 | 3 | false | 2.884031 | 1.970483 | -0.868213 | false | -2.140323 | 2.660707 | ['Ca', 'Hg', 'Li'] |
mp-1096643 | LiTl2Pd | 3 | false | 3.213914 | -7.167173 | -0.862864 | false | -1.974744 | 1.896437 | ['Li', 'Pd', 'Tl'] |
mp-1096683 | LiPdPb2 | 3 | false | 3.577179 | 1.429351 | -0.868213 | false | -1.954029 | 1.81202 | ['Li', 'Pb', 'Pd'] |
mp-1096671 | LiCu2Pd | 3 | false | 4.107437 | -0.790188 | -0.724398 | false | -2.086601 | 0.587583 | ['Cu', 'Li', 'Pd'] |
mp-1096688 | Ba2LiTl | 3 | false | 3.293193 | 1.818384 | -0.595614 | false | -2.24204 | 4.599434 | ['Ba', 'Li', 'Tl'] |
mp-1096693 | LiSbAu2 | 3 | false | 3.196065 | -6.994685 | -0.183465 | false | -1.874116 | 1.402257 | ['Au', 'Li', 'Sb'] |
mp-1096727 | Ba2LiMg | 3 | false | 3.655287 | 1.967628 | -0.868213 | false | -2.347054 | 4.817403 | ['Ba', 'Li', 'Mg'] |
mp-1096690 | LiCa2Pt | 3 | false | 3.187668 | -2.549522 | -0.332494 | false | -2.238703 | 2.109591 | ['Ca', 'Li', 'Pt'] |
mp-1096755 | Sr2LiRh | 3 | false | 3.583579 | -1.637284 | -0.779919 | false | -2.268483 | 2.56264 | ['Li', 'Rh', 'Sr'] |
mp-1097074 | LiCaTl2 | 3 | false | 3.345227 | -5.977598 | -0.835238 | false | -2.166122 | 3.024937 | ['Ca', 'Li', 'Tl'] |
mp-1096752 | LiY2Pd | 3 | false | 4.226048 | -2.132292 | -0.868213 | false | -2.230598 | 2.115733 | ['Li', 'Pd', 'Y'] |
mp-1097071 | LiY2Co | 3 | true | 4.625272 | 1.158368 | -0.868213 | false | -2.276689 | 2.125381 | ['Co', 'Li', 'Y'] |
mp-1097144 | LiTlHg2 | 3 | false | 2.801954 | -8.914852 | -0.868213 | false | -1.953299 | 2.297137 | ['Hg', 'Li', 'Tl'] |
mp-1097120 | LiSiAg2 | 3 | false | 3.856147 | 1.611291 | -0.420584 | false | -2.186284 | 1.253788 | ['Ag', 'Li', 'Si'] |
mp-1097129 | LiCrRh2 | 3 | false | 4.723274 | -1.983616 | -0.868213 | false | -2.003773 | 0.442568 | ['Cr', 'Li', 'Rh'] |
mp-1097153 | LiAl2Co | 3 | true | 4.297916 | 0.562492 | -0.828196 | false | -2.334838 | 0.967849 | ['Al', 'Co', 'Li'] |
mp-1097166 | LiZnGa2 | 3 | false | 3.367498 | -0.052659 | -0.74532 | false | -2.217727 | 1.093671 | ['Ga', 'Li', 'Zn'] |
mp-1097176 | SrLiTl2 | 3 | false | 3.293155 | -6.579414 | -0.868213 | false | -2.172481 | 3.558533 | ['Li', 'Sr', 'Tl'] |
mp-1097228 | LiAl2Au | 3 | false | 3.489917 | -2.359906 | -0.848848 | false | -2.154738 | 1.096298 | ['Al', 'Au', 'Li'] |
mp-1097183 | LiPbAu2 | 3 | false | 3.138338 | 1.483698 | -0.843702 | false | -1.881111 | 1.868127 | ['Au', 'Li', 'Pb'] |
