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 |
|---|---|---|---|---|---|
7,700 | 3,297,843 | Ru2Zr8 | 10 | -87.717987 | 1.230342 |
7,701 | 3,286,233 | Ti13Tl2 | 15 | -99.35002 | 13.562088 |
7,702 | 3,286,233 | Ti13Tl2 | 15 | -99.345912 | 13.566196 |
7,703 | 3,298,390 | Ti4Tl | 5 | -33.776291 | 1.78322 |
7,704 | 3,298,390 | Ti4Tl | 5 | -33.775448 | 1.784063 |
7,705 | 3,293,522 | K2Rb2 | 4 | -4.109533 | 1.553558 |
7,706 | 3,293,522 | K2Rb2 | 4 | -4.106921 | 1.55617 |
7,707 | 3,290,366 | K5Rb3 | 8 | -8.347139 | 3.035005 |
7,708 | 3,290,366 | K5Rb3 | 8 | -8.343419 | 3.038725 |
7,709 | 3,291,946 | K5Rb4 | 9 | -9.300296 | 3.46964 |
7,710 | 3,291,946 | K5Rb4 | 9 | -9.295272 | 3.474664 |
7,711 | 3,296,307 | Au2Cs6 | 8 | -13.045207 | 1.873908 |
7,712 | 3,296,307 | Au2Cs6 | 8 | -13.023639 | 1.895476 |
7,713 | 3,291,961 | Ge4Na5 | 9 | -25.563247 | 2.97196 |
7,714 | 3,291,961 | Ge4Na5 | 9 | -25.561063 | 2.974144 |
7,715 | 3,287,416 | Ge6Na4 | 10 | -31.979358 | 5.009423 |
7,716 | 3,287,416 | Ge6Na4 | 10 | -31.870176 | 5.118606 |
7,717 | 3,287,416 | Ge6Na4 | 10 | -31.773743 | 5.215039 |
7,718 | 3,295,432 | Ge2Na4 | 6 | -14.835536 | 1.923795 |
7,719 | 3,295,432 | Ge2Na4 | 6 | -14.833592 | 1.925738 |
7,720 | 3,292,938 | Na6Tl5 | 11 | -20.383532 | 0.208588 |
7,721 | 3,292,938 | Na6Tl5 | 11 | -20.319257 | 0.272863 |
7,722 | 3,291,228 | Na6Tl14 | 20 | -41.695208 | -1.977706 |
7,723 | 3,291,228 | Na6Tl14 | 20 | -41.690456 | -1.972954 |
7,724 | 3,292,117 | Na4Tl5 | 9 | -18.08022 | -0.810402 |
7,725 | 3,292,117 | Na4Tl5 | 9 | -18.058637 | -0.788819 |
7,726 | 3,289,273 | Na3Tl13 | 16 | -35.456184 | -2.847178 |
7,727 | 3,289,273 | Na3Tl13 | 16 | -35.469772 | -2.860766 |
7,728 | 3,285,954 | Na2Tl13 | 15 | -31.898154 | -0.9503 |
7,729 | 3,285,954 | Na2Tl13 | 15 | -31.916138 | -0.968283 |
7,730 | 3,300,185 | Na8Tl | 9 | -13.19395 | 2.220303 |
7,731 | 3,300,185 | Na8Tl | 9 | -12.540765 | 2.873488 |
7,732 | 3,300,185 | Na8Tl | 9 | -13.088132 | 2.326121 |
7,733 | 3,287,158 | Na2Tl3 | 5 | -9.54344 | 0.15399 |
7,734 | 3,287,158 | Na2Tl3 | 5 | -9.534353 | 0.163077 |
7,735 | 3,294,535 | Na4Tl2 | 6 | -10.50984 | 0.38485 |
7,736 | 3,294,535 | Na4Tl2 | 6 | -10.466152 | 0.428538 |
7,737 | 3,291,396 | Na14Tl6 | 20 | -33.910543 | 2.09583 |
7,738 | 3,291,396 | Na14Tl6 | 20 | -33.716551 | 2.289822 |
7,739 | 3,289,979 | Na6Tl8 | 14 | -28.141823 | -1.174576 |
7,740 | 3,289,979 | Na6Tl8 | 14 | -28.110331 | -1.143084 |
7,741 | 3,295,907 | Os4Ru2 | 6 | -63.448944 | -3.3019 |
7,742 | 3,295,907 | Os4Ru2 | 6 | -63.724756 | -3.577712 |
7,743 | 3,295,907 | Os4Ru2 | 6 | -63.648586 | -3.501542 |
7,744 | 3,295,907 | Os4Ru2 | 6 | -33.964284 | 26.18276 |
7,745 | 3,287,061 | Os4Ru6 | 10 | -93.719147 | 3.051693 |
7,746 | 3,287,061 | Os4Ru6 | 10 | -93.708095 | 3.062745 |
7,747 | 3,285,869 | Ga13Mo2 | 15 | -60.19254 | 2.265352 |
7,748 | 3,285,869 | Ga13Mo2 | 15 | -60.18129 | 2.276601 |
7,749 | 3,291,383 | Pd6Zn14 | 20 | -54.267716 | -2.856058 |
