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 |
|---|---|---|---|---|---|
9,700 | 3,289,691 | Rh6Te8 | 14 | -74.406663 | 3.301256 |
9,701 | 3,288,177 | Ge4Pm10 | 14 | -73.16189 | -5.176243 |
9,702 | 3,288,177 | Ge4Pm10 | 14 | -73.161984 | -5.176337 |
9,703 | 3,293,239 | Ga7V5 | 12 | -67.519055 | -0.269879 |
9,704 | 3,293,239 | Ga7V5 | 12 | -67.488637 | -0.239462 |
9,705 | 3,297,344 | Ga2V8 | 10 | -76.207002 | 1.043714 |
9,706 | 3,297,344 | Ga2V8 | 10 | -76.37096 | 0.879756 |
9,707 | 3,297,344 | Ga2V8 | 10 | -75.516759 | 1.733956 |
9,708 | 3,297,344 | Ga2V8 | 10 | -75.192191 | 2.058525 |
9,709 | 3,289,247 | Ga3V13 | 16 | -129.040219 | -4.332479 |
9,710 | 3,289,247 | Ga3V13 | 16 | -129.016988 | -4.309248 |
9,711 | 3,292,907 | Ga5V6 | 11 | -69.518928 | -0.03547 |
9,712 | 3,292,907 | Ga5V6 | 11 | -69.504314 | -0.020855 |
9,713 | 3,292,908 | Ga6V5 | 11 | -63.400931 | 0.549553 |
9,714 | 3,292,908 | Ga6V5 | 11 | -63.390184 | 0.5603 |
9,715 | 3,291,197 | Ga3V7 | 10 | -74.519193 | -2.801452 |
9,716 | 3,291,197 | Ga3V7 | 10 | -74.506534 | -2.788793 |
9,717 | 3,285,875 | Ga2V13 | 15 | -116.194281 | 5.214768 |
9,718 | 3,285,875 | Ga2V13 | 15 | -116.159508 | 5.24954 |
9,719 | 3,293,687 | Ga2V2 | 4 | -24.926965 | -0.666248 |
9,720 | 3,293,687 | Ga2V2 | 4 | -24.922196 | -0.661479 |
9,721 | 3,286,974 | Ga8V12 | 20 | -133.999402 | -1.629869 |
9,722 | 3,286,974 | Ga8V12 | 20 | -133.984162 | -1.614629 |
9,723 | 3,297,235 | Cd2Pd8 | 10 | -43.232268 | 2.712794 |
9,724 | 3,297,235 | Cd2Pd8 | 10 | -43.231646 | 2.713416 |
9,725 | 3,295,854 | Au4Ge2 | 6 | -21.967268 | 1.295948 |
9,726 | 3,295,854 | Au4Ge2 | 6 | -21.967117 | 1.296099 |
9,727 | 3,286,178 | Al2Er13 | 15 | -67.15663 | -1.001652 |
9,728 | 3,286,178 | Al2Er13 | 15 | -67.155983 | -1.001005 |
9,729 | 3,296,204 | Co4Ti12 | 16 | -126.219954 | 1.006211 |
9,730 | 3,296,204 | Co4Ti12 | 16 | -126.399959 | 0.826206 |
9,731 | 3,296,204 | Co4Ti12 | 16 | -103.861607 | 23.364558 |
9,732 | 3,285,860 | Au2Ga13 | 15 | -46.504121 | 2.953118 |
9,733 | 3,285,860 | Au2Ga13 | 15 | -46.494552 | 2.962687 |
9,734 | 3,288,125 | Au6Ge4 | 10 | -37.579626 | 2.372561 |
9,735 | 3,288,125 | Au6Ge4 | 10 | -37.578987 | 2.373199 |
9,736 | 3,289,531 | Au6Cs8 | 14 | -30.626664 | 0.222565 |
9,737 | 3,289,531 | Au6Cs8 | 14 | -30.567357 | 0.281872 |
9,738 | 3,288,129 | Pt4Sb6 | 10 | -52.800164 | -0.100882 |
9,739 | 3,288,129 | Pt4Sb6 | 10 | -52.793911 | -0.094628 |
9,740 | 3,286,244 | Pt13Sb2 | 15 | -84.785345 | 9.813197 |
9,741 | 3,286,244 | Pt13Sb2 | 15 | -84.749783 | 9.848759 |
9,742 | 3,287,816 | Ga4Se6 | 10 | -37.896208 | 4.17691 |
9,743 | 3,287,816 | Ga4Se6 | 10 | -37.886836 | 4.186282 |
9,744 | 3,291,460 | Os6Zr14 | 20 | -191.915313 | -5.54884 |
9,745 | 3,291,460 | Os6Zr14 | 20 | -191.90111 | -5.534637 |
9,746 | 3,292,220 | Dy5Sm4 | 9 | -41.728481 | -0.608221 |
9,747 | 3,292,220 | Dy5Sm4 | 9 | -41.725577 | -0.605317 |
9,748 | 3,298,070 | Os2Zr8 | 10 | -91.345395 | 0.208608 |
