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-1207174 | LiAl2Ge | 3 | false | 2.254267 | 1.116077 | -0.868213 | false | -0.3726 | -1.037627 | ['Al', 'Ge', 'Li'] |
mp-1206745 | LiMg2Pb | 3 | false | 2.082318 | 1.443611 | -0.868213 | false | 0.612136 | -0.968089 | ['Li', 'Mg', 'Pb'] |
mp-1206798 | LiCa2Ge | 3 | false | 1.737761 | 1.232284 | -0.868213 | false | -0.705598 | -0.954011 | ['Ca', 'Ge', 'Li'] |
mp-1206962 | LiTaF6 | 3 | false | -1.622352 | -1.418275 | 3.297149 | true | 0.330243 | -0.897068 | ['F', 'Li', 'Ta'] |
mp-1211289 | Li(BH)3 | 3 | false | 1.886865 | 0.704489 | -0.868213 | false | -1.772636 | -0.868781 | ['B', 'H', 'Li'] |
mp-12609 | LiCa6Ge | 3 | false | 2.117719 | 1.423914 | -0.868213 | false | -1.167704 | -0.472729 | ['Ca', 'Ge', 'Li'] |
mp-1232420 | LiMg2Ir | 3 | false | 1.797908 | 0.996796 | -0.868213 | false | 1.869895 | -1.056634 | ['Ir', 'Li', 'Mg'] |
mp-1236414 | LiCrO2 | 3 | false | 0.737074 | 0.176653 | -0.868213 | false | 0.718781 | -1.147772 | ['Cr', 'Li', 'O'] |
mp-13914 | LiCo2Ge | 3 | true | 1.938651 | 0.541353 | -0.868213 | false | 2.643114 | -1.115207 | ['Co', 'Ge', 'Li'] |
mp-16349 | LiNi2Ge | 3 | true | 1.772824 | 0.693945 | -0.868213 | false | 2.43719 | -1.1104 | ['Ge', 'Li', 'Ni'] |
mp-13322 | LiGeRh2 | 3 | false | 1.457315 | 0.380915 | -0.868213 | false | 3.769946 | -1.092338 | ['Ge', 'Li', 'Rh'] |
mp-13396 | LiIn2Rh | 3 | false | 1.621127 | -3.233161 | -0.868213 | false | 3.05019 | -1.042246 | ['In', 'Li', 'Rh'] |
mp-13915 | LiNi2Sn | 3 | true | 1.870342 | 0.764161 | -0.868213 | false | 2.635764 | -1.086604 | ['Li', 'Ni', 'Sn'] |
mp-20801 | LiIn2Pd | 3 | false | 1.600105 | -3.153419 | -0.868213 | false | 2.888352 | -1.034283 | ['In', 'Li', 'Pd'] |
mp-20567 | LiGa2Ru | 3 | false | 1.764868 | -1.673188 | -0.868213 | false | 2.570717 | -1.081872 | ['Ga', 'Li', 'Ru'] |
mp-20265 | LiIn2Pt | 3 | false | 1.50891 | -5.246748 | -0.868213 | false | 4.33209 | -1.035729 | ['In', 'Li', 'Pt'] |
mp-20363 | LiGa2Pt | 3 | false | 1.490229 | 0.913625 | -0.868213 | false | 4.167844 | -1.074083 | ['Ga', 'Li', 'Pt'] |
mp-29633 | LiGePd2 | 3 | false | 1.501442 | 0.709455 | -0.868213 | false | 3.42969 | -1.080187 | ['Ge', 'Li', 'Pd'] |
mp-30079 | LiMg2Ge | 3 | false | 2.022548 | 1.361812 | -0.868213 | false | -0.658087 | -1.015977 | ['Ge', 'Li', 'Mg'] |
mp-2927 | LiAg2Sn | 3 | false | 1.918146 | 1.202879 | -0.868213 | false | 2.711411 | -1.028363 | ['Ag', 'Li', 'Sn'] |
