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-862554 | LiEr2Ir | 3 | false | 1.488468 | 0.48907 | -0.868213 | false | 4.885278 | -1.006613 | ['Er', 'Ir', 'Li'] |
mp-862558 | LiEr2Os | 3 | false | 1.867027 | 0.415621 | -0.868213 | false | 4.912707 | -1.008327 | ['Er', 'Li', 'Os'] |
mp-862599 | LiErAu2 | 3 | false | 1.313716 | -8.087304 | -0.868213 | false | 5.649148 | -1.014742 | ['Au', 'Er', 'Li'] |
mp-862661 | LiEr2Ru | 3 | false | 1.820002 | 0.544881 | -0.868213 | false | 3.625182 | -1.006718 | ['Er', 'Li', 'Ru'] |
mp-862610 | LiHfIr2 | 3 | false | 1.406833 | -0.23318 | -0.868213 | false | 8.041341 | -1.064871 | ['Hf', 'Ir', 'Li'] |
mp-862614 | LiTm2Ru | 3 | false | 1.804657 | 0.553197 | -0.868213 | false | 3.750801 | -1.009646 | ['Li', 'Ru', 'Tm'] |
mp-862555 | LiY2Al | 3 | false | 1.883504 | -1.572933 | -0.868213 | false | -0.104871 | -0.955624 | ['Al', 'Li', 'Y'] |
mp-862657 | LiCuPd2 | 3 | false | 1.858348 | -2.262024 | -0.868213 | false | 3.471163 | -1.086161 | ['Cu', 'Li', 'Pd'] |
mp-862667 | LiAc2Ge | 3 | false | 1.846211 | 0.953971 | -0.868213 | false | 2.375252 | -0.887691 | ['Ac', 'Ge', 'Li'] |
mp-862619 | LiErIn2 | 3 | false | 1.656594 | -3.933886 | -0.868213 | false | 2.350044 | -0.971532 | ['Er', 'In', 'Li'] |
mp-862677 | LiHoTl2 | 3 | false | 1.747151 | -8.273631 | -0.868213 | false | 4.250398 | -0.962578 | ['Ho', 'Li', 'Tl'] |
mp-862673 | LiY2Ru | 3 | false | 1.902326 | 0.28495 | -0.868213 | false | 1.263345 | -0.995088 | ['Li', 'Ru', 'Y'] |
mp-862686 | LiAc2Ru | 3 | false | 2.16979 | -9.863851 | -0.868213 | false | 3.260189 | -0.925638 | ['Ac', 'Li', 'Ru'] |
mp-862717 | LiAlAu2 | 3 | false | 1.531684 | -6.057299 | -0.868213 | false | 5.32648 | -1.062975 | ['Al', 'Au', 'Li'] |
mp-862730 | LiGaRh2 | 3 | false | 1.587567 | 0.530957 | -0.868213 | false | 3.607715 | -1.090001 | ['Ga', 'Li', 'Rh'] |
mp-862684 | LiHf2Os | 3 | false | 1.665589 | -8.588778 | -0.868213 | false | 6.431613 | -1.039311 | ['Hf', 'Li', 'Os'] |
mp-862672 | LiY2Rh | 3 | false | 1.675462 | 0.363672 | -0.868213 | false | 1.237024 | -0.991808 | ['Li', 'Rh', 'Y'] |
mp-862719 | LiY2Os | 3 | false | 1.923043 | -4.917564 | -0.868213 | false | 2.486825 | -0.997359 | ['Li', 'Os', 'Y'] |
mp-862676 | LiHoIn2 | 3 | false | 1.772417 | 1.133939 | -0.868213 | false | 2.288258 | -0.969655 | ['Ho', 'In', 'Li'] |
mp-862685 | LiAc2Ir | 3 | false | 1.81974 | -11.909937 | -0.868213 | false | 4.134501 | -0.922752 | ['Ac', 'Ir', 'Li'] |
