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-1093673 | LiCaAu2 | 3 | false | 2.707843 | -5.769323 | -0.838827 | false | -2.067502 | 1.965147 | ['Au', 'Ca', 'Li'] |
mp-1093690 | LiLa2In | 3 | false | 4.287061 | -3.456719 | -0.691491 | false | -2.179271 | 2.648121 | ['In', 'La', 'Li'] |
mp-1093660 | LiMg2In | 3 | false | 3.463477 | 1.877024 | -0.868213 | false | -2.348608 | 2.167109 | ['In', 'Li', 'Mg'] |
mp-1093670 | LiHg2Rh | 3 | false | 3.398868 | -6.650734 | -0.701783 | false | -1.909485 | 1.495902 | ['Hg', 'Li', 'Rh'] |
mp-1093677 | LiAg2Hg | 3 | false | 3.078864 | -4.501551 | -0.868213 | false | -2.049432 | 1.715806 | ['Ag', 'Hg', 'Li'] |
mp-1093699 | LiMgHg2 | 3 | false | 2.789452 | 1.972751 | -0.868213 | false | -2.069904 | 1.920387 | ['Hg', 'Li', 'Mg'] |
mp-1093663 | LiCa2Pd | 3 | false | 3.304172 | -0.449518 | -0.492086 | false | -2.334098 | 2.309091 | ['Ca', 'Li', 'Pd'] |
mp-1093734 | Sr2LiPb | 3 | false | 3.397491 | 1.781471 | -0.868213 | false | -2.271432 | 4.017509 | ['Li', 'Pb', 'Sr'] |
mp-1093727 | LiMg2Au | 3 | false | 3.031343 | 1.725723 | -0.064838 | false | -2.225964 | 1.622881 | ['Au', 'Li', 'Mg'] |
mp-1093728 | Ba2LiIn | 3 | false | 3.467009 | 1.836101 | -0.852369 | false | -2.249068 | 3.652261 | ['Ba', 'In', 'Li'] |
mp-1093804 | LiAgAu2 | 3 | false | 3.06445 | -6.713828 | 0.291044 | true | -1.894431 | 1.417022 | ['Ag', 'Au', 'Li'] |
mp-1093802 | LiAgPd2 | 3 | false | 4.050924 | -2.446075 | -0.683772 | false | -2.078978 | 1.205563 | ['Ag', 'Li', 'Pd'] |
mp-1093818 | LiCd2Ir | 3 | false | 3.929442 | -4.312756 | -0.796644 | false | -2.044957 | 1.692247 | ['Cd', 'Ir', 'Li'] |
mp-1093827 | LiZr2Ru | 3 | false | 5.329029 | -2.373569 | -0.868213 | false | -2.163473 | 1.457764 | ['Li', 'Ru', 'Zr'] |
mp-1093819 | LiScCd2 | 3 | false | 3.631649 | -1.420118 | -0.833681 | false | -2.267951 | 2.442944 | ['Cd', 'Li', 'Sc'] |
mp-1093905 | LiLa2Tl | 3 | false | 4.345728 | 1.658275 | -0.868213 | false | -2.10773 | 2.671303 | ['La', 'Li', 'Tl'] |
mp-1093937 | LiGePt2 | 3 | false | 3.738709 | 1.170189 | -0.695215 | false | -1.811017 | 0.920566 | ['Ge', 'Li', 'Pt'] |
mp-1093969 | LiScGa2 | 3 | false | 3.848872 | -0.106171 | -0.784185 | false | -2.286613 | 1.520712 | ['Ga', 'Li', 'Sc'] |
mp-1093971 | Sr2LiHg | 3 | false | 3.212658 | 1.979567 | -0.868213 | false | -2.269479 | 3.886187 | ['Hg', 'Li', 'Sr'] |
mp-1095728 | LiPPd2 | 3 | false | 3.787103 | 1.254767 | -0.72521 | false | -2.140287 | 0.942937 | ['Li', 'P', 'Pd'] |
