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 |
|---|---|---|---|---|---|
11,800 | 3,296,371 | B9Ce3 | 12 | -80.173422 | 2.966878 |
11,801 | 3,293,463 | In7Pb6 | 13 | -40.700817 | -0.207484 |
11,802 | 3,293,463 | In7Pb6 | 13 | -40.683229 | -0.189895 |
11,803 | 3,294,519 | Cs4Rb2 | 6 | -5.332835 | 3.005994 |
11,804 | 3,294,519 | Cs4Rb2 | 6 | -5.332829 | 3.006 |
11,805 | 3,292,919 | Cs5Rb6 | 11 | -9.714064 | 5.566741 |
11,806 | 3,292,919 | Cs5Rb6 | 11 | -9.715903 | 5.564903 |
11,807 | 3,290,364 | Cs5Rb3 | 8 | -7.160008 | 3.957424 |
11,808 | 3,290,364 | Cs5Rb3 | 8 | -7.161483 | 3.955949 |
11,809 | 3,299,593 | CsRb6 | 7 | -6.326717 | 3.390842 |
11,810 | 3,299,593 | CsRb6 | 7 | -6.326253 | 3.391306 |
11,811 | 3,286,734 | Cs6Rb4 | 10 | -8.90473 | 4.991305 |
11,812 | 3,286,734 | Cs6Rb4 | 10 | -8.906168 | 4.989866 |
11,813 | 3,288,453 | Cs10Rb4 | 14 | -12.372569 | 7.086712 |
11,814 | 3,288,453 | Cs10Rb4 | 14 | -12.376097 | 7.083184 |
11,815 | 3,297,355 | Cs8Rb2 | 10 | -8.672991 | 5.229084 |
11,816 | 3,297,355 | Cs8Rb2 | 10 | -8.675191 | 5.226885 |
11,817 | 3,291,205 | Cs6Rb14 | 20 | -17.859782 | 9.914164 |
11,818 | 3,291,205 | Cs6Rb14 | 20 | -17.8624 | 9.911546 |
11,819 | 3,289,522 | Cs4Rb3 | 7 | -6.289011 | 3.437609 |
11,820 | 3,289,522 | Cs4Rb3 | 7 | -6.290467 | 3.436153 |
11,821 | 3,299,750 | CsRb7 | 8 | -7.572619 | 3.532731 |
11,822 | 3,299,750 | CsRb7 | 8 | -7.572619 | 3.532731 |
11,823 | 3,293,521 | Cs2Rb2 | 4 | -3.621621 | 1.935584 |
11,824 | 3,293,521 | Cs2Rb2 | 4 | -3.622362 | 1.934844 |
11,825 | 3,286,111 | Ho13In2 | 15 | -66.388499 | -3.047777 |
11,826 | 3,286,111 | Ho13In2 | 15 | -66.387275 | -3.046554 |
11,827 | 3,285,828 | Ag13Hg2 | 15 | -37.139349 | -6.760814 |
11,828 | 3,285,828 | Ag13Hg2 | 15 | -37.036955 | -6.658419 |
11,829 | 3,286,164 | Fe2Hf13 | 15 | -146.343542 | 1.032769 |
11,830 | 3,286,164 | Fe2Hf13 | 15 | -146.334788 | 1.041523 |
11,831 | 3,291,987 | Hf5Si4 | 9 | -77.82622 | -3.154615 |
11,832 | 3,291,987 | Hf5Si4 | 9 | -77.826254 | -3.154649 |
11,833 | 3,300,107 | CuPd8 | 9 | -45.815195 | 2.256017 |
11,834 | 3,300,107 | CuPd8 | 9 | -45.805781 | 2.26543 |
11,835 | 3,297,845 | Pr8Ru2 | 10 | -57.370488 | -1.322389 |
11,836 | 3,297,845 | Pr8Ru2 | 10 | -57.368014 | -1.319915 |
11,837 | 3,292,000 | Pr5Ru4 | 9 | -61.81895 | -1.610028 |
11,838 | 3,292,000 | Pr5Ru4 | 9 | -61.812879 | -1.603957 |
11,839 | 3,295,393 | Br2Sm | 3 | -12.974826 | -2.600035 |
11,840 | 3,295,393 | Br2Sm | 3 | -12.955802 | -2.581011 |
11,841 | 3,287,103 | S4Tl6 | 10 | -32.918664 | 1.672198 |
11,842 | 3,287,103 | S4Tl6 | 10 | -32.927127 | 1.663735 |
11,843 | 3,291,363 | S6Tl14 | 20 | -62.226175 | 0.285329 |
11,844 | 3,291,363 | S6Tl14 | 20 | -62.233833 | 0.277672 |
11,845 | 3,296,736 | S2Tl6 | 8 | -23.922943 | -0.252385 |
11,846 | 3,296,736 | S2Tl6 | 8 | -23.924101 | -0.253543 |
11,847 | 3,292,847 | S6Tl5 | 11 | -37.892813 | 5.49331 |
11,848 | 3,292,847 | S6Tl5 | 11 | -37.891542 | 5.49458 |
11,849 | 3,292,327 | S4Tl5 | 9 | -29.563678 | 2.902141 |
