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 |
|---|---|---|---|---|---|
9,800 | 3,287,912 | Ag4Te6 | 10 | -29.171204 | 3.661617 |
9,801 | 3,287,912 | Ag4Te6 | 10 | -29.064241 | 3.76858 |
9,802 | 3,287,912 | Ag4Te6 | 10 | -28.966798 | 3.866023 |
9,803 | 3,293,671 | Ag2Te2 | 4 | -12.00379 | 0.489798 |
9,804 | 3,293,671 | Ag2Te2 | 4 | -11.997192 | 0.496395 |
9,805 | 3,292,862 | Ag6Te5 | 11 | -32.208125 | 1.349816 |
9,806 | 3,292,862 | Ag6Te5 | 11 | -32.182418 | 1.375522 |
9,807 | 3,289,689 | Ag8Te6 | 14 | -41.244665 | 0.88404 |
9,808 | 3,289,689 | Ag8Te6 | 14 | -41.216811 | 0.911894 |
9,809 | 3,293,210 | Ag7Te5 | 12 | -35.418523 | 0.463388 |
9,810 | 3,293,210 | Ag7Te5 | 12 | -35.395031 | 0.48688 |
9,811 | 3,288,377 | Ag10Te4 | 14 | -40.798333 | -1.867332 |
9,812 | 3,288,377 | Ag10Te4 | 14 | -40.639518 | -1.708518 |
9,813 | 3,288,377 | Ag10Te4 | 14 | -40.494045 | -1.563045 |
9,814 | 3,288,377 | Ag10Te4 | 14 | -40.3477 | -1.416699 |
9,815 | 3,288,377 | Ag10Te4 | 14 | -40.201355 | -1.270354 |
9,816 | 3,288,377 | Ag10Te4 | 14 | -40.10863 | -1.177629 |
9,817 | 3,289,949 | Ag3Te4 | 7 | -20.535199 | 2.128005 |
9,818 | 3,289,949 | Ag3Te4 | 7 | -20.527288 | 2.135917 |
9,819 | 3,290,157 | Hf3N4 | 7 | -74.24753 | -7.299414 |
9,820 | 3,290,157 | Hf3N4 | 7 | -74.232295 | -7.284179 |
9,821 | 3,294,028 | Hf2N2 | 4 | -42.164064 | -3.621045 |
9,822 | 3,294,028 | Hf2N2 | 4 | -42.158407 | -3.615388 |
9,823 | 3,286,492 | Na17Rb2 | 19 | -23.973083 | 7.042071 |
9,824 | 3,286,492 | Na17Rb2 | 19 | -23.771074 | 7.244081 |
9,825 | 3,286,492 | Na17Rb2 | 19 | -23.580637 | 7.434517 |
9,826 | 3,291,286 | Co7V3 | 10 | -78.661377 | -5.051549 |
9,827 | 3,291,286 | Co7V3 | 10 | -78.602246 | -4.992418 |
9,828 | 3,291,821 | Co8V3 | 11 | -78.387525 | 1.952992 |
9,829 | 3,291,821 | Co8V3 | 11 | -78.246793 | 2.093725 |
9,830 | 3,291,821 | Co8V3 | 11 | -78.110302 | 2.230216 |
9,831 | 3,291,821 | Co8V3 | 11 | -77.996023 | 2.344494 |
9,832 | 3,291,821 | Co8V3 | 11 | -77.843475 | 2.497043 |
9,833 | 3,291,821 | Co8V3 | 11 | -77.725528 | 2.614989 |
9,834 | 3,291,821 | Co8V3 | 11 | -77.56953 | 2.770988 |
9,835 | 3,298,413 | Co4V | 5 | -37.705624 | -1.951199 |
9,836 | 3,298,413 | Co4V | 5 | -37.599543 | -1.845118 |
9,837 | 3,298,413 | Co4V | 5 | -37.598029 | -1.843603 |
9,838 | 3,297,461 | Tl2Zr8 | 10 | -71.933019 | 2.953496 |
9,839 | 3,297,461 | Tl2Zr8 | 10 | -71.926757 | 2.959759 |
9,840 | 3,296,767 | I3K | 4 | -8.106404 | 0.372464 |
9,841 | 3,296,767 | I3K | 4 | -8.106404 | 0.372465 |
9,842 | 3,285,796 | Cu13P2 | 15 | -63.878779 | -2.963515 |
9,843 | 3,285,796 | Cu13P2 | 15 | -63.708765 | -2.7935 |
9,844 | 3,285,796 | Cu13P2 | 15 | -63.445194 | -2.529929 |
9,845 | 3,297,291 | Cu2P8 | 10 | -51.626155 | 4.776975 |
9,846 | 3,297,291 | Cu2P8 | 10 | -51.603361 | 4.799769 |
9,847 | 3,286,942 | Ir8Ru12 | 20 | -175.152053 | 6.442272 |
9,848 | 3,286,942 | Ir8Ru12 | 20 | -175.142571 | 6.451754 |
9,849 | 3,298,526 | IrRu4 | 5 | -42.592766 | 2.996397 |