mp-1095737 | LiLaZn2 | 3 | false | 3.785271 | -1.086375 | -0.868213 | false | -2.239473 | 2.053511 | ['La', 'Li', 'Zn'] |
mp-1095776 | LiCd2Hg | 3 | false | 2.753068 | -4.406002 | -0.80768 | false | -2.093001 | 2.095144 | ['Cd', 'Hg', 'Li'] |
mp-1095784 | LiAlZn2 | 3 | false | 3.527767 | 0.514982 | -0.766784 | false | -2.294286 | 1.221977 | ['Al', 'Li', 'Zn'] |
mp-1095800 | LiCa2Sn | 3 | false | 3.478763 | 1.735934 | -0.868213 | false | -2.353041 | 2.992266 | ['Ca', 'Li', 'Sn'] |
mp-1095751 | LiSc2Al | 3 | false | 4.682929 | 0.458704 | -0.868213 | false | -2.388586 | 2.057985 | ['Al', 'Li', 'Sc'] |
mp-1095746 | LiY2Pb | 3 | false | 4.319061 | 1.325744 | -0.856499 | false | -2.222106 | 3.142993 | ['Li', 'Pb', 'Y'] |
mp-1095754 | Sr2LiCd | 3 | false | 3.360697 | 1.971436 | -0.868213 | false | -2.331656 | 4.08753 | ['Cd', 'Li', 'Sr'] |
mp-1095761 | LiMgZn2 | 3 | false | 3.246991 | 1.955586 | -0.868213 | false | -2.327082 | 1.618042 | ['Li', 'Mg', 'Zn'] |
mp-1095909 | LiTa2Re | 3 | false | 6.781498 | -7.697001 | -0.868213 | false | -2.047195 | 2.616703 | ['Li', 'Re', 'Ta'] |
mp-1095873 | LiZrHg2 | 3 | false | 3.817948 | 1.74224 | -0.739429 | false | -2.033545 | 2.130329 | ['Hg', 'Li', 'Zr'] |
mp-1095884 | LiTaOs2 | 3 | false | 6.17372 | -8.217653 | -0.682011 | false | -1.684188 | 0.97212 | ['Li', 'Os', 'Ta'] |
mp-1095806 | LiIn2Ag | 3 | false | 3.271854 | -2.59614 | -0.830295 | false | -2.150094 | 1.839707 | ['Ag', 'In', 'Li'] |
mp-1095830 | Sr2LiSn | 3 | false | 3.401738 | 1.761053 | -0.868213 | false | -2.310696 | 3.62679 | ['Li', 'Sn', 'Sr'] |
mp-1095903 | LiAg2Au | 3 | false | 3.388726 | -4.508121 | -0.538331 | false | -2.002453 | 1.418959 | ['Ag', 'Au', 'Li'] |
mp-1095811 | LiY2Ga | 3 | false | 4.460136 | 1.412605 | -0.571238 | false | -2.280591 | 2.334288 | ['Ga', 'Li', 'Y'] |
mp-1095885 | LiY2Tc | 3 | false | 4.794125 | -2.20039 | -0.575843 | false | -2.228512 | 1.994538 | ['Li', 'Tc', 'Y'] |
mp-1095913 | LiLaIn2 | 3 | false | 3.663064 | -3.101472 | -0.868213 | false | -2.205369 | 2.727625 | ['In', 'La', 'Li'] |
mp-1095855 | LiZnPt2 | 3 | false | 3.995937 | 1.481989 | -0.863541 | false | -1.815077 | 0.89977 | ['Li', 'Pt', 'Zn'] |
mp-1095845 | LiTi2Os | 3 | false | 5.285912 | -2.960638 | -0.868213 | false | -2.122349 | 1.191406 | ['Li', 'Os', 'Ti'] |
mp-1095850 | LiSc2Ga | 3 | false | 4.433308 | 0.051174 | -0.705236 | false | -2.337206 | 1.870451 | ['Ga', 'Li', 'Sc'] |
