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 |
|---|---|---|---|---|---|
10,446,700 | 4,445,527 | Cu2Rh2 | 4 | -18.773548 | 4.158548 |
10,446,701 | 4,453,286 | Br6Ti6 | 12 | -63.038891 | 4.219767 |
10,446,702 | 4,453,286 | Br6Ti6 | 12 | -63.038885 | 4.219774 |
10,446,703 | 4,453,358 | Au8Ti8 | 16 | -88.715005 | 4.450913 |
10,446,704 | 4,453,358 | Au8Ti8 | 16 | -86.875129 | 6.290789 |
10,446,705 | 4,453,358 | Au8Ti8 | 16 | -88.572135 | 4.593783 |
10,446,706 | 4,453,358 | Au8Ti8 | 16 | -88.194746 | 4.971172 |
10,446,707 | 4,453,358 | Au8Ti8 | 16 | -88.074542 | 5.091376 |
10,446,708 | 4,455,959 | Sc6W6 | 12 | -111.740509 | -2.514565 |
10,446,709 | 4,455,959 | Sc6W6 | 12 | -111.740509 | -2.514565 |
10,446,710 | 4,456,038 | Sb8Sc8 | 16 | -90.01634 | -2.609865 |
10,446,711 | 4,456,038 | Sb8Sc8 | 16 | -90.01634 | -2.609865 |
10,446,712 | 4,445,508 | Cu16Re16 | 32 | -236.28072 | 6.982564 |
10,446,713 | 4,445,508 | Cu16Re16 | 32 | -236.278781 | 6.984503 |
10,446,714 | 4,456,379 | Ge8Sc8 | 16 | -90.359836 | 2.454512 |
10,446,715 | 4,456,379 | Ge8Sc8 | 16 | -90.359835 | 2.454512 |
10,446,716 | 4,455,997 | Sc6Ta6 | 12 | -74.041535 | 35.585236 |
10,446,717 | 4,455,997 | Sc6Ta6 | 12 | -74.041534 | 35.585237 |
10,446,718 | 4,445,150 | F6Ga6 | 12 | -47.98508 | 2.542076 |
10,446,719 | 4,445,150 | F6Ga6 | 12 | -47.954163 | 2.572993 |
10,446,720 | 4,460,254 | Ga4O4 | 8 | -38.715008 | 4.869802 |
10,446,721 | 4,460,254 | Ga4O4 | 8 | -38.715038 | 4.869772 |
10,446,722 | 4,454,949 | S8Si8 | 16 | -76.790167 | 14.855027 |
10,446,723 | 4,454,949 | S8Si8 | 16 | -76.780141 | 14.865054 |
10,446,724 | 4,443,594 | Ga6Tc6 | 12 | -63.256165 | 15.122224 |
10,446,725 | 4,443,594 | Ga6Tc6 | 12 | -63.257409 | 15.12098 |
10,446,726 | 4,443,187 | Ge8Re8 | 16 | -120.621198 | 11.508077 |
10,446,727 | 4,443,187 | Ge8Re8 | 16 | -120.621093 | 11.508182 |
10,446,728 | 4,443,845 | Ga4Hg4 | 8 | -10.892699 | 2.635897 |
10,446,729 | 4,443,845 | Ga4Hg4 | 8 | -10.892699 | 2.635897 |
10,446,730 | 4,443,685 | Ga4Sn4 | 8 | -26.89417 | 2.641595 |
10,446,731 | 4,443,685 | Ga4Sn4 | 8 | -26.895456 | 2.64031 |
10,446,732 | 4,462,024 | Co4Na4 | 8 | -24.65241 | 8.914954 |
10,446,733 | 4,462,024 | Co4Na4 | 8 | -24.65241 | 8.914954 |
10,446,734 | 4,443,644 | Ga4Ru4 | 8 | -47.436213 | 2.38235 |
10,446,735 | 4,443,644 | Ga4Ru4 | 8 | -47.437087 | 2.381476 |
10,446,736 | 4,457,568 | Os4Ru4 | 8 | -73.41009 | 5.048852 |
10,446,737 | 4,457,568 | Os4Ru4 | 8 | -73.41009 | 5.048852 |
10,446,738 | 4,459,762 | Au8Os8 | 16 | -105.567601 | 4.399673 |
10,446,739 | 4,459,762 | Au8Os8 | 16 | -105.56685 | 4.400423 |
10,446,740 | 4,452,173 | Os2W2 | 4 | -43.374438 | 0.862922 |
10,446,741 | 4,452,173 | Os2W2 | 4 | -43.374438 | 0.862922 |
10,446,742 | 4,455,623 | Os4Se4 | 8 | -49.729167 | 11.358212 |
10,446,743 | 4,455,623 | Os4Se4 | 8 | -49.722646 | 11.364734 |
10,446,744 | 4,443,523 | Ga8Zr8 | 16 | -77.67058 | 19.355385 |
10,446,745 | 4,443,523 | Ga8Zr8 | 16 | -77.670301 | 19.355664 |
10,446,746 | 4,444,537 | F4Zr4 | 8 | -53.995184 | 1.813035 |
10,446,747 | 4,444,537 | F4Zr4 | 8 | -53.995284 | 1.812935 |
10,446,748 | 4,454,899 | Si8Sn8 | 16 | -70.022179 | 10.623798 |
10,446,749 | 4,454,899 | Si8Sn8 | 16 | -70.008548 | 10.637429 |