mp-1097218 | LiCd2In | 3 | false | 3.079971 | -2.376582 | -0.868213 | false | -2.17909 | 2.130891 | ['Cd', 'In', 'Li'] |
mp-1097185 | LiZn2Co | 3 | true | 3.72045 | 0.094154 | -0.360661 | false | -2.219955 | 0.94407 | ['Co', 'Li', 'Zn'] |
mp-1097197 | LiZrCu2 | 3 | false | 4.608047 | 1.400849 | -0.868213 | false | -2.03977 | 0.301541 | ['Cu', 'Li', 'Zr'] |
mp-1097271 | LiY2Ag | 3 | false | 4.537805 | -1.933682 | -0.689933 | false | -2.260267 | 2.534273 | ['Ag', 'Li', 'Y'] |
mp-1097282 | LiCdHg2 | 3 | false | 2.621064 | -6.563449 | -0.832936 | false | -1.988055 | 1.966693 | ['Cd', 'Hg', 'Li'] |
mp-1097283 | LiHfAu2 | 3 | false | 3.796271 | -8.246881 | -0.67436 | false | -1.845803 | 1.563929 | ['Au', 'Hf', 'Li'] |
mp-1097272 | Sr2LiMg | 3 | false | 3.529926 | -0.203095 | -0.868213 | false | -2.387214 | 4.196075 | ['Li', 'Mg', 'Sr'] |
mp-1097238 | LiYPb2 | 3 | false | 3.815552 | 1.3958 | -0.854603 | false | -2.110417 | 2.867518 | ['Li', 'Pb', 'Y'] |
mp-1097380 | LiCa2Ag | 3 | false | 3.563929 | -0.264621 | -0.429048 | false | -2.356191 | 2.851958 | ['Ag', 'Ca', 'Li'] |
mp-1097399 | LiInHg2 | 3 | false | 2.838154 | -6.685624 | -0.868213 | false | -1.986953 | 1.974714 | ['Hg', 'In', 'Li'] |
mp-1097294 | LiBe2Au | 3 | false | 3.843453 | 1.633947 | 0.032461 | true | -2.107767 | 0.53582 | ['Au', 'Be', 'Li'] |
mp-1097313 | LiSnPt2 | 3 | false | 3.798689 | 1.230505 | -0.760555 | false | -1.843668 | 1.248587 | ['Li', 'Pt', 'Sn'] |
mp-1097447 | LiBe2Rh | 3 | false | 4.429821 | 1.491882 | -0.612947 | false | -2.256187 | 0.383752 | ['Be', 'Li', 'Rh'] |
mp-1097463 | LiZnCu2 | 3 | false | 3.614292 | 1.667413 | -0.668673 | false | -2.147863 | 0.532998 | ['Cu', 'Li', 'Zn'] |
mp-1097460 | LiScAg2 | 3 | false | 3.780589 | -1.56231 | -0.868213 | false | -2.233121 | 1.872778 | ['Ag', 'Li', 'Sc'] |
mp-1097457 | Sr2LiAl | 3 | false | 3.706704 | -0.342371 | -0.848239 | false | -2.357802 | 3.196533 | ['Al', 'Li', 'Sr'] |
mp-1097465 | LiHfHg2 | 3 | false | 3.945627 | -8.030914 | -0.834223 | false | -1.919532 | 1.953769 | ['Hf', 'Hg', 'Li'] |
mp-1097512 | LiZnCd2 | 3 | false | 2.957582 | -1.417426 | -0.841603 | false | -2.190653 | 1.755487 | ['Cd', 'Li', 'Zn'] |
mp-1097519 | NaSr2Li | 3 | false | 3.266002 | -0.228805 | -0.788925 | false | -2.404425 | 5.049209 | ['Li', 'Na', 'Sr'] |
mp-1097525 | LiCuAu2 | 3 | false | 3.249857 | 1.485069 | -0.082781 | false | -1.837192 | 0.97922 | ['Au', 'Cu', 'Li'] |
mp-1097473 | LiMnIr2 | 3 | true | 5.152083 | 0.812229 | -0.46832 | false | -1.810764 | 0.812126 | ['Ir', 'Li', 'Mn'] |