11,850 | 3,292,327 | S4Tl5 | 9 | -29.563955 | 2.901864 |
11,851 | 3,291,653 | Ca8Sn3 | 11 | -32.35003 | 1.444045 |
11,852 | 3,291,653 | Ca8Sn3 | 11 | -32.350019 | 1.444056 |
11,853 | 3,295,296 | Nb4Ru2 | 6 | -60.204383 | -1.73004 |
11,854 | 3,295,296 | Nb4Ru2 | 6 | -60.202683 | -1.72834 |
11,855 | 3,295,202 | Pd4Se8 | 12 | -51.212124 | 9.45537 |
11,856 | 3,295,202 | Pd4Se8 | 12 | -51.205705 | 9.461789 |
11,857 | 3,288,346 | Pd10Se4 | 14 | -68.388629 | 6.271171 |
11,858 | 3,288,346 | Pd10Se4 | 14 | -68.365878 | 6.293922 |
11,859 | 3,297,899 | Pd8Se2 | 10 | -49.304026 | 4.648144 |
11,860 | 3,297,899 | Pd8Se2 | 10 | -49.28365 | 4.66852 |
11,861 | 3,294,903 | Pd4Se2 | 6 | -28.710336 | 3.078807 |
11,862 | 3,294,903 | Pd4Se2 | 6 | -28.649026 | 3.140118 |
11,863 | 3,294,903 | Pd4Se2 | 6 | -28.573868 | 3.215275 |
11,864 | 3,294,903 | Pd4Se2 | 6 | -28.51523 | 3.273913 |
11,865 | 3,289,671 | Pd6Se8 | 14 | -63.140532 | 8.608475 |
11,866 | 3,289,671 | Pd6Se8 | 14 | -63.12821 | 8.620797 |
11,867 | 3,292,804 | Pd5Se6 | 11 | -49.610997 | 6.971137 |
11,868 | 3,292,804 | Pd5Se6 | 11 | -49.496935 | 7.085198 |
11,869 | 3,292,804 | Pd5Se6 | 11 | -49.427836 | 7.154298 |
11,870 | 3,289,546 | Pd3Tl4 | 7 | -26.130331 | -1.007891 |
11,871 | 3,289,546 | Pd3Tl4 | 7 | -26.125046 | -1.002607 |
11,872 | 3,293,713 | Bi2Pd2 | 4 | -19.147951 | -0.152827 |
11,873 | 3,293,713 | Bi2Pd2 | 4 | -19.144527 | -0.149403 |
11,874 | 3,289,302 | Bi3Pd13 | 16 | -82.133354 | 1.766899 |
11,875 | 3,289,302 | Bi3Pd13 | 16 | -82.105353 | 1.794899 |
11,876 | 3,292,744 | F6Tl5 | 11 | -41.911049 | -0.550831 |
11,877 | 3,292,744 | F6Tl5 | 11 | -41.762118 | -0.4019 |
11,878 | 3,292,744 | F6Tl5 | 11 | -41.374433 | -0.014215 |
11,879 | 3,289,664 | F8Tl6 | 14 | -54.410617 | -0.680355 |
11,880 | 3,289,664 | F8Tl6 | 14 | -54.188895 | -0.458633 |
11,881 | 3,289,664 | F8Tl6 | 14 | -54.035338 | -0.305076 |
11,882 | 3,289,664 | F8Tl6 | 14 | -53.58636 | 0.143902 |
11,883 | 3,292,295 | F5Tl4 | 9 | -33.864997 | 0.247677 |
11,884 | 3,292,295 | F5Tl4 | 9 | -33.772587 | 0.340088 |
11,885 | 3,292,295 | F5Tl4 | 9 | -33.48255 | 0.630125 |
11,886 | 3,290,849 | Bi6Pd10 | 16 | -79.266296 | -0.117897 |
11,887 | 3,290,849 | Bi6Pd10 | 16 | -79.250362 | -0.101962 |
11,888 | 3,295,090 | Bi2Pd4 | 6 | -30.059125 | 0.017512 |
11,889 | 3,295,090 | Bi2Pd4 | 6 | -30.052355 | 0.024282 |
11,890 | 3,293,199 | Cu5Pd7 | 12 | -57.598333 | -0.087244 |
11,891 | 3,293,199 | Cu5Pd7 | 12 | -57.503938 | 0.007152 |
11,892 | 3,291,670 | Cu3Pd8 | 11 | -49.773576 | 5.787953 |
11,893 | 3,291,670 | Cu3Pd8 | 11 | -49.725261 | 5.836268 |
11,894 | 3,289,948 | Cu8Pd6 | 14 | -65.505483 | -2.299675 |
11,895 | 3,289,948 | Cu8Pd6 | 14 | -65.34546 | -2.139652 |
11,896 | 3,289,484 | Cu3Pd4 | 7 | -33.18789 | 0.210612 |
11,897 | 3,289,484 | Cu3Pd4 | 7 | -33.139829 | 0.258673 |
11,898 | 3,292,828 | Cu5Pd6 | 11 | -51.568901 | 0.401432 |
11,899 | 3,292,828 | Cu5Pd6 | 11 | -51.484235 | 0.486098 |
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