mp-862722 | LiHoAu2 | 3 | false | 1.317178 | -8.010655 | -0.868213 | false | 5.527705 | -1.012296 | ['Au', 'Ho', 'Li'] |
mp-862745 | Sr2LiPt | 3 | false | 1.73112 | -4.109822 | -0.868213 | false | 1.272302 | -0.918086 | ['Li', 'Pt', 'Sr'] |
mp-862775 | LiInRh2 | 3 | false | 1.793778 | -3.300615 | -0.868213 | false | 3.627237 | -1.066896 | ['In', 'Li', 'Rh'] |
mp-862746 | Sr2LiTl | 3 | false | 1.860971 | -4.198279 | -0.868213 | false | 0.613564 | -0.841014 | ['Li', 'Sr', 'Tl'] |
mp-862737 | LiHgPd2 | 3 | false | 1.783507 | 1.096721 | -0.868213 | false | 4.811235 | -1.053926 | ['Hg', 'Li', 'Pd'] |
mp-862764 | LiCa2Rh | 3 | false | 1.942824 | -0.893831 | -0.868213 | false | -0.173489 | -0.977173 | ['Ca', 'Li', 'Rh'] |
mp-862765 | LiGd2Ir | 3 | false | 1.602414 | -8.305521 | -0.868213 | false | 4.135954 | -0.990168 | ['Gd', 'Ir', 'Li'] |
mp-862774 | LiInPt2 | 3 | false | 1.475262 | -7.352601 | -0.868213 | false | 6.638672 | -1.05862 | ['In', 'Li', 'Pt'] |
mp-862842 | LiPm2Pt | 3 | false | 1.495402 | -6.260318 | -0.868213 | false | 3.310929 | -0.96694 | ['Li', 'Pm', 'Pt'] |
mp-862815 | LiScAu2 | 3 | false | 1.367879 | -6.438984 | -0.868213 | false | 4.579074 | -1.036369 | ['Au', 'Li', 'Sc'] |
mp-862841 | LiPm2Os | 3 | false | 2.000289 | -6.23579 | -0.868213 | false | 3.592897 | -0.982024 | ['Li', 'Os', 'Pm'] |
mp-862887 | LiSc2Os | 3 | false | 1.807631 | 0.143937 | -0.868213 | false | 2.091198 | -1.037949 | ['Li', 'Os', 'Sc'] |
mp-862927 | LiPmHg2 | 3 | false | 1.596854 | -7.517993 | -0.868213 | false | 4.112704 | -0.970179 | ['Hg', 'Li', 'Pm'] |
mp-862928 | LiPmTl2 | 3 | false | 1.701438 | -8.04336 | -0.868213 | false | 3.674169 | -0.947237 | ['Li', 'Pm', 'Tl'] |
mp-862926 | LiPmAu2 | 3 | false | 1.369018 | -7.754657 | -0.868213 | false | 4.658561 | -0.99383 | ['Au', 'Li', 'Pm'] |
mp-863659 | LiScHg2 | 3 | false | 1.689071 | -6.1777 | -0.868213 | false | 3.901854 | -1.011428 | ['Hg', 'Li', 'Sc'] |
mp-863697 | LiPm2Si | 3 | false | 1.80047 | 0.792407 | -0.868213 | false | 1.309346 | -0.965079 | ['Li', 'Pm', 'Si'] |
mp-863673 | LiPm2Rh | 3 | false | 1.731225 | -4.214132 | -0.868213 | false | 2.356676 | -0.974526 | ['Li', 'Pm', 'Rh'] |
mp-863675 | LiPm2Ru | 3 | false | 1.96675 | -4.245468 | -0.868213 | false | 2.44115 | -0.980214 | ['Li', 'Pm', 'Ru'] |
mp-864597 | LiMgTl2 | 3 | false | 2.019567 | 1.470597 | -0.868213 | false | 2.86698 | -0.975581 | ['Li', 'Mg', 'Tl'] |