mp-1095962 | LiAg2Bi | 3 | false | 3.463474 | -5.062705 | -0.574624 | false | -2.066432 | 1.890047 | ['Ag', 'Bi', 'Li'] |
mp-1095921 | LiZn2Ag | 3 | false | 3.100666 | -0.65842 | 0.03368 | true | -2.197772 | 1.292817 | ['Ag', 'Li', 'Zn'] |
mp-1095924 | LiGa2Cu | 3 | false | 3.493152 | -0.159966 | -0.868213 | false | -2.181427 | 0.817118 | ['Cu', 'Ga', 'Li'] |
mp-1095973 | LiLaAu2 | 3 | false | 3.239848 | 1.42173 | -0.868213 | false | -1.989081 | 2.091752 | ['Au', 'La', 'Li'] |
mp-1095977 | Ba2LiCd | 3 | false | 3.459108 | 1.964523 | -0.790279 | false | -2.283982 | 4.376393 | ['Ba', 'Cd', 'Li'] |
mp-1095990 | Ba2NaLi | 3 | false | 3.41393 | 1.92492 | -0.793597 | false | -2.372927 | 5.936884 | ['Ba', 'Li', 'Na'] |
mp-1096022 | LiTiAu2 | 3 | false | 3.559814 | -5.972563 | -0.697991 | false | -1.915526 | 1.187101 | ['Au', 'Li', 'Ti'] |
mp-1096052 | LiAl2Ru | 3 | false | 4.439594 | -0.28439 | -0.866249 | false | -2.267963 | 0.916641 | ['Al', 'Li', 'Ru'] |
mp-1096051 | LiCd2Cu | 3 | false | 3.082811 | -1.524845 | 0.074102 | true | -2.146833 | 1.37689 | ['Cd', 'Cu', 'Li'] |
mp-1096075 | LiSnHg2 | 3 | false | 2.917971 | 1.834072 | -0.746742 | false | -1.95054 | 1.787625 | ['Hg', 'Li', 'Sn'] |
mp-1096087 | LiYIn2 | 3 | false | 3.747382 | -2.395126 | -0.868213 | false | -2.260638 | 2.964193 | ['In', 'Li', 'Y'] |
mp-1096038 | LiLa2Hg | 3 | false | 4.290923 | -5.398907 | -0.868213 | false | -2.070731 | 2.313589 | ['Hg', 'La', 'Li'] |
mp-1096048 | LiOs2W | 3 | false | 6.450428 | -8.346037 | -0.669214 | false | -1.656405 | 0.910987 | ['Li', 'Os', 'W'] |
mp-1096097 | Sr2LiIr | 3 | false | 3.820843 | -3.621928 | -0.867942 | false | -2.183908 | 2.455214 | ['Ir', 'Li', 'Sr'] |
mp-1096092 | LiY2Hg | 3 | false | 4.324584 | -4.021813 | -0.868213 | false | -2.199884 | 2.759572 | ['Hg', 'Li', 'Y'] |
mp-1096094 | LiMgAg2 | 3 | false | 3.232082 | 1.721974 | -0.346984 | false | -2.23279 | 1.629295 | ['Ag', 'Li', 'Mg'] |
mp-1096116 | LiGa2Ag | 3 | false | 3.402461 | -0.94618 | -0.860629 | false | -2.174689 | 1.200889 | ['Ag', 'Ga', 'Li'] |
mp-1096189 | LiInCu2 | 3 | false | 3.538004 | -0.912664 | -0.176356 | false | -2.159966 | 1.048383 | ['Cu', 'In', 'Li'] |
mp-1096107 | LiMgSn2 | 3 | false | 3.470099 | 1.615498 | -0.534743 | false | -2.228889 | 1.837616 | ['Li', 'Mg', 'Sn'] |
mp-1096093 | LiY2Cd | 3 | false | 4.551416 | 1.58669 | -0.868213 | false | -2.27587 | 2.849129 | ['Cd', 'Li', 'Y'] |
