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 |
|---|---|---|---|---|---|
7,800 | 3,293,036 | La5Nd6 | 11 | -51.904842 | 2.230061 |
7,801 | 3,290,074 | Er4Zn3 | 7 | -22.685943 | -0.983679 |
7,802 | 3,290,074 | Er4Zn3 | 7 | -22.6835 | -0.981236 |
7,803 | 3,289,122 | La2Nd7 | 9 | -42.822261 | 0.594783 |
7,804 | 3,289,122 | La2Nd7 | 9 | -42.821672 | 0.595372 |
7,805 | 3,287,618 | Pt6Tc4 | 10 | -77.02417 | 1.649839 |
7,806 | 3,287,618 | Pt6Tc4 | 10 | -77.007144 | 1.666865 |
7,807 | 3,291,500 | La6Nd14 | 20 | -93.192006 | 3.941391 |
7,808 | 3,291,500 | La6Nd14 | 20 | -93.190862 | 3.942535 |
7,809 | 3,296,213 | Se6U2 | 8 | -50.882473 | 1.86628 |
7,810 | 3,296,213 | Se6U2 | 8 | -50.749007 | 1.999745 |
7,811 | 3,289,823 | Se8U6 | 14 | -110.750544 | -0.634871 |
7,812 | 3,289,823 | Se8U6 | 14 | -110.308721 | -0.193047 |
7,813 | 3,287,085 | Se3U2 | 5 | -37.976331 | 0.333246 |
7,814 | 3,287,085 | Se3U2 | 5 | -37.902822 | 0.406755 |
7,815 | 3,287,085 | Se3U2 | 5 | -37.881949 | 0.427628 |
7,816 | 3,291,663 | Se8U3 | 11 | -71.323317 | 2.986753 |
7,817 | 3,291,663 | Se8U3 | 11 | -71.308524 | 3.001547 |
7,818 | 3,285,550 | Ho2Nd13 | 15 | -70.315252 | 0.090442 |
7,819 | 3,285,550 | Ho2Nd13 | 15 | -70.309157 | 0.096536 |
7,820 | 3,297,844 | Nd8Ru2 | 10 | -57.423232 | -1.262495 |
7,821 | 3,297,844 | Nd8Ru2 | 10 | -57.420474 | -1.259736 |
7,822 | 3,291,998 | Nd5Ru4 | 9 | -62.044149 | -1.764828 |
7,823 | 3,291,998 | Nd5Ru4 | 9 | -62.037758 | -1.758437 |
7,824 | 3,285,551 | Ho13Nd2 | 15 | -67.969661 | -0.648813 |
7,825 | 3,285,551 | Ho13Nd2 | 15 | -67.963706 | -0.642859 |
7,826 | 3,298,262 | Ru2Ta8 | 10 | -112.011009 | 0.114471 |
7,827 | 3,298,262 | Ru2Ta8 | 10 | -112.00924 | 0.11624 |
7,828 | 3,287,274 | Al6Ga4 | 10 | -33.483068 | 4.535861 |
7,829 | 3,287,274 | Al6Ga4 | 10 | -33.482139 | 4.53679 |
7,830 | 3,299,901 | LaNd7 | 8 | -38.217748 | 0.049641 |
7,831 | 3,299,901 | LaNd7 | 8 | -38.007094 | 0.260295 |
7,832 | 3,299,901 | LaNd7 | 8 | -36.321369 | 1.94602 |
7,833 | 3,299,901 | LaNd7 | 8 | -35.078355 | 3.189034 |
7,834 | 3,299,901 | LaNd7 | 8 | -22.641955 | 15.625434 |
7,835 | 3,299,901 | LaNd7 | 8 | -12.069504 | 26.197885 |
7,836 | 3,293,242 | Al7Ga5 | 12 | -40.807062 | 4.647919 |
7,837 | 3,293,242 | Al7Ga5 | 12 | -40.805784 | 4.649197 |
7,838 | 3,293,520 | Al2Ga2 | 4 | -13.09351 | 1.778595 |
7,839 | 3,293,520 | Al2Ga2 | 4 | -13.092855 | 1.779249 |
7,840 | 3,288,981 | Al14Ga4 | 18 | -61.492729 | 9.625083 |
7,841 | 3,288,981 | Al14Ga4 | 18 | -61.492308 | 9.625503 |
7,842 | 3,285,485 | Al2Ga13 | 15 | -44.796737 | 6.360977 |
7,843 | 3,285,485 | Al2Ga13 | 15 | -44.78546 | 6.372254 |
7,844 | 3,288,877 | Al5Ga2 | 7 | -24.13316 | 3.151025 |
7,845 | 3,288,877 | Al5Ga2 | 7 | -24.13234 | 3.151846 |
7,846 | 3,298,664 | Al2Ga10 | 12 | -37.385871 | 3.875768 |
7,847 | 3,298,664 | Al2Ga10 | 12 | -37.37009 | 3.891548 |
7,848 | 3,292,913 | Al6Ga5 | 11 | -36.73813 | 4.579491 |
7,849 | 3,292,913 | Al6Ga5 | 11 | -36.738064 | 4.579557 |