mp-864598 | LiMg2Ag | 3 | false | 1.95384 | 1.472814 | -0.868213 | false | -0.008396 | -1.028505 | ['Ag', 'Li', 'Mg'] |
mp-864601 | LiMg2Rh | 3 | false | 1.770703 | 1.096549 | -0.868213 | false | 0.258353 | -1.054465 | ['Li', 'Mg', 'Rh'] |
mp-863727 | LiTiRh2 | 3 | false | 1.462966 | 0.14503 | -0.868213 | false | 2.898576 | -1.083539 | ['Li', 'Rh', 'Ti'] |
mp-864614 | LiMg2Pt | 3 | false | 1.496833 | 1.118125 | -0.868213 | false | 1.787568 | -1.051015 | ['Li', 'Mg', 'Pt'] |
mp-864631 | LiNbRh2 | 3 | false | 1.68516 | 0.043626 | -0.868213 | false | 3.409642 | -1.072477 | ['Li', 'Nb', 'Rh'] |
mp-864630 | LiMg2Hg | 3 | false | 1.906493 | 1.644082 | -0.868213 | false | 1.25143 | -1.019639 | ['Hg', 'Li', 'Mg'] |
mp-864763 | LiYb2Rh | 3 | false | 1.515828 | -5.284826 | -0.868213 | false | 3.90357 | -1.010063 | ['Li', 'Rh', 'Yb'] |
mp-864771 | LiYb2Pd | 3 | false | 1.638366 | -5.167222 | -0.868213 | false | 3.604392 | -0.997057 | ['Li', 'Pd', 'Yb'] |
mp-864781 | LiYb2Hg | 3 | false | 1.851639 | -7.026483 | -0.868213 | false | 4.066442 | -0.968054 | ['Hg', 'Li', 'Yb'] |
mp-864753 | LiYb2Ga | 3 | false | 1.768451 | -4.297458 | -0.868213 | false | 2.908474 | -0.987818 | ['Ga', 'Li', 'Yb'] |
mp-864769 | LiYb2Tl | 3 | false | 1.903208 | -7.289357 | -0.868213 | false | 3.861992 | -0.957477 | ['Li', 'Tl', 'Yb'] |
mp-864755 | LiAcTe2 | 3 | false | 0.609365 | 0.806046 | -0.491273 | false | 1.852311 | -0.878359 | ['Ac', 'Li', 'Te'] |
mp-864762 | LiMg2Zn | 3 | false | 2.037105 | 1.609613 | -0.868213 | false | -0.608862 | -1.03394 | ['Li', 'Mg', 'Zn'] |
mp-864768 | LiSnIr2 | 3 | false | 1.858776 | 0.317432 | -0.868213 | false | 7.126444 | -1.068321 | ['Ir', 'Li', 'Sn'] |
mp-864759 | LiYb2Ir | 3 | false | 1.354658 | -7.374549 | -0.868213 | false | 5.248822 | -1.012682 | ['Ir', 'Li', 'Yb'] |
mp-864772 | LiSc2Au | 3 | false | 1.651042 | -3.521841 | -0.868213 | false | 1.747442 | -1.016704 | ['Au', 'Li', 'Sc'] |
mp-864784 | LiSnRh2 | 3 | false | 1.548418 | 0.449439 | -0.868213 | false | 3.815977 | -1.070032 | ['Li', 'Rh', 'Sn'] |
mp-864804 | LiTbHg2 | 3 | false | 1.603353 | -7.638564 | -0.868213 | false | 4.633007 | -0.983445 | ['Hg', 'Li', 'Tb'] |
mp-864824 | LiTbAu2 | 3 | false | 1.391738 | 0.955957 | -0.868213 | false | 5.266756 | -1.007194 | ['Au', 'Li', 'Tb'] |
mp-864930 | LiTiIr2 | 3 | false | 1.445341 | -0.073475 | -0.868213 | false | 6.513974 | -1.081981 | ['Ir', 'Li', 'Ti'] |