mp-30763 | LiPd2Pb | 3 | false | 1.709775 | 0.830435 | -0.868213 | false | 4.591836 | -1.045247 | ['Li', 'Pb', 'Pd'] |
mp-30759 | LiMg2Tl | 3 | false | 2.07686 | 1.539456 | -0.868213 | false | 0.847971 | -0.989753 | ['Li', 'Mg', 'Tl'] |
mp-30817 | LiAl2Pd | 3 | false | 1.438263 | -0.89719 | -0.868213 | false | 0.838678 | -1.077808 | ['Al', 'Li', 'Pd'] |
mp-30648 | LiMg2Ga | 3 | false | 1.994961 | 1.470228 | -0.868213 | false | -0.642657 | -1.022828 | ['Ga', 'Li', 'Mg'] |
mp-30821 | LiAl2Rh | 3 | false | 1.333684 | -1.010058 | -0.868213 | false | 0.875361 | -1.082878 | ['Al', 'Li', 'Rh'] |
mp-31208 | LiIn2Ir | 3 | false | 1.710442 | -5.256824 | -0.868213 | false | 4.471908 | -1.0411 | ['In', 'Ir', 'Li'] |
mp-30819 | LiAl2Pt | 3 | false | 1.171538 | -3.036812 | -0.868213 | false | 2.655737 | -1.079146 | ['Al', 'Li', 'Pt'] |
mp-38489 | LiCo7O8 | 3 | true | 0.765215 | 0.082614 | -0.868213 | false | 1.445512 | -0.794032 | ['Co', 'Li', 'O'] |
mp-4913 | LiGa2Rh | 3 | false | 1.565684 | 0.839721 | -0.868213 | false | 2.596406 | -1.081505 | ['Ga', 'Li', 'Rh'] |
mp-5159 | LiGa2Pd | 3 | false | 1.583938 | -1.542167 | -0.868213 | false | 2.398403 | -1.072888 | ['Ga', 'Li', 'Pd'] |
mp-5419 | LiGa2Ir | 3 | false | 1.548952 | -3.683899 | -0.868213 | false | 4.3601 | -1.080014 | ['Ga', 'Ir', 'Li'] |
mp-567787 | LiInAg2 | 3 | false | 1.918433 | -2.864383 | -0.868213 | false | 2.775124 | -1.033255 | ['Ag', 'In', 'Li'] |
mp-567097 | LiCu2Ge | 3 | false | 1.970637 | 0.989973 | -0.868213 | false | 2.125237 | -1.095082 | ['Cu', 'Ge', 'Li'] |
mp-631330 | LiTaW2 | 3 | false | 2.795487 | -8.873942 | -0.868213 | false | 7.15633 | -1.05375 | ['Li', 'Ta', 'W'] |
mp-631333 | LiPdW2 | 3 | false | 3.036758 | -6.951091 | -0.868213 | false | 6.398376 | -1.0649 | ['Li', 'Pd', 'W'] |
mp-631334 | LiTc2Pd | 3 | false | 2.810171 | -3.32552 | -0.868213 | false | 3.529372 | -1.073795 | ['Li', 'Pd', 'Tc'] |
mp-672340 | LiIn2Ru | 3 | false | 1.917644 | -3.248411 | -0.868213 | false | 2.874259 | -1.036938 | ['In', 'Li', 'Ru'] |
mp-7243 | LiSnPd2 | 3 | false | 1.444922 | 0.739047 | -0.868213 | false | 3.500396 | -1.057452 | ['Li', 'Pd', 'Sn'] |
mp-7473 | LiCu2Si | 3 | false | 1.949337 | 0.92616 | -0.868213 | false | 1.365761 | -1.103929 | ['Cu', 'Li', 'Si'] |
mp-753571 | LiVF6 | 3 | false | -1.094389 | 0.434965 | 1.214401 | true | -0.726259 | -0.92888 | ['F', 'Li', 'V'] |