mp-1097513 | LiGa2Co | 3 | true | 3.904545 | -0.224647 | -0.868213 | false | -2.231763 | 1.136773 | ['Co', 'Ga', 'Li'] |
mp-1097500 | LiGaHg2 | 3 | false | 2.887333 | -5.864896 | -0.868213 | false | -1.954612 | 1.526426 | ['Ga', 'Hg', 'Li'] |
mp-1097470 | LiLaTl2 | 3 | false | 3.715686 | 1.678138 | -0.868213 | false | -2.107515 | 3.192265 | ['La', 'Li', 'Tl'] |
mp-1097506 | LiCdIn2 | 3 | false | 3.2004 | -2.524248 | -0.798878 | false | -2.171819 | 2.081163 | ['Cd', 'In', 'Li'] |
mp-1097511 | LiTa2Os | 3 | false | 6.712484 | -7.756883 | -0.868213 | false | -1.832648 | 1.413176 | ['Li', 'Os', 'Ta'] |
mp-1097526 | LiHg2Au | 3 | false | 2.525557 | -8.79956 | 0.342977 | true | -1.801294 | 1.504315 | ['Au', 'Hg', 'Li'] |
mp-1097579 | LiAlGa2 | 3 | false | 3.443958 | 0.125528 | -0.425189 | false | -2.268069 | 1.069237 | ['Al', 'Ga', 'Li'] |
mp-1097617 | LiSc2Hg | 3 | false | 4.258778 | -2.745818 | -0.868213 | false | -2.228903 | 2.167228 | ['Hg', 'Li', 'Sc'] |
mp-1097621 | LiMnAu2 | 3 | true | 3.168865 | -6.202286 | -0.514295 | false | -1.873981 | 1.064179 | ['Au', 'Li', 'Mn'] |
mp-1097607 | LiBeCu2 | 3 | false | 3.992536 | 1.5873 | -0.655537 | false | -2.256791 | 0.580567 | ['Be', 'Cu', 'Li'] |
mp-1097609 | LiCa2Pb | 3 | false | 3.477854 | 1.757232 | -0.868213 | false | -2.309236 | 3.485414 | ['Ca', 'Li', 'Pb'] |
mp-1097641 | LiGaIr2 | 3 | false | 4.978461 | -5.747402 | -0.807139 | false | -1.818617 | 0.904134 | ['Ga', 'Ir', 'Li'] |
mp-1097668 | LiAg2Sb | 3 | false | 3.460288 | -2.684628 | -0.653776 | false | -2.113684 | 1.55624 | ['Ag', 'Li', 'Sb'] |
mp-1097661 | LiYCd2 | 3 | false | 3.724837 | 1.771211 | -0.801993 | false | -2.238904 | 2.569026 | ['Cd', 'Li', 'Y'] |
mp-1222543 | LiCo2O3 | 3 | true | 0.565652 | 0.187887 | -0.868213 | false | 1.021241 | -1.081119 | ['Co', 'Li', 'O'] |
mp-1239018 | LiBe2Rh | 3 | false | 2.56576 | 1.000276 | -0.868213 | false | 0.523424 | -1.102877 | ['Be', 'Li', 'Rh'] |
mp-1272691 | LiV3O4 | 3 | false | -0.305598 | -0.317271 | -0.868213 | false | 0.573946 | -0.772477 | ['Li', 'O', 'V'] |
mp-1275948 | LiNi3O4 | 3 | true | 0.68498 | 0.30344 | -0.868213 | false | 1.28005 | -0.819875 | ['Li', 'Ni', 'O'] |
mp-1264151 | LiAl2Ru | 3 | false | 4.433782 | -0.285923 | -0.868213 | false | -2.200695 | 0.446661 | ['Al', 'Li', 'Ru'] |
mp-756203 | Li(WO3)2 | 3 | false | -0.238696 | -0.378335 | -0.868213 | false | 2.280137 | -0.607664 | ['Li', 'O', 'W'] |
