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 |
|---|---|---|---|---|---|
8,800 | 3,287,806 | Br6Ge4 | 10 | -31.389928 | 5.946479 |
8,801 | 3,300,544 | Li8Pb | 9 | -20.139225 | 2.079938 |
8,802 | 3,300,544 | Li8Pb | 9 | -19.947075 | 2.272088 |
8,803 | 3,300,544 | Li8Pb | 9 | -19.193353 | 3.02581 |
8,804 | 3,300,544 | Li8Pb | 9 | -18.794074 | 3.425089 |
8,805 | 3,300,544 | Li8Pb | 9 | -4.305118 | 17.914045 |
8,806 | 3,300,544 | Li8Pb | 9 | -17.681271 | 4.537892 |
8,807 | 3,300,544 | Li8Pb | 9 | -13.024524 | 9.194639 |
8,808 | 3,300,544 | Li8Pb | 9 | -11.491733 | 10.72743 |
8,809 | 3,299,414 | Hg6Sr | 7 | -1.662046 | 1.171497 |
8,810 | 3,299,414 | Hg6Sr | 7 | -1.521373 | 1.312169 |
8,811 | 3,298,969 | Hg10Sr2 | 12 | -9.832774 | -4.332603 |
8,812 | 3,298,969 | Hg10Sr2 | 12 | -9.699426 | -4.199254 |
8,813 | 3,298,969 | Hg10Sr2 | 12 | -9.570344 | -4.070173 |
8,814 | 3,297,574 | Hg8Sr2 | 10 | -9.116328 | -3.783071 |
8,815 | 3,297,574 | Hg8Sr2 | 10 | -9.042776 | -3.709519 |
8,816 | 3,294,830 | Li4Pb8 | 12 | -38.561341 | -0.819211 |
8,817 | 3,294,830 | Li4Pb8 | 12 | -38.554982 | -0.812852 |
8,818 | 3,289,973 | Li4Pb3 | 7 | -20.686491 | -0.699394 |
8,819 | 3,289,973 | Li4Pb3 | 7 | -20.685562 | -0.698465 |
8,820 | 3,290,834 | Li10Pb6 | 16 | -44.355289 | 0.285945 |
8,821 | 3,290,834 | Li10Pb6 | 16 | -44.285961 | 0.355274 |
8,822 | 3,287,336 | Li2Pb3 | 5 | -15.891816 | -0.571757 |
8,823 | 3,287,336 | Li2Pb3 | 5 | -15.886919 | -0.56686 |
8,824 | 3,287,335 | Li3Pb2 | 5 | -14.490538 | -0.387967 |
8,825 | 3,287,335 | Li3Pb2 | 5 | -14.472094 | -0.369522 |
8,826 | 3,291,391 | Li6Pb14 | 20 | -65.782302 | -2.067095 |
8,827 | 3,291,391 | Li6Pb14 | 20 | -65.776622 | -2.061415 |
8,828 | 3,289,974 | Li6Pb8 | 14 | -43.97327 | -1.564101 |
8,829 | 3,289,974 | Li6Pb8 | 14 | -43.956444 | -1.547275 |
8,830 | 3,298,688 | Li2Pb10 | 12 | -41.109912 | -0.932809 |
8,831 | 3,298,688 | Li2Pb10 | 12 | -41.116521 | -0.939418 |
8,832 | 3,285,936 | Li13Pb2 | 15 | -31.677372 | 5.760395 |
8,833 | 3,285,936 | Li13Pb2 | 15 | -31.500987 | 5.936781 |
8,834 | 3,285,936 | Li13Pb2 | 15 | -31.40451 | 6.033258 |
8,835 | 3,285,500 | Li2Pb13 | 15 | -50.719261 | 0.110861 |
8,836 | 3,285,500 | Li2Pb13 | 15 | -50.896694 | -0.066572 |
8,837 | 3,285,500 | Li2Pb13 | 15 | -50.708532 | 0.12159 |
8,838 | 3,285,500 | Li2Pb13 | 15 | -50.501312 | 0.328811 |
8,839 | 3,285,500 | Li2Pb13 | 15 | -50.238983 | 0.591139 |
8,840 | 3,285,500 | Li2Pb13 | 15 | -49.943658 | 0.886464 |
8,841 | 3,285,500 | Li2Pb13 | 15 | -49.776991 | 1.053132 |
8,842 | 3,285,500 | Li2Pb13 | 15 | -49.5751 | 1.255022 |
8,843 | 3,285,500 | Li2Pb13 | 15 | -49.349427 | 1.480695 |
8,844 | 3,285,500 | Li2Pb13 | 15 | -49.177382 | 1.65274 |
8,845 | 3,285,500 | Li2Pb13 | 15 | -49.024315 | 1.805807 |
8,846 | 3,285,500 | Li2Pb13 | 15 | -49.01415 | 1.815972 |
8,847 | 3,297,394 | Li8Pb2 | 10 | -24.692219 | 1.077951 |
8,848 | 3,297,394 | Li8Pb2 | 10 | -24.59107 | 1.1791 |
8,849 | 3,286,685 | B2Mo3 | 5 | -47.423486 | -4.081264 |