mp-861660 | LiNdHg2 | 3 | false | 1.602124 | -7.50771 | -0.868213 | false | 3.980536 | -0.965096 | ['Hg', 'Li', 'Nd'] |
mp-861625 | LiZnAg2 | 3 | false | 1.994575 | -1.852869 | -0.868213 | false | 2.75342 | -1.06253 | ['Ag', 'Li', 'Zn'] |
mp-861629 | LiMnPd2 | 3 | true | 1.770062 | 0.451054 | -0.868213 | false | 2.881863 | -1.074669 | ['Li', 'Mn', 'Pd'] |
mp-861652 | LiLuPt2 | 3 | false | 1.006178 | -8.600727 | -0.868213 | false | 6.914244 | -1.043393 | ['Li', 'Lu', 'Pt'] |
mp-861661 | LiPr2Ru | 3 | false | 2.039892 | -4.206353 | -0.868213 | false | 2.097111 | -0.966649 | ['Li', 'Pr', 'Ru'] |
mp-861667 | LiSbRh2 | 3 | false | 1.476178 | -3.61125 | -0.868213 | false | 3.923896 | -1.071332 | ['Li', 'Rh', 'Sb'] |
mp-861665 | LiTmIn2 | 3 | false | 1.661481 | -4.019324 | -0.868213 | false | 2.39884 | -0.973088 | ['In', 'Li', 'Tm'] |
mp-861666 | LiRu2W | 3 | false | 2.103612 | -5.494082 | -0.868213 | false | 5.51682 | -1.081094 | ['Li', 'Ru', 'W'] |
mp-861725 | LiTl2Rh | 3 | false | 2.007627 | -7.570592 | -0.868213 | false | 5.30086 | -1.025121 | ['Li', 'Rh', 'Tl'] |
mp-861663 | LiRh2Pb | 3 | false | 1.910131 | 0.566371 | -0.868213 | false | 5.029866 | -1.059447 | ['Li', 'Pb', 'Rh'] |
mp-861664 | LiTmAu2 | 3 | false | 1.306848 | -8.175841 | -0.868213 | false | 5.753747 | -1.01692 | ['Au', 'Li', 'Tm'] |
mp-861658 | LiMnPt2 | 3 | true | 1.643422 | 0.288358 | -0.868213 | false | 6.501981 | -1.077214 | ['Li', 'Mn', 'Pt'] |
mp-861616 | LiSc2Ir | 3 | false | 1.438374 | 0.219839 | -0.868213 | false | 2.106406 | -1.037228 | ['Ir', 'Li', 'Sc'] |
mp-861624 | LiLaHg2 | 3 | false | 1.597486 | -7.532636 | -0.868213 | false | 3.567239 | -0.949341 | ['Hg', 'La', 'Li'] |
mp-861901 | LiGaCu2 | 3 | false | 1.946526 | -0.524625 | -0.868213 | false | 2.074791 | -1.095549 | ['Cu', 'Ga', 'Li'] |
mp-861905 | LiBiPd2 | 3 | false | 1.696775 | -5.761416 | -0.868213 | false | 4.430287 | -1.039934 | ['Bi', 'Li', 'Pd'] |
mp-861876 | LiAc2Si | 3 | false | 1.980453 | 0.931179 | -0.868213 | false | 2.069634 | -0.895516 | ['Ac', 'Li', 'Si'] |
mp-861881 | LiGeAu2 | 3 | false | 1.818966 | 1.069706 | -0.868213 | false | 5.594363 | -1.05069 | ['Au', 'Ge', 'Li'] |
mp-861896 | LiHg2Pd | 3 | false | 1.826373 | 1.461296 | -0.868213 | false | 5.560863 | -1.033603 | ['Hg', 'Li', 'Pd'] |
mp-861915 | LiDy2Ir | 3 | false | 1.540567 | 0.495461 | -0.868213 | false | 4.529715 | -0.999255 | ['Dy', 'Ir', 'Li'] |