9,850 | 3,298,526 | IrRu4 | 5 | -42.592832 | 2.996332 |
9,851 | 3,298,162 | Ir4Ru | 5 | -44.818714 | 0.198704 |
9,852 | 3,298,162 | Ir4Ru | 5 | -44.818712 | 0.198705 |
9,853 | 3,292,736 | Ir6Ru5 | 11 | -97.760907 | 1.81104 |
9,854 | 3,292,736 | Ir6Ru5 | 11 | -97.736967 | 1.83498 |
9,855 | 3,295,141 | Ir4Ru8 | 12 | -109.555526 | -0.446466 |
9,856 | 3,295,141 | Ir4Ru8 | 12 | -109.549534 | -0.440473 |
9,857 | 3,290,326 | Ir5Ru3 | 8 | -72.33925 | -0.044567 |
9,858 | 3,290,326 | Ir5Ru3 | 8 | -72.337918 | -0.043235 |
9,859 | 3,289,101 | Ag7Zn2 | 9 | -22.500636 | -3.637538 |
9,860 | 3,289,101 | Ag7Zn2 | 9 | -22.504346 | -3.641247 |
9,861 | 3,287,952 | Ge6Sm4 | 10 | -53.67605 | -4.641986 |
9,862 | 3,287,952 | Ge6Sm4 | 10 | -53.67641 | -4.642346 |
9,863 | 3,288,390 | Ag10Zn4 | 14 | -33.823929 | -5.393615 |
9,864 | 3,288,390 | Ag10Zn4 | 14 | -33.858596 | -5.428282 |
9,865 | 3,287,136 | Ag8Zn12 | 20 | -37.822356 | -3.658774 |
9,866 | 3,287,136 | Ag8Zn12 | 20 | -37.815301 | -3.651719 |
9,867 | 3,295,058 | Ge2Sm4 | 6 | -31.443089 | -2.638476 |
9,868 | 3,295,058 | Ge2Sm4 | 6 | -31.443055 | -2.638441 |
9,869 | 3,289,225 | Ag3Zn13 | 16 | -24.972376 | -1.130997 |
9,870 | 3,289,225 | Ag3Zn13 | 16 | -24.955305 | -1.113925 |
9,871 | 3,298,639 | Ag10Zn2 | 12 | -31.015242 | -5.18023 |
9,872 | 3,298,639 | Ag10Zn2 | 12 | -31.021638 | -5.186627 |
9,873 | 3,295,448 | Pb2Rb4 | 6 | -11.771545 | 0.881633 |
9,874 | 3,295,448 | Pb2Rb4 | 6 | -11.760586 | 0.892591 |
9,875 | 3,299,120 | Pb5Rb | 6 | -19.763841 | -0.621017 |
9,876 | 3,299,120 | Pb5Rb | 6 | -19.725042 | -0.582219 |
9,877 | 3,299,497 | Pb6Rb | 7 | -21.438002 | 1.255828 |
9,878 | 3,299,497 | Pb6Rb | 7 | -21.412693 | 1.281137 |
9,879 | 3,291,086 | Ag3Zn7 | 10 | -14.9356 | 1.119872 |
9,880 | 3,291,086 | Ag3Zn7 | 10 | -14.928067 | 1.127405 |
9,881 | 3,299,468 | AgZn6 | 7 | -5.589652 | 4.520227 |
9,882 | 3,299,468 | AgZn6 | 7 | -5.569918 | 4.53996 |
9,883 | 3,291,183 | Ag7Hg3 | 10 | -20.463563 | -3.945396 |
9,884 | 3,291,183 | Ag7Hg3 | 10 | -20.421519 | -3.903351 |
9,885 | 3,298,518 | La4Sc | 5 | -25.833252 | 1.309797 |
9,886 | 3,298,518 | La4Sc | 5 | -25.828856 | 1.314193 |
9,887 | 3,296,841 | In6Ir2 | 8 | -35.261042 | -0.884055 |
9,888 | 3,296,841 | In6Ir2 | 8 | -35.256975 | -0.879988 |
9,889 | 3,298,562 | In4Ir | 5 | -19.77417 | 0.155365 |
9,890 | 3,298,562 | In4Ir | 5 | -19.771488 | 0.158047 |
9,891 | 3,289,233 | Ag13Hg3 | 16 | -37.481193 | -7.019201 |
9,892 | 3,289,233 | Ag13Hg3 | 16 | -37.326255 | -6.864263 |
9,893 | 3,299,343 | LaSc5 | 6 | -36.150319 | 1.721489 |
9,894 | 3,299,343 | LaSc5 | 6 | -36.111842 | 1.759966 |
9,895 | 3,297,039 | La3Sc9 | 12 | -70.973487 | 3.375353 |
9,896 | 3,297,039 | La3Sc9 | 12 | -70.908081 | 3.440759 |
9,897 | 3,297,887 | Cd2Sr8 | 10 | -15.758354 | 4.523055 |
9,898 | 3,297,887 | Cd2Sr8 | 10 | -15.744685 | 4.536724 |
9,899 | 3,289,345 | Hg13La3 | 16 | -23.687546 | -7.153639 |
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