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 |
|---|---|---|---|---|---|
8,700 | 3,296,677 | Co4Dy12 | 16 | -84.805145 | -4.049494 |
8,701 | 3,298,511 | Co8Dy2 | 10 | -66.842464 | -4.024798 |
8,702 | 3,298,511 | Co8Dy2 | 10 | -66.719193 | -3.901526 |
8,703 | 3,298,511 | Co8Dy2 | 10 | -66.611813 | -3.794147 |
8,704 | 3,298,511 | Co8Dy2 | 10 | -66.469765 | -3.652098 |
8,705 | 3,298,511 | Co8Dy2 | 10 | -66.355505 | -3.537838 |
8,706 | 3,287,346 | Pb2Sc3 | 5 | -27.959881 | -1.224576 |
8,707 | 3,287,346 | Pb2Sc3 | 5 | -27.954832 | -1.219527 |
8,708 | 3,297,816 | F4Pt | 5 | -16.573856 | 10.518901 |
8,709 | 3,297,816 | F4Pt | 5 | -16.509399 | 10.583357 |
8,710 | 3,297,816 | F4Pt | 5 | -16.445678 | 10.647078 |
8,711 | 3,297,816 | F4Pt | 5 | -16.317031 | 10.775725 |
8,712 | 3,297,816 | F4Pt | 5 | -16.236372 | 10.856385 |
8,713 | 3,297,816 | F4Pt | 5 | -16.160911 | 10.931845 |
8,714 | 3,297,816 | F4Pt | 5 | -16.07729 | 11.015466 |
8,715 | 3,297,816 | F4Pt | 5 | -15.982272 | 11.110484 |
8,716 | 3,286,245 | Mg2Pt13 | 15 | -78.836939 | 10.474126 |
8,717 | 3,286,245 | Mg2Pt13 | 15 | -78.840688 | 10.470377 |
8,718 | 3,293,525 | Nb2W2 | 4 | -44.601187 | -1.200178 |
8,719 | 3,293,525 | Nb2W2 | 4 | -44.601236 | -1.200227 |
8,720 | 3,289,282 | Nb3W13 | 16 | -199.133307 | -17.432859 |
8,721 | 3,289,282 | Nb3W13 | 16 | -199.13167 | -17.431222 |
8,722 | 3,291,415 | Nb14W6 | 20 | -213.168204 | -2.640288 |
8,723 | 3,291,415 | Nb14W6 | 20 | -213.169964 | -2.642047 |
8,724 | 3,288,554 | Nb10W4 | 14 | -149.808941 | -2.763256 |
8,725 | 3,288,554 | Nb10W4 | 14 | -149.809093 | -2.763408 |
8,726 | 3,291,414 | Nb6W14 | 20 | -231.088298 | -7.606124 |
8,727 | 3,291,414 | Nb6W14 | 20 | -231.788154 | -8.30598 |
8,728 | 3,291,414 | Nb6W14 | 20 | -229.610574 | -6.1284 |
8,729 | 3,291,414 | Nb6W14 | 20 | -138.371111 | 85.111063 |
8,730 | 3,299,675 | HoY7 | 8 | -49.573431 | -0.327333 |
8,731 | 3,299,675 | HoY7 | 8 | -49.57268 | -0.326582 |
8,732 | 3,299,142 | Nb5Zn | 6 | -50.363699 | 1.137008 |
8,733 | 3,299,142 | Nb5Zn | 6 | -50.363676 | 1.137031 |
8,734 | 3,285,714 | Cd2Y13 | 15 | -86.65446 | -1.84393 |
8,735 | 3,285,714 | Cd2Y13 | 15 | -86.646503 | -1.835972 |
8,736 | 3,289,093 | Ho2Y7 | 9 | -54.077293 | -0.38053 |
8,737 | 3,289,093 | Ho2Y7 | 9 | -54.069793 | -0.37303 |
8,738 | 3,300,074 | Ho8Y | 9 | -42.87269 | -0.868027 |
8,739 | 3,300,074 | Ho8Y | 9 | -42.871487 | -0.866824 |
8,740 | 3,290,737 | Li3Pb5 | 8 | -25.588881 | -0.83329 |
8,741 | 3,290,737 | Li3Pb5 | 8 | -25.582175 | -0.826584 |
8,742 | 3,296,885 | Cu9Pu3 | 12 | -80.21505 | -2.918931 |
8,743 | 3,296,885 | Cu9Pu3 | 12 | -80.08228 | -2.786162 |
8,744 | 3,296,885 | Cu9Pu3 | 12 | -79.916112 | -2.619994 |
8,745 | 3,296,885 | Cu9Pu3 | 12 | -79.69944 | -2.403321 |
8,746 | 3,296,885 | Cu9Pu3 | 12 | -79.418911 | -2.122792 |
8,747 | 3,296,885 | Cu9Pu3 | 12 | -78.023525 | -0.727407 |
8,748 | 3,287,446 | Cu6Pu4 | 10 | -81.46557 | -0.87503 |
8,749 | 3,287,446 | Cu6Pu4 | 10 | -81.266601 | -0.676061 |