mp-861875 | LiHf2Re | 3 | false | 1.94468 | -0.43432 | -0.868213 | false | 6.228735 | -1.036172 | ['Hf', 'Li', 'Re'] |
mp-861900 | LiGaAu2 | 3 | false | 1.684256 | -6.358759 | -0.868213 | false | 5.950742 | -1.059694 | ['Au', 'Ga', 'Li'] |
mp-861736 | LiSbPd2 | 3 | false | 1.480925 | -3.439424 | -0.868213 | false | 3.49177 | -1.055561 | ['Li', 'Pd', 'Sb'] |
mp-861874 | LiHoHg2 | 3 | false | 1.619098 | -7.754453 | -0.868213 | false | 4.863095 | -0.988782 | ['Hg', 'Ho', 'Li'] |
mp-861885 | LiDyAu2 | 3 | false | 1.387975 | 0.956379 | -0.868213 | false | 5.407593 | -1.009854 | ['Au', 'Dy', 'Li'] |
mp-861886 | LiDyHg2 | 3 | false | 1.610734 | -7.691409 | -0.868213 | false | 4.756562 | -0.986198 | ['Dy', 'Hg', 'Li'] |
mp-861882 | LiGeIr2 | 3 | false | 1.718013 | 0.235811 | -0.868213 | false | 7.555996 | -1.090253 | ['Ge', 'Ir', 'Li'] |
mp-861733 | LiTePd2 | 3 | false | 1.597219 | 0.842049 | -0.868213 | false | 3.356738 | -1.048164 | ['Li', 'Pd', 'Te'] |
mp-861903 | LiBiRh2 | 3 | false | 1.839704 | -5.894295 | -0.868213 | false | 4.997451 | -1.057914 | ['Bi', 'Li', 'Rh'] |
mp-861913 | LiDy2Al | 3 | false | 1.897191 | -3.262074 | -0.868213 | false | 1.627818 | -0.959815 | ['Al', 'Dy', 'Li'] |
mp-861956 | LiPm2Ir | 3 | false | 1.616214 | -6.291682 | -0.868213 | false | 3.520146 | -0.977876 | ['Ir', 'Li', 'Pm'] |
mp-861955 | LiPm2Ge | 3 | false | 1.702226 | 0.824693 | -0.868213 | false | 1.744299 | -0.959398 | ['Ge', 'Li', 'Pm'] |
mp-861932 | LiZnAu2 | 3 | false | 1.683055 | -6.1754 | -0.868213 | false | 6.082808 | -1.064047 | ['Au', 'Li', 'Zn'] |
mp-861948 | LiPm2Al | 3 | false | 1.919474 | -2.902044 | -0.868213 | false | 0.941713 | -0.937014 | ['Al', 'Li', 'Pm'] |
mp-861930 | LiPdAu2 | 3 | false | 1.781681 | -7.168522 | -0.868213 | false | 6.361715 | -1.05469 | ['Au', 'Li', 'Pd'] |
mp-861954 | LiTaRu2 | 3 | false | 1.93794 | -5.336415 | -0.868213 | false | 5.179761 | -1.075415 | ['Li', 'Ru', 'Ta'] |
mp-861963 | LiLu2Os | 3 | false | 1.816904 | 0.40908 | -0.868213 | false | 5.424274 | -1.016913 | ['Li', 'Lu', 'Os'] |
mp-861933 | LiTmHg2 | 3 | false | 1.633115 | -7.913218 | -0.868213 | false | 5.061285 | -0.993613 | ['Hg', 'Li', 'Tm'] |
mp-861947 | LiPm2Ga | 3 | false | 1.785667 | -3.279031 | -0.868213 | false | 1.533432 | -0.947173 | ['Ga', 'Li', 'Pm'] |
mp-861964 | LiLu2Ir | 3 | false | 1.431855 | 0.480817 | -0.868213 | false | 5.411782 | -1.015759 | ['Ir', 'Li', 'Lu'] |