mp-1096141 | Sr2LiGa | 3 | false | 3.477044 | -0.744636 | -0.868213 | false | -2.326109 | 3.177785 | ['Ga', 'Li', 'Sr'] |
mp-1096192 | LiMgIn2 | 3 | false | 3.419192 | 1.783472 | -0.806665 | false | -2.253511 | 2.036203 | ['In', 'Li', 'Mg'] |
mp-1096089 | LiTaPt2 | 3 | false | 4.379886 | 0.813835 | -0.62263 | false | -1.840129 | 1.533893 | ['Li', 'Pt', 'Ta'] |
mp-1096099 | LiTlAg2 | 3 | false | 3.194386 | -4.747559 | -0.247789 | false | -2.091507 | 2.042568 | ['Ag', 'Li', 'Tl'] |
mp-1096115 | LiPd2Au | 3 | false | 4.055471 | -4.565063 | -0.758523 | false | -1.93012 | 1.07096 | ['Au', 'Li', 'Pd'] |
mp-1096139 | LiCd2Ni | 3 | true | 3.438929 | -1.51325 | -0.795019 | false | -2.201661 | 1.792598 | ['Cd', 'Li', 'Ni'] |
mp-1096155 | LiAgPb2 | 3 | false | 3.532246 | 1.587015 | -0.771253 | false | -2.009783 | 2.161901 | ['Ag', 'Li', 'Pb'] |
mp-1096167 | LiScIn2 | 3 | false | 3.720867 | -1.755444 | -0.865504 | false | -2.233402 | 2.037679 | ['In', 'Li', 'Sc'] |
mp-1096180 | LiZrPd2 | 3 | false | 3.954333 | -2.572659 | -0.585593 | false | -2.123381 | 1.348436 | ['Li', 'Pd', 'Zr'] |
mp-1096237 | LiIn2Cu | 3 | false | 3.38777 | -1.803273 | -0.847291 | false | -2.155232 | 1.482596 | ['Cu', 'In', 'Li'] |
mp-1096231 | LiMg2Cu | 3 | false | 3.446704 | 0.882975 | -0.261264 | false | -2.365982 | 1.431255 | ['Cu', 'Li', 'Mg'] |
mp-1096232 | LiBi2Pd | 3 | false | 3.459781 | -7.874554 | -0.702663 | false | -1.919632 | 1.653417 | ['Bi', 'Li', 'Pd'] |
mp-1096209 | LiBe2Pt | 3 | false | 4.118122 | 1.503481 | -0.599406 | false | -2.080829 | 0.410141 | ['Be', 'Li', 'Pt'] |
mp-1096265 | LiSc2Co | 3 | true | 4.585281 | -0.038693 | -0.868213 | false | -2.266881 | 0.825057 | ['Co', 'Li', 'Sc'] |
mp-1096330 | LiAgHg2 | 3 | false | 2.688607 | -6.636372 | -0.16173 | false | -1.949524 | 1.719978 | ['Ag', 'Hg', 'Li'] |
mp-1096296 | LiVRu2 | 3 | false | 5.174485 | -1.980159 | -0.656214 | false | -2.09322 | 0.76759 | ['Li', 'Ru', 'V'] |
mp-1096318 | LiScZn2 | 3 | false | 3.81294 | 1.763774 | -0.777685 | false | -2.307647 | 1.671361 | ['Li', 'Sc', 'Zn'] |
mp-1096278 | NaLiTl2 | 3 | false | 3.129672 | -5.782444 | -0.836186 | false | -2.19639 | 3.262244 | ['Li', 'Na', 'Tl'] |
mp-1096288 | LiSi2Ir | 3 | false | 4.373556 | 1.125534 | -0.717153 | false | -1.937923 | 0.195901 | ['Ir', 'Li', 'Si'] |
mp-1096281 | LiAlHg2 | 3 | false | 3.088383 | -5.470176 | -0.868213 | false | -2.000861 | 1.508213 | ['Al', 'Hg', 'Li'] |