8,850 | 3,286,685 | B2Mo3 | 5 | -47.422499 | -4.080277 |
8,851 | 3,297,133 | B2Mo6 | 8 | -79.907029 | -7.20246 |
8,852 | 3,297,133 | B2Mo6 | 8 | -79.905736 | -7.201167 |
8,853 | 3,285,719 | Co2Y13 | 15 | -98.650545 | -1.997644 |
8,854 | 3,285,719 | Co2Y13 | 15 | -98.642614 | -1.989713 |
8,855 | 3,298,363 | Mo4Rh16 | 20 | -141.486769 | 21.197255 |
8,856 | 3,298,363 | Mo4Rh16 | 20 | -141.463092 | 21.220932 |
8,857 | 3,294,749 | Na8Pb4 | 12 | -26.542447 | 0.950789 |
8,858 | 3,294,749 | Na8Pb4 | 12 | -26.420267 | 1.072969 |
8,859 | 3,294,749 | Na8Pb4 | 12 | -26.372921 | 1.120315 |
8,860 | 3,291,741 | Na8Pb3 | 11 | -20.904978 | 3.037252 |
8,861 | 3,291,741 | Na8Pb3 | 11 | -20.764459 | 3.17777 |
8,862 | 3,298,702 | NaPb5 | 6 | -20.2883 | -0.872117 |
8,863 | 3,298,702 | NaPb5 | 6 | -20.293267 | -0.877084 |
8,864 | 3,297,413 | Na8Pb2 | 10 | -18.478954 | 1.912269 |
8,865 | 3,297,413 | Na8Pb2 | 10 | -18.352339 | 2.038884 |
8,866 | 3,297,413 | Na8Pb2 | 10 | -18.280244 | 2.110979 |
8,867 | 3,287,343 | Na6Pb4 | 10 | -23.827996 | 0.342938 |
8,868 | 3,287,343 | Na6Pb4 | 10 | -23.826532 | 0.344401 |
8,869 | 3,289,015 | Na4Pb14 | 18 | -57.285675 | -0.92698 |
8,870 | 3,289,015 | Na4Pb14 | 18 | -57.285626 | -0.926931 |
8,871 | 3,291,398 | Na14Pb6 | 20 | -42.542254 | 2.019903 |
8,872 | 3,291,398 | Na14Pb6 | 20 | -42.335177 | 2.22698 |
8,873 | 3,291,399 | Na6Pb14 | 20 | -60.141181 | -0.460184 |
8,874 | 3,291,399 | Na6Pb14 | 20 | -60.141158 | -0.460161 |
8,875 | 3,289,277 | Na3Pb13 | 16 | -53.217261 | -2.070724 |
8,876 | 3,289,277 | Na3Pb13 | 16 | -53.231003 | -2.084466 |
8,877 | 3,300,191 | Na8Pb | 9 | -14.636789 | 2.203428 |
8,878 | 3,300,191 | Na8Pb | 9 | -14.817466 | 2.022751 |
8,879 | 3,300,191 | Na8Pb | 9 | -10.372106 | 6.46811 |
8,880 | 3,300,191 | Na8Pb | 9 | -7.669784 | 9.170432 |
8,881 | 3,300,191 | Na8Pb | 9 | -6.764374 | 10.075843 |
8,882 | 3,287,279 | Na4Pb6 | 10 | -28.656552 | -0.705909 |
8,883 | 3,287,279 | Na4Pb6 | 10 | -28.644193 | -0.69355 |
8,884 | 3,298,703 | Na5Pb | 6 | -10.802404 | 1.054359 |
8,885 | 3,298,703 | Na5Pb | 6 | -10.739999 | 1.116763 |
8,886 | 3,298,703 | Na5Pb | 6 | -10.696811 | 1.159952 |
8,887 | 3,287,412 | Nd4Pb6 | 10 | -45.942824 | -5.712366 |
8,888 | 3,287,412 | Nd4Pb6 | 10 | -45.936183 | -5.705725 |
8,889 | 3,299,872 | NdPb7 | 8 | -31.947728 | -2.359578 |
8,890 | 3,299,872 | NdPb7 | 8 | -31.936923 | -2.348773 |
8,891 | 3,289,980 | Na3Pb4 | 7 | -19.692048 | -0.504568 |
8,892 | 3,289,980 | Na3Pb4 | 7 | -19.692167 | -0.504687 |
8,893 | 3,289,540 | Na4Pb3 | 7 | -17.362906 | -0.065282 |
8,894 | 3,289,540 | Na4Pb3 | 7 | -17.333625 | -0.036 |
8,895 | 3,294,845 | Pd2V | 3 | -20.004619 | -0.091439 |
8,896 | 3,294,845 | Pd2V | 3 | -20.145642 | -0.232462 |
8,897 | 3,294,845 | Pd2V | 3 | -20.053308 | -0.140128 |
8,898 | 3,294,845 | Pd2V | 3 | -20.007216 | -0.094036 |
8,899 | 3,294,845 | Pd2V | 3 | -19.769985 | 0.143195 |
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