mp-864997 | LiSiPd2 | 3 | false | 1.40493 | 0.625806 | -0.868213 | false | 2.827708 | -1.089152 | ['Li', 'Pd', 'Si'] |
mp-865046 | LiPaPt2 | 3 | false | 1.224891 | -11.355747 | -0.868213 | false | 6.892939 | -1.02382 | ['Li', 'Pa', 'Pt'] |
mp-865029 | LiPaRu2 | 3 | false | 1.782611 | -7.427576 | -0.868213 | false | 5.090147 | -1.052351 | ['Li', 'Pa', 'Ru'] |
mp-865116 | LiSmTl2 | 3 | false | 1.80741 | 1.190643 | -0.868213 | false | 3.787694 | -0.949751 | ['Li', 'Sm', 'Tl'] |
mp-865175 | LiEuTl2 | 3 | false | 1.730698 | -8.687045 | -0.868213 | false | 3.511564 | -0.93567 | ['Eu', 'Li', 'Tl'] |
mp-865228 | LiScPt2 | 3 | false | 1.113004 | 0.353718 | -0.868213 | false | 5.355302 | -1.057821 | ['Li', 'Pt', 'Sc'] |
mp-865184 | LiScPd2 | 3 | false | 1.380976 | -2.427938 | -0.868213 | false | 2.14579 | -1.055698 | ['Li', 'Pd', 'Sc'] |
mp-865231 | LiScTl2 | 3 | false | 1.829395 | -6.693641 | -0.868213 | false | 3.334108 | -0.985234 | ['Li', 'Sc', 'Tl'] |
mp-865444 | LiSc2Pt | 3 | false | 1.363845 | 0.400915 | -0.868213 | false | 2.022441 | -1.031475 | ['Li', 'Pt', 'Sc'] |
mp-865578 | LiNd2Ga | 3 | false | 1.798793 | -3.257783 | -0.868213 | false | 1.434461 | -0.941104 | ['Ga', 'Li', 'Nd'] |
mp-865710 | LiSnAu2 | 3 | false | 1.743781 | 1.094376 | -0.868213 | false | 5.463814 | -1.029084 | ['Au', 'Li', 'Sn'] |
mp-865708 | LiSm2Ru | 3 | false | 1.9452 | -4.27905 | -0.868213 | false | 2.661302 | -0.984545 | ['Li', 'Ru', 'Sm'] |
mp-865709 | LiPrTl2 | 3 | false | 1.706213 | -8.032188 | -0.868213 | false | 3.422485 | -0.937107 | ['Li', 'Pr', 'Tl'] |
mp-865738 | LiPrHg2 | 3 | false | 1.610419 | -7.504503 | -0.868213 | false | 3.816401 | -0.959702 | ['Hg', 'Li', 'Pr'] |
mp-865793 | LiSc2Rh | 3 | false | 1.567113 | 0.36072 | -0.868213 | false | 0.642023 | -1.034782 | ['Li', 'Rh', 'Sc'] |
mp-865812 | LiSmHg2 | 3 | false | 1.602362 | -7.530491 | -0.868213 | false | 4.25289 | -0.973191 | ['Hg', 'Li', 'Sm'] |
mp-865838 | LiSiRu2 | 3 | false | 1.783436 | 0.131622 | -0.868213 | false | 2.97615 | -1.099442 | ['Li', 'Ru', 'Si'] |
mp-865808 | LiNd2Ir | 3 | false | 1.65408 | -6.263909 | -0.868213 | false | 3.293857 | -0.968565 | ['Ir', 'Li', 'Nd'] |
mp-865795 | LiSc2Ru | 3 | false | 1.770686 | 0.275856 | -0.868213 | false | 0.649851 | -1.03715 | ['Li', 'Ru', 'Sc'] |
mp-865868 | LiZrRh2 | 3 | false | 1.417121 | -3.412368 | -0.868213 | false | 3.074917 | -1.063512 | ['Li', 'Rh', 'Zr'] |
