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 |
|---|---|---|---|---|---|
7,600 | 3,296,416 | Na9Rb3 | 12 | -14.396646 | 4.717089 |
7,601 | 3,293,439 | Na7Rb6 | 13 | -14.791653 | 5.163153 |
7,602 | 3,293,439 | Na7Rb6 | 13 | -14.645596 | 5.30921 |
7,603 | 3,300,149 | NaRb8 | 9 | -8.868107 | 3.895374 |
7,604 | 3,300,149 | NaRb8 | 9 | -8.664917 | 4.098564 |
7,605 | 3,300,149 | NaRb8 | 9 | -8.427592 | 4.335889 |
7,606 | 3,300,149 | NaRb8 | 9 | -7.911069 | 4.852412 |
7,607 | 3,300,149 | NaRb8 | 9 | -5.068829 | 7.694652 |
7,608 | 3,300,149 | NaRb8 | 9 | -3.771485 | 8.991996 |
7,609 | 3,300,149 | NaRb8 | 9 | -3.391705 | 9.371776 |
7,610 | 3,291,707 | Na3Rb8 | 11 | -10.912595 | 5.173188 |
7,611 | 3,291,707 | Na3Rb8 | 11 | -10.856907 | 5.228877 |
7,612 | 3,292,917 | Na5Rb6 | 11 | -11.866861 | 4.765642 |
7,613 | 3,292,917 | Na5Rb6 | 11 | -11.746876 | 4.885628 |
7,614 | 3,292,917 | Na5Rb6 | 11 | -11.628863 | 5.003641 |
7,615 | 3,294,823 | Na2Rb4 | 6 | -6.210773 | 2.662694 |
7,616 | 3,294,823 | Na2Rb4 | 6 | -6.169978 | 2.703489 |
7,617 | 3,298,666 | NaRb5 | 6 | -6.011606 | 2.588502 |
7,618 | 3,298,666 | NaRb5 | 6 | -5.992587 | 2.607521 |
7,619 | 3,289,248 | Na13Rb3 | 16 | -19.369966 | 6.388375 |
7,620 | 3,289,248 | Na13Rb3 | 16 | -19.164448 | 6.593893 |
7,621 | 3,289,248 | Na13Rb3 | 16 | -19.017927 | 6.740413 |
7,622 | 3,296,040 | Na2Rb6 | 8 | -8.03342 | 3.61563 |
7,623 | 3,296,040 | Na2Rb6 | 8 | -7.991012 | 3.658038 |
7,624 | 3,292,090 | Na4Rb5 | 9 | -9.733834 | 3.849727 |
7,625 | 3,292,090 | Na4Rb5 | 9 | -9.653909 | 3.929652 |
7,626 | 3,297,352 | Na2Rb8 | 10 | -9.857755 | 4.566877 |
7,627 | 3,297,352 | Na2Rb8 | 10 | -9.822872 | 4.60176 |
7,628 | 3,289,520 | Na3Rb4 | 7 | -7.469503 | 3.065116 |
7,629 | 3,289,520 | Na3Rb4 | 7 | -7.387948 | 3.14667 |
7,630 | 3,287,448 | Na6Rb4 | 10 | -11.477656 | 4.040417 |
7,631 | 3,287,448 | Na6Rb4 | 10 | -11.335482 | 4.18259 |
7,632 | 3,293,937 | As2Sn2 | 4 | -16.973215 | 1.475377 |
7,633 | 3,293,937 | As2Sn2 | 4 | -16.969848 | 1.478744 |
7,634 | 3,292,601 | As4Sn5 | 9 | -37.832341 | 3.150092 |
7,635 | 3,292,601 | As4Sn5 | 9 | -37.828857 | 3.153576 |
7,636 | 3,292,787 | As6Sn5 | 11 | -47.382653 | 3.877873 |
7,637 | 3,292,787 | As6Sn5 | 11 | -47.379842 | 3.880684 |
7,638 | 3,287,975 | Hg4Zr6 | 10 | -51.056897 | 2.254254 |
7,639 | 3,287,975 | Hg4Zr6 | 10 | -51.055581 | 2.255571 |
7,640 | 3,292,685 | Hg5Zr4 | 9 | -36.566298 | -0.830797 |
7,641 | 3,292,685 | Hg5Zr4 | 9 | -36.447584 | -0.712083 |
7,642 | 3,292,685 | Hg5Zr4 | 9 | -36.302684 | -0.567183 |
7,643 | 3,292,685 | Hg5Zr4 | 9 | -36.199749 | -0.464248 |
7,644 | 3,292,685 | Hg5Zr4 | 9 | -35.900222 | -0.164721 |
7,645 | 3,292,685 | Hg5Zr4 | 9 | -36.19738 | -0.461879 |
7,646 | 3,292,685 | Hg5Zr4 | 9 | -36.119054 | -0.383553 |
7,647 | 3,295,349 | HgZr2 | 3 | -16.411982 | 1.330583 |
7,648 | 3,295,349 | HgZr2 | 3 | -16.514332 | 1.228232 |
7,649 | 3,295,349 | HgZr2 | 3 | -16.43119 | 1.311375 |