7,750 | 3,291,383 | Pd6Zn14 | 20 | -54.267703 | -2.856045 |
7,751 | 3,291,715 | Pd8Zn3 | 11 | -45.009556 | 3.209451 |
7,752 | 3,291,715 | Pd8Zn3 | 11 | -45.013353 | 3.205654 |
7,753 | 3,299,755 | PdZn7 | 8 | -15.353164 | -0.728849 |
7,754 | 3,299,755 | PdZn7 | 8 | -15.343087 | -0.718772 |
7,755 | 3,300,533 | PdZn8 | 9 | -16.461417 | -0.53945 |
7,756 | 3,300,533 | PdZn8 | 9 | -16.448719 | -0.526752 |
7,757 | 3,290,207 | Pd8Zn6 | 14 | -56.208578 | -4.096617 |
7,758 | 3,290,207 | Pd8Zn6 | 14 | -56.208876 | -4.096915 |
7,759 | 3,297,365 | Pd8Zn2 | 10 | -46.17257 | 0.748786 |
7,760 | 3,297,365 | Pd8Zn2 | 10 | -46.17559 | 0.745766 |
7,761 | 3,287,328 | Pd2Zn3 | 5 | -16.387894 | -1.413427 |
7,762 | 3,287,328 | Pd2Zn3 | 5 | -16.38674 | -1.412273 |
7,763 | 3,289,962 | Pd3Zn4 | 7 | -24.041646 | -2.228771 |
7,764 | 3,289,962 | Pd3Zn4 | 7 | -24.04 | -2.227125 |
7,765 | 3,296,046 | Pd12Zn4 | 16 | -71.694086 | -0.014401 |
7,766 | 3,296,046 | Pd12Zn4 | 16 | -71.698081 | -0.018396 |
7,767 | 3,297,488 | Al2Pd8 | 10 | -51.599173 | 1.001601 |
7,768 | 3,297,488 | Al2Pd8 | 10 | -51.580285 | 1.020488 |
7,769 | 3,287,493 | Al4Pd6 | 10 | -51.845048 | -2.051067 |
7,770 | 3,287,493 | Al4Pd6 | 10 | -51.833838 | -2.039857 |
7,771 | 3,288,596 | Al4Pd10 | 14 | -76.236686 | -4.279679 |
7,772 | 3,288,596 | Al4Pd10 | 14 | -76.216652 | -4.259644 |
7,773 | 3,289,867 | La4Nd3 | 7 | -33.902388 | 0.889546 |
7,774 | 3,289,867 | La4Nd3 | 7 | -33.902141 | 0.889792 |
7,775 | 3,292,190 | La4Nd5 | 9 | -43.39292 | 0.861223 |
7,776 | 3,292,190 | La4Nd5 | 9 | -43.392567 | 0.861576 |
7,777 | 3,290,441 | La5Nd3 | 8 | -38.794245 | 1.147342 |
7,778 | 3,290,441 | La5Nd3 | 8 | -38.794085 | 1.147503 |
7,779 | 3,289,121 | La7Nd2 | 9 | -43.736921 | 1.77287 |
7,780 | 3,289,121 | La7Nd2 | 9 | -43.736935 | 1.772857 |
7,781 | 3,293,345 | La7Nd5 | 12 | -56.78825 | 2.914857 |
7,782 | 3,293,345 | La7Nd5 | 12 | -56.787629 | 2.915478 |
7,783 | 3,293,037 | La6Nd5 | 11 | -52.303526 | 2.249927 |
7,784 | 3,293,037 | La6Nd5 | 11 | -52.302945 | 2.250508 |
7,785 | 3,290,442 | La3Nd5 | 8 | -38.472438 | 0.63205 |
7,786 | 3,290,442 | La3Nd5 | 8 | -38.471885 | 0.632603 |
7,787 | 3,289,346 | La3Nd13 | 16 | -76.529747 | 0.423581 |
7,788 | 3,289,346 | La3Nd13 | 16 | -76.529781 | 0.423548 |
7,789 | 3,293,536 | La2Nd2 | 4 | -19.323411 | 0.438108 |
7,790 | 3,293,536 | La2Nd2 | 4 | -19.323187 | 0.438332 |
7,791 | 3,291,841 | La3Nd8 | 11 | -48.493293 | 4.80451 |
7,792 | 3,291,841 | La3Nd8 | 11 | -48.492355 | 4.805449 |
7,793 | 3,286,854 | La3Nd2 | 5 | -24.244909 | 0.666265 |
7,794 | 3,286,854 | La3Nd2 | 5 | -24.244718 | 0.666456 |
7,795 | 3,291,433 | Nb14Tc6 | 20 | -201.324637 | -2.169842 |
7,796 | 3,291,433 | Nb14Tc6 | 20 | -201.321785 | -2.16699 |
7,797 | 3,297,608 | LaNd4 | 5 | -23.921761 | 0.152314 |
7,798 | 3,297,608 | LaNd4 | 5 | -23.918067 | 0.156007 |
7,799 | 3,293,036 | La5Nd6 | 11 | -51.905204 | 2.229699 |
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