8,750 | 3,287,446 | Cu6Pu4 | 10 | -81.153794 | -0.563254 |
8,751 | 3,287,446 | Cu6Pu4 | 10 | -80.99687 | -0.40633 |
8,752 | 3,287,446 | Cu6Pu4 | 10 | -80.845606 | -0.255066 |
8,753 | 3,287,446 | Cu6Pu4 | 10 | -80.734981 | -0.144441 |
8,754 | 3,287,446 | Cu6Pu4 | 10 | -80.628608 | -0.038068 |
8,755 | 3,287,446 | Cu6Pu4 | 10 | -80.468178 | 0.122362 |
8,756 | 3,287,446 | Cu6Pu4 | 10 | -79.935193 | 0.655347 |
8,757 | 3,287,446 | Cu6Pu4 | 10 | -76.662573 | 3.927967 |
8,758 | 3,298,275 | Be2V8 | 10 | -77.106644 | 1.175456 |
8,759 | 3,298,275 | Be2V8 | 10 | -76.973622 | 1.308477 |
8,760 | 3,298,275 | Be2V8 | 10 | -76.39652 | 1.88558 |
8,761 | 3,298,275 | Be2V8 | 10 | -77.110664 | 1.171436 |
8,762 | 3,300,257 | BeV8 | 9 | -76.604448 | -2.136732 |
8,763 | 3,300,257 | BeV8 | 9 | -76.604664 | -2.136948 |
8,764 | 3,291,169 | Pd7Te3 | 10 | -48.02315 | 2.530615 |
8,765 | 3,291,169 | Pd7Te3 | 10 | -48.008224 | 2.545542 |
8,766 | 3,298,560 | Na8Pd2 | 10 | -21.042954 | 3.327769 |
8,767 | 3,298,560 | Na8Pd2 | 10 | -20.890116 | 3.480607 |
8,768 | 3,297,298 | Pd8Te2 | 10 | -49.711907 | 2.459792 |
8,769 | 3,297,298 | Pd8Te2 | 10 | -49.69603 | 2.475669 |
8,770 | 3,293,212 | Pd7Te5 | 12 | -55.190402 | 3.209009 |
8,771 | 3,293,212 | Pd7Te5 | 12 | -55.159338 | 3.240073 |
8,772 | 3,296,543 | Pd12Te4 | 16 | -78.650877 | 3.529495 |
8,773 | 3,296,543 | Pd12Te4 | 16 | -78.629644 | 3.550727 |
8,774 | 3,291,673 | Pd8Te3 | 11 | -51.603188 | 4.491335 |
8,775 | 3,291,673 | Pd8Te3 | 11 | -51.584363 | 4.510159 |
8,776 | 3,298,197 | Pd2Te8 | 10 | -36.261746 | 6.202351 |
8,777 | 3,298,197 | Pd2Te8 | 10 | -36.224851 | 6.239246 |
8,778 | 3,292,865 | Pd5Te6 | 11 | -47.951662 | 3.289059 |
8,779 | 3,292,865 | Pd5Te6 | 11 | -47.939539 | 3.301182 |
8,780 | 3,288,379 | Pd10Te4 | 14 | -68.224765 | 2.874093 |
8,781 | 3,288,379 | Pd10Te4 | 14 | -68.187039 | 2.91182 |
8,782 | 3,293,211 | Pd5Te7 | 12 | -50.95192 | 4.211624 |
8,783 | 3,293,211 | Pd5Te7 | 12 | -50.939294 | 4.224251 |
8,784 | 3,289,492 | Pd6Te8 | 14 | -60.861048 | 3.766076 |
8,785 | 3,289,492 | Pd6Te8 | 14 | -60.851352 | 3.775772 |
8,786 | 3,290,944 | Al6Mg10 | 16 | -37.267804 | 4.932756 |
8,787 | 3,290,944 | Al6Mg10 | 16 | -37.234253 | 4.966307 |
8,788 | 3,299,780 | K7Na | 8 | -8.856371 | 2.911059 |
8,789 | 3,299,780 | K7Na | 8 | -8.842293 | 2.925137 |
8,790 | 3,299,836 | AlMg7 | 8 | -14.641936 | 1.658903 |
8,791 | 3,299,836 | AlMg7 | 8 | -14.607016 | 1.693823 |
8,792 | 3,294,977 | Al4Mg8 | 12 | -27.541918 | 2.908642 |
8,793 | 3,294,977 | Al4Mg8 | 12 | -27.513339 | 2.937221 |
8,794 | 3,297,033 | Rb2Te6 | 8 | -24.041224 | 2.271296 |
8,795 | 3,297,033 | Rb2Te6 | 8 | -23.959439 | 2.353082 |
8,796 | 3,297,033 | Rb2Te6 | 8 | -23.923617 | 2.388903 |
8,797 | 3,291,307 | Br14Ge6 | 20 | -58.030018 | 12.230389 |
8,798 | 3,291,307 | Br14Ge6 | 20 | -58.030126 | 12.230281 |
8,799 | 3,287,806 | Br6Ge4 | 10 | -31.390762 | 5.945644 |
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