10,446,750 | 4,443,531 | Ga6Zr6 | 12 | -74.990062 | -2.220588 |
10,446,751 | 4,443,531 | Ga6Zr6 | 12 | -74.990061 | -2.220588 |
10,446,752 | 4,459,389 | Hg16P16 | 32 | -81.539265 | 17.621674 |
10,446,753 | 4,459,389 | Hg16P16 | 32 | -81.529395 | 17.631545 |
10,446,754 | 4,443,320 | Ge6In6 | 12 | -39.405545 | 7.384884 |
10,446,755 | 4,443,320 | Ge6In6 | 12 | -39.404506 | 7.385923 |
10,446,756 | 4,451,071 | Cd4Zr4 | 8 | -34.951356 | 3.604878 |
10,446,757 | 4,451,071 | Cd4Zr4 | 8 | -34.951356 | 3.604878 |
10,446,758 | 4,452,543 | Hg4V4 | 8 | -29.67068 | 5.989815 |
10,446,759 | 4,452,543 | Hg4V4 | 8 | -29.668695 | 5.9918 |
10,446,760 | 4,466,197 | In6W6 | 12 | -87.112182 | -0.706569 |
10,446,761 | 4,466,197 | In6W6 | 12 | -87.112182 | -0.706569 |
10,446,762 | 4,460,838 | In6Ni6 | 12 | -51.632082 | -1.080215 |
10,446,763 | 4,460,838 | In6Ni6 | 12 | -51.632082 | -1.080215 |
10,446,764 | 4,466,439 | Bi16In16 | 32 | -99.4306 | 7.734962 |
10,446,765 | 4,466,439 | Bi16In16 | 32 | -99.423656 | 7.741906 |
10,446,766 | 4,454,837 | Si8Te8 | 16 | -63.308068 | 16.038497 |
10,446,767 | 4,454,837 | Si8Te8 | 16 | -63.27404 | 16.072524 |
10,446,768 | 4,455,038 | Rh8Si8 | 16 | -104.107223 | 5.623872 |
10,446,769 | 4,455,038 | Rh8Si8 | 16 | -104.107199 | 5.623896 |
10,446,770 | 4,457,665 | Ba6Ru6 | 12 | -61.787977 | 8.990432 |
10,446,771 | 4,457,665 | Ba6Ru6 | 12 | -61.787977 | 8.990432 |
10,446,772 | 4,458,827 | I6Pd6 | 12 | -39.473648 | 7.841121 |
10,446,773 | 4,458,827 | I6Pd6 | 12 | -39.473624 | 7.841144 |
10,446,774 | 4,458,778 | Pb6Pd6 | 12 | -50.32027 | 4.230308 |
10,446,775 | 4,458,778 | Pb6Pd6 | 12 | -50.306083 | 4.244495 |
10,446,776 | 4,450,719 | ArO6Zn6 | 13 | -53.102114 | -3.804507 |
10,446,777 | 4,450,719 | ArO6Zn6 | 13 | -53.102114 | -3.804507 |
10,446,778 | 4,448,801 | As8Ca8 | 16 | -60.744065 | 1.906632 |
10,446,779 | 4,448,801 | As8Ca8 | 16 | -60.58031 | 2.070387 |
10,446,780 | 4,448,801 | As8Ca8 | 16 | -60.358737 | 2.29196 |
10,446,781 | 4,448,801 | As8Ca8 | 16 | -60.5764 | 2.074296 |
10,446,782 | 4,448,801 | As8Ca8 | 16 | -60.474048 | 2.176649 |
10,446,783 | 4,447,317 | Cl4Ta4 | 8 | -46.319483 | 13.885572 |
10,446,784 | 4,447,317 | Cl4Ta4 | 8 | -46.319249 | 13.885807 |
10,446,785 | 4,458,740 | Pd4Ta4 | 8 | -64.329217 | 4.7406 |
10,446,786 | 4,458,740 | Pd4Ta4 | 8 | -64.328232 | 4.741585 |
10,446,787 | 4,463,224 | Bi4Mo4 | 8 | -49.854313 | 5.122705 |
10,446,788 | 4,463,224 | Bi4Mo4 | 8 | -49.850275 | 5.126743 |
10,446,789 | 4,445,468 | Cu8Ta8 | 16 | -121.802896 | 1.971954 |
10,446,790 | 4,445,468 | Cu8Ta8 | 16 | -121.525893 | 2.248957 |
10,446,791 | 4,458,935 | Bi4Pb4 | 8 | -28.483993 | 1.547255 |
10,446,792 | 4,458,935 | Bi4Pb4 | 8 | -28.485019 | 1.546229 |
10,446,793 | 4,443,129 | Ge6Sn6 | 12 | -49.496034 | 5.359639 |
10,446,794 | 4,443,129 | Ge6Sn6 | 12 | -49.496034 | 5.359639 |
10,446,795 | 4,444,161 | Fe6Ru6 | 12 | -104.665338 | -2.979708 |
10,446,796 | 4,444,161 | Fe6Ru6 | 12 | -104.665329 | -2.979699 |
10,446,797 | 4,444,324 | Fe6Os6 | 12 | -98.679087 | 10.823567 |
10,446,798 | 4,444,324 | Fe6Os6 | 12 | -98.679077 | 10.823577 |
10,446,799 | 4,447,259 | Cl4W4 | 8 | -51.169363 | 8.768474 |
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