mp-1096310 | LiY2Zn | 3 | false | 4.559572 | -1.0252 | -0.868213 | false | -2.287183 | 2.378047 | ['Li', 'Y', 'Zn'] |
mp-1096269 | LiYZn2 | 3 | false | 3.832484 | -0.389815 | -0.690814 | false | -2.281813 | 1.960979 | ['Li', 'Y', 'Zn'] |
mp-1096271 | LiSc2In | 3 | false | 4.40862 | -0.763094 | -0.868213 | false | -2.307542 | 2.130681 | ['In', 'Li', 'Sc'] |
mp-1096338 | NaLiHg2 | 3 | false | 2.640571 | -5.358486 | -0.782222 | false | -2.109082 | 2.219178 | ['Hg', 'Li', 'Na'] |
mp-1096335 | LiGe2Pt | 3 | false | 3.623823 | 1.244931 | -0.69061 | false | -1.972233 | 0.83714 | ['Ge', 'Li', 'Pt'] |
mp-1096370 | LiGe2Ir | 3 | false | 4.215659 | 1.200284 | -0.837676 | false | -1.985779 | 0.873282 | ['Ge', 'Ir', 'Li'] |
mp-1096413 | LiCuAg2 | 3 | false | 3.582041 | -1.574655 | -0.318004 | false | -2.131253 | 1.191923 | ['Ag', 'Cu', 'Li'] |
mp-1096394 | LiMgPt2 | 3 | false | 3.802078 | 1.403972 | -0.859885 | false | -1.940444 | 1.139209 | ['Li', 'Mg', 'Pt'] |
mp-1096395 | LiMgPb2 | 3 | false | 3.459341 | 1.655737 | -0.600557 | false | -2.09232 | 2.192017 | ['Li', 'Mg', 'Pb'] |
mp-1096433 | LiBe2Os | 3 | false | 5.201471 | 1.415174 | -0.47983 | false | -2.10323 | 0.462744 | ['Be', 'Li', 'Os'] |
mp-1096393 | LiGa2Au | 3 | false | 3.166434 | -3.128614 | -0.863202 | false | -2.037245 | 1.096202 | ['Au', 'Ga', 'Li'] |
mp-1096409 | LiZnHg2 | 3 | false | 2.698541 | -5.73101 | -0.868213 | false | -1.964343 | 1.550406 | ['Hg', 'Li', 'Zn'] |
mp-1096439 | LiZn2Ru | 3 | false | 4.130928 | 1.634238 | -0.836796 | false | -2.185398 | 1.128695 | ['Li', 'Ru', 'Zn'] |
mp-1096482 | LiLa2Ge | 3 | false | 4.078135 | 1.424382 | -0.805446 | false | -2.214017 | 2.647178 | ['Ge', 'La', 'Li'] |
mp-1096468 | LiZn2Cu | 3 | false | 3.24099 | 1.774929 | 0.107212 | true | -2.146515 | 0.542893 | ['Cu', 'Li', 'Zn'] |
mp-1096476 | LiLa2Cd | 3 | false | 4.487468 | 1.798039 | -0.868213 | false | -2.215377 | 3.099529 | ['Cd', 'La', 'Li'] |
mp-1096494 | LiSc2Tl | 3 | false | 4.386175 | -2.988694 | -0.868213 | false | -2.264813 | 2.717608 | ['Li', 'Sc', 'Tl'] |
mp-1096495 | LiNi2As | 3 | true | 4.15491 | -0.343674 | -0.863879 | false | -2.219536 | 0.969239 | ['As', 'Li', 'Ni'] |
mp-1096504 | Sr2LiPd | 3 | false | 3.216652 | 1.62735 | -0.868213 | false | -2.284108 | 2.876681 | ['Li', 'Pd', 'Sr'] |
mp-1096467 | LiRh2W | 3 | false | 5.181929 | -4.495343 | -0.712413 | false | -1.997979 | 1.251017 | ['Li', 'Rh', 'W'] |
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