sid int64 0 10.4M | source_alex_id int64 1,000k 11.7M | formula stringlengths 1 21 | natoms int64 1 236 | energy_total_eV float64 -15,761.64 -0 | energy_linref_eV float64 -15,686.61 569 |
|---|---|---|---|---|---|
4,800 | 3,289,798 | Hg4K3 | 7 | -6.312177 | -1.647086 |
4,801 | 3,292,188 | Hg4K5 | 9 | -8.62521 | -1.07261 |
4,802 | 3,292,188 | Hg4K5 | 9 | -8.637841 | -1.085241 |
4,803 | 3,287,607 | Hg3K2 | 5 | -4.410838 | -1.272958 |
4,804 | 3,287,607 | Hg3K2 | 5 | -4.418984 | -1.281105 |
4,805 | 3,291,497 | Hg6K14 | 20 | -20.019946 | 0.693355 |
4,806 | 3,291,497 | Hg6K14 | 20 | -20.03881 | 0.674491 |
4,807 | 3,289,073 | Hg14K4 | 18 | -11.931436 | -4.988019 |
4,808 | 3,289,073 | Hg14K4 | 18 | -11.969473 | -5.026056 |
4,809 | 3,286,371 | Hg13K2 | 15 | -7.435239 | -3.462788 |
4,810 | 3,286,371 | Hg13K2 | 15 | -7.215991 | -3.24354 |
4,811 | 3,286,371 | Hg13K2 | 15 | -6.990787 | -3.018337 |
4,812 | 3,286,371 | Hg13K2 | 15 | -6.743507 | -2.771056 |
4,813 | 3,286,371 | Hg13K2 | 15 | -6.741673 | -2.769222 |
4,814 | 3,298,236 | Sn8V2 | 10 | -49.660626 | 0.684704 |
4,815 | 3,298,236 | Sn8V2 | 10 | -49.641672 | 0.703657 |
4,816 | 3,290,150 | Mo3V4 | 7 | -67.543149 | -2.854136 |
4,817 | 3,290,150 | Mo3V4 | 7 | -67.387396 | -2.698382 |
4,818 | 3,290,150 | Mo3V4 | 7 | -67.48709 | -2.798077 |
4,819 | 3,286,596 | Hg17K2 | 19 | -9.381147 | -5.074868 |
4,820 | 3,286,596 | Hg17K2 | 19 | -9.43545 | -5.129171 |
4,821 | 3,294,280 | BaSn12 | 13 | -47.798714 | 3.864733 |
4,822 | 3,294,280 | BaSn12 | 13 | -47.789653 | 3.873794 |
4,823 | 3,294,342 | CrZn12 | 13 | -17.801315 | 6.615336 |
4,824 | 3,294,342 | CrZn12 | 13 | -17.644698 | 6.771953 |
4,825 | 3,299,209 | AlSm5 | 6 | -27.861255 | -0.361535 |
4,826 | 3,299,209 | AlSm5 | 6 | -27.861102 | -0.361382 |
4,827 | 3,291,262 | Dy3Pd7 | 10 | -59.066319 | -6.822799 |
4,828 | 3,291,262 | Dy3Pd7 | 10 | -59.051647 | -6.808128 |
4,829 | 3,288,263 | Cu4Y10 | 14 | -82.852783 | -3.878671 |
4,830 | 3,288,263 | Cu4Y10 | 14 | -82.785771 | -3.811659 |
4,831 | 3,296,201 | Sb2Ti6 | 8 | -58.278473 | 0.635987 |
4,832 | 3,296,201 | Sb2Ti6 | 8 | -58.274513 | 0.639947 |
4,833 | 3,288,422 | La10Ni4 | 14 | -75.417268 | -1.183646 |
4,834 | 3,288,422 | La10Ni4 | 14 | -75.338835 | -1.105213 |
4,835 | 3,288,971 | La4Ni14 | 18 | -106.41248 | -6.234095 |
4,836 | 3,288,971 | La4Ni14 | 18 | -106.414986 | -6.236601 |
4,837 | 3,298,462 | La4Ni16 | 20 | -115.067683 | -3.520761 |
4,838 | 3,298,462 | La4Ni16 | 20 | -114.810275 | -3.263353 |
4,839 | 3,298,462 | La4Ni16 | 20 | -114.54005 | -2.993127 |
4,840 | 3,296,567 | La12Ni4 | 16 | -83.984955 | 0.547975 |
4,841 | 3,296,567 | La12Ni4 | 16 | -83.900625 | 0.632306 |
4,842 | 3,297,580 | Pb2Tm8 | 10 | -44.337994 | -2.319106 |
4,843 | 3,297,580 | Pb2Tm8 | 10 | -44.337994 | -2.319106 |
4,844 | 3,294,205 | Sn2Zn2 | 4 | -10.137484 | 0.628318 |
4,845 | 3,294,205 | Sn2Zn2 | 4 | -10.137497 | 0.628304 |
4,846 | 3,292,067 | Ga5Zn4 | 9 | -19.126683 | 2.557381 |
4,847 | 3,292,067 | Ga5Zn4 | 9 | -19.120438 | 2.563626 |