7,850 | 3,292,914 | Al5Ga6 | 11 | -36.354833 | 4.124119 |
7,851 | 3,292,914 | Al5Ga6 | 11 | -36.352524 | 4.126428 |
7,852 | 3,289,959 | Al4Ga3 | 7 | -23.849981 | 2.595536 |
7,853 | 3,289,959 | Al4Ga3 | 7 | -23.795596 | 2.64992 |
7,854 | 3,296,112 | Al2Ga6 | 8 | -25.175172 | 2.8917 |
7,855 | 3,296,112 | Al2Ga6 | 8 | -25.172692 | 2.89418 |
7,856 | 3,285,486 | Al13Ga2 | 15 | -49.91868 | 10.464388 |
7,857 | 3,285,486 | Al13Ga2 | 15 | -49.918417 | 10.464651 |
7,858 | 3,290,713 | Al6Ga10 | 16 | -51.529853 | 6.281227 |
7,859 | 3,290,713 | Al6Ga10 | 16 | -51.525957 | 6.285123 |
7,860 | 3,291,199 | Al3Ga7 | 10 | -32.142766 | 3.360158 |
7,861 | 3,291,199 | Al3Ga7 | 10 | -32.142603 | 3.360321 |
7,862 | 3,297,347 | Al4Ga | 5 | -17.855558 | 1.992575 |
7,863 | 3,297,347 | Al4Ga | 5 | -17.855358 | 1.992776 |
7,864 | 3,288,936 | Cd14Ce4 | 18 | -39.106334 | -0.798786 |
7,865 | 3,288,936 | Cd14Ce4 | 18 | -38.877399 | -0.569852 |
7,866 | 3,288,936 | Cd14Ce4 | 18 | -38.469149 | -0.161602 |
7,867 | 3,294,454 | Pd2Ti4 | 6 | -42.986149 | 1.529833 |
7,868 | 3,294,454 | Pd2Ti4 | 6 | -42.986141 | 1.529841 |
7,869 | 3,300,643 | AcSr8 | 9 | -17.194235 | 5.925791 |
7,870 | 3,300,643 | AcSr8 | 9 | -16.41949 | 6.700535 |
7,871 | 3,300,643 | AcSr8 | 9 | -16.145654 | 6.974372 |
7,872 | 3,300,643 | AcSr8 | 9 | -9.369875 | 13.750151 |
7,873 | 3,300,643 | AcSr8 | 9 | -4.272535 | 18.847491 |
7,874 | 3,300,643 | AcSr8 | 9 | -3.228817 | 19.891209 |
7,875 | 3,298,778 | AcSr5 | 6 | -12.299293 | 3.822333 |
7,876 | 3,298,778 | AcSr5 | 6 | -12.296499 | 3.825127 |
7,877 | 3,286,684 | B2W3 | 5 | -53.284476 | -4.324921 |
7,878 | 3,286,684 | B2W3 | 5 | -53.283559 | -4.324004 |
7,879 | 3,292,548 | La4Te5 | 9 | -46.930479 | -6.717746 |
7,880 | 3,292,548 | La4Te5 | 9 | -46.930448 | -6.717715 |
7,881 | 3,290,297 | La8Te6 | 14 | -76.997299 | -12.263125 |
7,882 | 3,290,297 | La8Te6 | 14 | -76.997287 | -12.263113 |
7,883 | 3,287,708 | La2Te3 | 5 | -26.391898 | -4.32412 |
7,884 | 3,287,708 | La2Te3 | 5 | -26.391817 | -4.324039 |
7,885 | 3,297,934 | Ni2Zr8 | 10 | -81.399201 | 0.605768 |
7,886 | 3,297,934 | Ni2Zr8 | 10 | -81.288346 | 0.716623 |
7,887 | 3,297,934 | Ni2Zr8 | 10 | -81.187284 | 0.817685 |
7,888 | 3,297,934 | Ni2Zr8 | 10 | -81.085904 | 0.919065 |
7,889 | 3,297,934 | Ni2Zr8 | 10 | -80.976327 | 1.028641 |
7,890 | 3,297,934 | Ni2Zr8 | 10 | -80.876042 | 1.128926 |
7,891 | 3,297,934 | Ni2Zr8 | 10 | -80.76688 | 1.238089 |
7,892 | 3,297,934 | Ni2Zr8 | 10 | -80.655429 | 1.349539 |
7,893 | 3,297,934 | Ni2Zr8 | 10 | -80.553525 | 1.451444 |
7,894 | 3,297,934 | Ni2Zr8 | 10 | -80.447145 | 1.557823 |
7,895 | 3,297,934 | Ni2Zr8 | 10 | -80.328654 | 1.676314 |
7,896 | 3,297,934 | Ni2Zr8 | 10 | -80.280555 | 1.724414 |
7,897 | 3,288,970 | Ni14Zr4 | 18 | -122.0446 | -7.146618 |
7,898 | 3,288,970 | Ni14Zr4 | 18 | -121.570519 | -6.672537 |
7,899 | 3,288,970 | Ni14Zr4 | 18 | -121.66254 | -6.764558 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.