mp-861969 | LiTmTl2 | 3 | false | 1.76326 | -8.431843 | -0.868213 | false | 4.392252 | -0.966381 | ['Li', 'Tl', 'Tm'] |
mp-861951 | LiTaRh2 | 3 | false | 1.523311 | -5.258864 | -0.868213 | false | 5.212662 | -1.074584 | ['Li', 'Rh', 'Ta'] |
mp-862296 | LiAlPt2 | 3 | false | 1.048586 | -6.315672 | -0.868213 | false | 6.375738 | -1.085022 | ['Al', 'Li', 'Pt'] |
mp-862335 | LiAsRh2 | 3 | false | 1.52938 | -2.799402 | -0.868213 | false | 3.763144 | -1.091013 | ['As', 'Li', 'Rh'] |
mp-862297 | LiAlRh2 | 3 | false | 1.395552 | -2.256183 | -0.868213 | false | 2.740708 | -1.091652 | ['Al', 'Li', 'Rh'] |
mp-862321 | LiAsPd2 | 3 | false | 1.610006 | -2.607564 | -0.868213 | false | 3.272145 | -1.074616 | ['As', 'Li', 'Pd'] |
mp-862318 | LiAl2Ni | 3 | true | 1.632898 | -0.049496 | -0.868213 | false | 0.162466 | -1.094535 | ['Al', 'Li', 'Ni'] |
mp-862316 | LiBePt2 | 3 | false | 1.419113 | 0.62254 | -0.868213 | false | 7.154217 | -1.103323 | ['Be', 'Li', 'Pt'] |
mp-862290 | LiFeRh2 | 3 | true | 2.037853 | 0.25497 | -0.868213 | false | 3.342254 | -1.090888 | ['Fe', 'Li', 'Rh'] |
mp-862312 | LiBePd2 | 3 | false | 1.564148 | 0.790087 | -0.868213 | false | 2.89828 | -1.102412 | ['Be', 'Li', 'Pd'] |
mp-862492 | LiErTl2 | 3 | false | 1.841208 | 1.210499 | -0.868213 | false | 4.325885 | -0.964528 | ['Er', 'Li', 'Tl'] |
mp-862493 | LiEr2Al | 3 | false | 1.909052 | -3.540916 | -0.868213 | false | 1.872318 | -0.968378 | ['Al', 'Er', 'Li'] |
mp-862377 | LiBe2Ir | 3 | false | 1.747007 | 0.677419 | -0.868213 | false | 3.360718 | -1.119451 | ['Be', 'Ir', 'Li'] |
mp-862545 | LiTm2Tc | 3 | false | 2.107134 | -5.057199 | -0.868213 | false | 3.592716 | -1.00534 | ['Li', 'Tc', 'Tm'] |
mp-862613 | LiAc2Ga | 3 | false | 1.884165 | -8.924985 | -0.868213 | false | 2.216092 | -0.877867 | ['Ac', 'Ga', 'Li'] |
mp-862588 | LiDy2Tc | 3 | false | 2.121889 | -4.597885 | -0.868213 | false | 3.123231 | -0.993263 | ['Dy', 'Li', 'Tc'] |
mp-862618 | LiErHg2 | 3 | false | 1.628728 | -7.827649 | -0.868213 | false | 4.96903 | -0.991315 | ['Er', 'Hg', 'Li'] |
mp-862632 | LiCa2Al | 3 | false | 1.99749 | 0.383028 | -0.868213 | false | -1.364288 | -0.918474 | ['Al', 'Ca', 'Li'] |
mp-862660 | LiEr2Rh | 3 | false | 1.601687 | 0.625857 | -0.868213 | false | 3.57828 | -1.003968 | ['Er', 'Li', 'Rh'] |
mp-862549 | LiAcTl2 | 3 | false | 1.743148 | -10.868326 | -0.868213 | false | 3.561464 | -0.898502 | ['Ac', 'Li', 'Tl'] |
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