4,848 | 3,293,233 | Ga7Zn5 | 12 | -26.951536 | 2.627563 |
4,849 | 3,293,233 | Ga7Zn5 | 12 | -26.898985 | 2.680114 |
4,850 | 3,288,978 | Ga4Zn14 | 18 | -28.580271 | 2.781614 |
4,851 | 3,288,978 | Ga4Zn14 | 18 | -28.567761 | 2.794124 |
4,852 | 3,285,483 | Ga13Zn2 | 15 | -39.789902 | 5.688394 |
4,853 | 3,285,483 | Ga13Zn2 | 15 | -39.778471 | 5.699825 |
4,854 | 3,290,711 | Ga10Zn6 | 16 | -36.83068 | 3.942146 |
4,855 | 3,290,711 | Ga10Zn6 | 16 | -36.820464 | 3.952362 |
4,856 | 3,291,191 | Ga7Zn3 | 10 | -24.619095 | 2.364702 |
4,857 | 3,291,191 | Ga7Zn3 | 10 | -24.573108 | 2.410689 |
4,858 | 3,297,336 | GaZn4 | 5 | -8.01687 | 0.472427 |
4,859 | 3,297,336 | GaZn4 | 5 | -8.014039 | 0.475258 |
4,860 | 3,291,697 | Ga8Zn3 | 11 | -27.411953 | 2.870535 |
4,861 | 3,291,697 | Ga8Zn3 | 11 | -27.405118 | 2.87737 |
4,862 | 3,286,971 | Ga3Zn2 | 5 | -11.464583 | 1.026795 |
4,863 | 3,286,971 | Ga3Zn2 | 5 | -11.461783 | 1.029595 |
4,864 | 3,290,621 | Ga3Zn5 | 8 | -15.057892 | 1.32644 |
4,865 | 3,290,621 | Ga3Zn5 | 8 | -15.0582 | 1.326132 |
4,866 | 3,288,332 | Ba10Sn4 | 14 | -41.849235 | 0.896287 |
4,867 | 3,288,332 | Ba10Sn4 | 14 | -41.843745 | 0.901778 |
4,868 | 3,296,883 | Ba2Sn6 | 8 | -31.076004 | -1.283602 |
4,869 | 3,296,883 | Ba2Sn6 | 8 | -31.068045 | -1.275643 |
4,870 | 3,292,901 | Ga6Zn5 | 11 | -23.736545 | 2.543862 |
4,871 | 3,292,901 | Ga6Zn5 | 11 | -23.730472 | 2.549935 |
4,872 | 3,300,134 | Ga8Zn | 9 | -25.084797 | 2.602389 |
4,873 | 3,300,134 | Ga8Zn | 9 | -25.076229 | 2.610956 |
4,874 | 3,298,657 | GaZn5 | 6 | -9.251247 | 0.535701 |
4,875 | 3,298,657 | GaZn5 | 6 | -9.383944 | 0.403004 |
4,876 | 3,298,657 | GaZn5 | 6 | -9.308342 | 0.478606 |
4,877 | 3,298,657 | GaZn5 | 6 | -9.143167 | 0.643781 |
4,878 | 3,298,657 | GaZn5 | 6 | -9.237587 | 0.549362 |
4,879 | 3,298,657 | GaZn5 | 6 | -8.810027 | 0.976921 |
4,880 | 3,298,657 | GaZn5 | 6 | -8.740343 | 1.046605 |
4,881 | 3,298,657 | GaZn5 | 6 | -7.043253 | 2.743695 |
4,882 | 3,298,657 | GaZn5 | 6 | -6.630609 | 3.156339 |
4,883 | 3,298,657 | GaZn5 | 6 | -3.777789 | 6.009159 |
4,884 | 3,298,657 | GaZn5 | 6 | -2.911716 | 6.875232 |
4,885 | 3,298,657 | GaZn5 | 6 | -2.687781 | 7.099167 |
4,886 | 3,291,491 | Al6Sm14 | 20 | -91.313199 | -1.074429 |
4,887 | 3,291,491 | Al6Sm14 | 20 | -91.313054 | -1.074284 |
4,888 | 3,296,167 | GaZn3 | 4 | -6.667185 | 0.52446 |
4,889 | 3,296,167 | GaZn3 | 4 | -6.664922 | 0.526723 |
4,890 | 3,293,519 | GaZn | 2 | -4.179236 | 0.417107 |
4,891 | 3,293,519 | GaZn | 2 | -4.149197 | 0.447146 |
4,892 | 3,293,519 | GaZn | 2 | -4.115924 | 0.480419 |
4,893 | 3,293,519 | GaZn | 2 | -4.085555 | 0.510788 |
4,894 | 3,293,519 | GaZn | 2 | -4.06017 | 0.536173 |
4,895 | 3,293,519 | GaZn | 2 | -4.015942 | 0.580401 |
4,896 | 3,293,519 | GaZn | 2 | -3.986801 | 0.609542 |
4,897 | 3,293,519 | GaZn | 2 | -3.976302 | 0.620041 |
4,898 | 3,292,900 | Ga5Zn6 | 11 | -22.238781 | 2.040585 |
4,899 | 3,292,900 | Ga5Zn6 | 11 | -22.231475 | 2.047892 |
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