7,650 | 3,295,349 | HgZr2 | 3 | -16.196447 | 1.546118 |
7,651 | 3,295,349 | HgZr2 | 3 | -14.61819 | 3.124375 |
7,652 | 3,295,349 | HgZr2 | 3 | -14.75681 | 2.985754 |
7,653 | 3,295,349 | HgZr2 | 3 | -14.043601 | 3.698964 |
7,654 | 3,295,349 | HgZr2 | 3 | -8.872383 | 8.870182 |
7,655 | 3,295,349 | HgZr2 | 3 | -6.828154 | 10.914411 |
7,656 | 3,286,850 | Pb8Pm12 | 20 | -95.015997 | -9.300511 |
7,657 | 3,286,850 | Pb8Pm12 | 20 | -95.006216 | -9.290729 |
7,658 | 3,290,346 | Dy3Y5 | 8 | -46.08354 | -0.628578 |
7,659 | 3,290,346 | Dy3Y5 | 8 | -46.080955 | -0.625993 |
7,660 | 3,297,582 | PbPm4 | 5 | -23.776186 | -1.122702 |
7,661 | 3,297,582 | PbPm4 | 5 | -23.775018 | -1.121534 |
7,662 | 3,293,023 | Pb6Pm5 | 11 | -50.252505 | -5.068369 |
7,663 | 3,293,023 | Pb6Pm5 | 11 | -50.245406 | -5.06127 |
7,664 | 3,293,334 | Pb5Pm7 | 12 | -56.374769 | -5.190399 |
7,665 | 3,293,334 | Pb5Pm7 | 12 | -56.365661 | -5.181292 |
7,666 | 3,289,091 | Dy2Y7 | 9 | -54.12645 | -0.358867 |
7,667 | 3,289,091 | Dy2Y7 | 9 | -54.119729 | -0.352146 |
7,668 | 3,291,628 | Dy8Y3 | 11 | -49.792599 | 5.294039 |
7,669 | 3,291,628 | Dy8Y3 | 11 | -49.786093 | 5.300545 |
7,670 | 3,296,020 | Dy3Y | 4 | -20.18388 | -0.326309 |
7,671 | 3,296,020 | Dy3Y | 4 | -20.183242 | -0.325671 |
7,672 | 3,289,194 | Dy13Y3 | 16 | -78.900442 | -1.383433 |
7,673 | 3,289,194 | Dy13Y3 | 16 | -78.898068 | -1.381059 |
7,674 | 3,291,629 | Dy3Y8 | 11 | -59.420763 | 5.232242 |
7,675 | 3,291,629 | Dy3Y8 | 11 | -59.416797 | 5.236208 |
7,676 | 3,289,193 | Dy3Y13 | 16 | -97.40539 | -0.755646 |
7,677 | 3,289,193 | Dy3Y13 | 16 | -97.400164 | -0.75042 |
7,678 | 3,288,290 | Dy4Y10 | 14 | -82.979818 | -1.042043 |
7,679 | 3,288,290 | Dy4Y10 | 14 | -82.974656 | -1.036881 |
7,680 | 3,288,289 | Dy10Y4 | 14 | -71.773201 | -1.315066 |
7,681 | 3,288,289 | Dy10Y4 | 14 | -71.770998 | -1.312863 |
7,682 | 3,297,218 | Dy8Y2 | 10 | -48.92814 | -0.24085 |
7,683 | 3,297,218 | Dy8Y2 | 10 | -48.926642 | -0.239352 |
7,684 | 3,298,595 | Dy10Y2 | 12 | -58.688371 | -1.028932 |
7,685 | 3,298,595 | Dy10Y2 | 12 | -58.68645 | -1.027011 |
7,686 | 3,286,662 | Dy6Y4 | 10 | -49.279656 | 3.234181 |
7,687 | 3,286,662 | Dy6Y4 | 10 | -49.276496 | 3.237341 |
7,688 | 3,293,167 | Dy5Y7 | 12 | -65.875847 | 1.349959 |
7,689 | 3,293,167 | Dy5Y7 | 12 | -65.870395 | 1.355412 |
7,690 | 3,288,167 | Ge4V10 | 14 | -110.896446 | -2.35033 |
7,691 | 3,288,167 | Ge4V10 | 14 | -110.891893 | -2.345777 |
7,692 | 3,289,914 | F4Rb3 | 7 | -26.241665 | -1.588288 |
7,693 | 3,289,914 | F4Rb3 | 7 | -26.165338 | -1.511961 |
7,694 | 3,289,914 | F4Rb3 | 7 | -26.028739 | -1.375362 |
7,695 | 3,289,914 | F4Rb3 | 7 | -25.958413 | -1.305036 |
7,696 | 3,289,914 | F4Rb3 | 7 | -25.644574 | -0.991197 |
7,697 | 3,291,321 | Ru6Zr14 | 20 | -181.336575 | -2.787127 |
7,698 | 3,291,321 | Ru6Zr14 | 20 | -181.320499 | -2.771051 |
7,699 | 3,297,843 | Ru2Zr8 | 10 | -87.722634 | 1.225695 |
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