mp-865893 | LiZr2Tc | 3 | false | 1.97575 | -3.297103 | -0.868213 | false | 1.917735 | -1.029883 | ['Li', 'Tc', 'Zr'] |
mp-865872 | LiZr2Re | 3 | false | 2.009095 | -0.212852 | -0.868213 | false | 3.248281 | -1.028864 | ['Li', 'Re', 'Zr'] |
mp-865866 | LiZrPt2 | 3 | false | 1.112608 | -7.460661 | -0.868213 | false | 5.797334 | -1.049548 | ['Li', 'Pt', 'Zr'] |
mp-865870 | LiZr2Os | 3 | false | 1.746113 | -5.317653 | -0.868213 | false | 3.387717 | -1.031624 | ['Li', 'Os', 'Zr'] |
mp-865924 | LiZrAu2 | 3 | false | 1.522887 | -7.221493 | -0.868213 | false | 5.173174 | -1.032652 | ['Au', 'Li', 'Zr'] |
mp-865936 | LiSc2Tc | 3 | false | 2.036586 | 0.267189 | -0.868213 | false | 0.528887 | -1.032388 | ['Li', 'Sc', 'Tc'] |
mp-865940 | LiThAu2 | 3 | false | 1.503505 | 0.784071 | -0.868213 | false | 5.555839 | -0.98639 | ['Au', 'Li', 'Th'] |
mp-865912 | LiZn2Rh | 3 | false | 1.703654 | -1.22853 | -0.868213 | false | 2.530554 | -1.084951 | ['Li', 'Rh', 'Zn'] |
mp-865925 | LiZrIr2 | 3 | false | 1.417715 | -7.506648 | -0.868213 | false | 6.243494 | -1.061263 | ['Ir', 'Li', 'Zr'] |
mp-865933 | LiSiIr2 | 3 | false | 1.404347 | 0.094893 | -0.868213 | false | 7.136819 | -1.098644 | ['Ir', 'Li', 'Si'] |
mp-865954 | LiHo2Rh | 3 | false | 1.629243 | 0.628778 | -0.868213 | false | 3.413748 | -0.999985 | ['Ho', 'Li', 'Rh'] |
mp-865963 | LiGaAg2 | 3 | false | 1.938164 | -2.051422 | -0.868213 | false | 2.699717 | -1.058062 | ['Ag', 'Ga', 'Li'] |
mp-865959 | LiHo2Ru | 3 | false | 1.846668 | 0.547567 | -0.868213 | false | 3.473041 | -1.00333 | ['Ho', 'Li', 'Ru'] |
mp-866017 | LiNd2Al | 3 | false | 1.93014 | -2.881445 | -0.868213 | false | 0.853767 | -0.930584 | ['Al', 'Li', 'Nd'] |
mp-866019 | LiNdTl2 | 3 | false | 1.802829 | 1.185839 | -0.868213 | false | 3.558025 | -0.942069 | ['Li', 'Nd', 'Tl'] |
mp-866058 | LiGd2Ru | 3 | false | 1.960982 | -6.257188 | -0.868213 | false | 2.96088 | -0.990353 | ['Gd', 'Li', 'Ru'] |
mp-866150 | LiSm2Os | 3 | false | 1.975537 | -6.270217 | -0.868213 | false | 3.8286 | -0.986123 | ['Li', 'Os', 'Sm'] |
mp-866146 | LiSm2Ir | 3 | false | 1.588427 | -6.32691 | -0.868213 | false | 3.75595 | -0.982183 | ['Ir', 'Li', 'Sm'] |
mp-867111 | LiDy2Ru | 3 | false | 1.863148 | 0.548911 | -0.868213 | false | 3.326816 | -1.000119 | ['Dy', 'Li', 'Ru'] |
mp-867119 | LiHfPd2 | 3 | false | 1.486355 | -4.84848 | -0.868213 | false | 4.433352 | -1.054111 | ['Hf', 'Li', 'Pd'] |
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