mp-756519 | Li(ReO3)4 | 3 | false | -0.164799 | -0.400513 | -0.868213 | false | 2.453302 | -0.628032 | ['Li', 'O', 'Re'] |
mp-28253 | LiBiO2 | 3 | false | 0.147108 | 0.439093 | 0.511033 | true | 2.347904 | -0.583141 | ['Bi', 'Li', 'O'] |
mp-1222501 | LiMn2O4 | 3 | true | 0.222364 | -0.061616 | -0.868213 | false | 0.436501 | -0.844298 | ['Li', 'Mn', 'O'] |
mp-27227 | LiAg3O2 | 3 | false | 1.286182 | 0.894664 | -0.375422 | false | 2.292895 | -0.75374 | ['Ag', 'Li', 'O'] |
mp-763191 | LiMnF3 | 3 | true | -1.066089 | 0.281975 | 1.515505 | true | -0.441465 | -0.500388 | ['F', 'Li', 'Mn'] |
mp-1198560 | LiAlP2 | 3 | false | 1.786393 | 0.042462 | -0.868213 | false | -0.988139 | 0.379542 | ['Al', 'Li', 'P'] |
mp-1201040 | LiAlAs2 | 3 | false | 1.774947 | -0.788269 | -0.85853 | false | 0.045709 | 0.607878 | ['Al', 'As', 'Li'] |
mp-1045357 | LiTi2O4 | 3 | false | -1.324923 | -0.364686 | -0.868213 | false | -0.01707 | -0.809025 | ['Li', 'O', 'Ti'] |
mp-1045432 | Li(CrS2)2 | 3 | false | 0.997873 | 0.236432 | -0.868213 | false | -0.296558 | -0.544517 | ['Cr', 'Li', 'S'] |
mp-1045443 | Li(VS2)2 | 3 | false | 0.830545 | 0.239485 | -0.868213 | false | -0.277587 | -0.556479 | ['Li', 'S', 'V'] |
mp-1045536 | LiCr2O4 | 3 | false | -0.241088 | -0.224548 | -0.376505 | false | 0.109492 | -0.809531 | ['Cr', 'Li', 'O'] |
mp-1045435 | Li(MnS2)2 | 3 | true | 1.05154 | 0.291292 | -0.868213 | false | -0.292434 | -0.528777 | ['Li', 'Mn', 'S'] |
mp-1045514 | LiCr2O4 | 3 | false | -0.213095 | -0.217165 | -0.243321 | false | 0.213931 | -0.82597 | ['Cr', 'Li', 'O'] |
mp-1314210 | Li(NiO2)2 | 3 | true | 0.833537 | 0.379923 | -0.643823 | false | 0.732579 | -0.865405 | ['Li', 'Ni', 'O'] |
mp-1392117 | Li(CrS2)2 | 3 | false | 1.147176 | 0.275808 | -0.868213 | false | -0.394011 | -0.512558 | ['Cr', 'Li', 'S'] |
mp-1272804 | LiMn2O4 | 3 | true | -0.103573 | -0.147575 | -0.57916 | false | 0.190672 | -0.808436 | ['Li', 'Mn', 'O'] |
mp-1288227 | LiV2O4 | 3 | false | -0.587353 | -0.268686 | -0.399256 | false | 0.017016 | -0.799198 | ['Li', 'O', 'V'] |
mp-1288099 | LiMnO2 | 3 | true | -0.181537 | -0.029993 | -0.868213 | false | 0.279646 | -0.806176 | ['Li', 'Mn', 'O'] |
mp-1869741 | Li(NiS2)2 | 3 | true | 1.510405 | 0.692663 | -0.868213 | false | 0.019638 | -0.597264 | ['Li', 'Ni', 'S'] |
mp-1281748 | LiNiO2 | 3 | true | 0.548031 | 0.407726 | -0.868213 | false | 0.641246 | -0.840462 | ['Li', 'Ni', 'O'] |
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