9,749 | 3,298,070 | Os2Zr8 | 10 | -91.341526 | 0.212477 |
9,750 | 3,288,247 | Ag4F10 | 14 | -44.795824 | 15.725069 |
9,751 | 3,288,247 | Ag4F10 | 14 | -44.539127 | 15.981766 |
9,752 | 3,288,247 | Ag4F10 | 14 | -44.368292 | 16.1526 |
9,753 | 3,288,247 | Ag4F10 | 14 | -44.059883 | 16.461009 |
9,754 | 3,288,247 | Ag4F10 | 14 | -43.91779 | 16.603102 |
9,755 | 3,288,247 | Ag4F10 | 14 | -43.765386 | 16.755507 |
9,756 | 3,288,247 | Ag4F10 | 14 | -43.584535 | 16.936357 |
9,757 | 3,288,247 | Ag4F10 | 14 | -43.208396 | 17.312496 |
9,758 | 3,289,446 | Ag3F4 | 7 | -23.212174 | 4.249742 |
9,759 | 3,289,446 | Ag3F4 | 7 | -23.117811 | 4.344105 |
9,760 | 3,289,446 | Ag3F4 | 7 | -22.902155 | 4.559761 |
9,761 | 3,296,495 | Ag2F6 | 8 | -22.842052 | 12.540895 |
9,762 | 3,296,495 | Ag2F6 | 8 | -22.754798 | 12.628149 |
9,763 | 3,296,495 | Ag2F6 | 8 | -22.658328 | 12.724619 |
9,764 | 3,296,495 | Ag2F6 | 8 | -22.462757 | 12.920191 |
9,765 | 3,296,495 | Ag2F6 | 8 | -22.307126 | 13.075821 |
9,766 | 3,296,495 | Ag2F6 | 8 | -22.207333 | 13.175614 |
9,767 | 3,296,495 | Ag2F6 | 8 | -21.782665 | 13.600283 |
9,768 | 3,292,739 | Ag5F6 | 11 | -36.629534 | 5.725326 |
9,769 | 3,292,739 | Ag5F6 | 11 | -36.515283 | 5.839577 |
9,770 | 3,292,739 | Ag5F6 | 11 | -36.179736 | 6.175124 |
9,771 | 3,288,654 | Rh4Zr10 | 14 | -120.343494 | -1.164398 |
9,772 | 3,288,654 | Rh4Zr10 | 14 | -120.335977 | -1.156882 |
9,773 | 3,291,451 | Rh6Zr14 | 20 | -173.482729 | -3.54364 |
9,774 | 3,291,451 | Rh6Zr14 | 20 | -173.47284 | -3.53375 |
9,775 | 3,296,025 | Cd6Pd2 | 8 | -17.50134 | -1.562799 |
9,776 | 3,296,025 | Cd6Pd2 | 8 | -17.482235 | -1.543695 |
9,777 | 3,299,599 | Au6Pd | 7 | -24.785367 | 0.478125 |
9,778 | 3,299,599 | Au6Pd | 7 | -25.092611 | 0.170882 |
9,779 | 3,299,599 | Au6Pd | 7 | -24.970333 | 0.29316 |
9,780 | 3,299,599 | Au6Pd | 7 | -24.873325 | 0.390168 |
9,781 | 3,299,599 | Au6Pd | 7 | -24.777542 | 0.485951 |
9,782 | 3,299,599 | Au6Pd | 7 | -24.694955 | 0.568537 |
9,783 | 3,299,599 | Au6Pd | 7 | -24.557872 | 0.70562 |
9,784 | 3,299,599 | Au6Pd | 7 | -24.369708 | 0.893784 |
9,785 | 3,299,599 | Au6Pd | 7 | -24.27682 | 0.986673 |
9,786 | 3,299,599 | Au6Pd | 7 | -23.12957 | 2.133923 |
9,787 | 3,299,599 | Au6Pd | 7 | -23.601117 | 1.662376 |
9,788 | 3,299,599 | Au6Pd | 7 | -17.580918 | 7.682574 |
9,789 | 3,299,599 | Au6Pd | 7 | -16.705332 | 8.558161 |
9,790 | 3,299,599 | Au6Pd | 7 | -8.764782 | 16.498711 |
9,791 | 3,299,599 | Au6Pd | 7 | -6.714753 | 18.54874 |
9,792 | 3,289,373 | Pr13Sm3 | 16 | -76.142498 | -0.803755 |
9,793 | 3,289,373 | Pr13Sm3 | 16 | -76.134403 | -0.795659 |
9,794 | 3,287,923 | As6Ti4 | 10 | -64.856142 | -0.587396 |
9,795 | 3,287,923 | As6Ti4 | 10 | -64.847662 | -0.578915 |
9,796 | 3,287,912 | Ag4Te6 | 10 | -29.599788 | 3.233033 |
9,797 | 3,287,912 | Ag4Te6 | 10 | -29.492067 | 3.340755 |
9,798 | 3,287,912 | Ag4Te6 | 10 | -29.386923 | 3.445898 |
9,799 | 3,287,912 | Ag4Te6 | 10 | -29.276485 | 3.556336 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.