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 |
|---|---|---|---|---|---|
11,600 | 3,286,809 | Pd2Pm3 | 5 | -27.547079 | -2.138707 |
11,601 | 3,286,809 | Pd2Pm3 | 5 | -27.540611 | -2.132238 |
11,602 | 3,298,230 | F8P2 | 10 | -45.592197 | 7.616014 |
11,603 | 3,298,230 | F8P2 | 10 | -45.383567 | 7.824643 |
11,604 | 3,298,230 | F8P2 | 10 | -45.246798 | 7.961412 |
11,605 | 3,298,230 | F8P2 | 10 | -44.848408 | 8.359802 |
11,606 | 3,298,230 | F8P2 | 10 | -44.700644 | 8.507566 |
11,607 | 3,298,230 | F8P2 | 10 | -44.365264 | 8.842947 |
11,608 | 3,298,230 | F8P2 | 10 | -44.020314 | 9.187897 |
11,609 | 3,297,389 | Li8Mg2 | 10 | -18.004198 | 4.139238 |
11,610 | 3,297,389 | Li8Mg2 | 10 | -17.844607 | 4.298829 |
11,611 | 3,290,693 | Cu3Pm5 | 8 | -36.919656 | -1.806082 |
11,612 | 3,290,693 | Cu3Pm5 | 8 | -36.858315 | -1.744742 |
11,613 | 3,292,218 | Pm5Sm4 | 9 | -42.525924 | 0.042062 |
11,614 | 3,292,218 | Pm5Sm4 | 9 | -42.520247 | 0.047739 |
11,615 | 3,286,927 | Pm4Tb6 | 10 | -45.4525 | 0.815327 |
11,616 | 3,286,927 | Pm4Tb6 | 10 | -45.447344 | 0.820482 |
11,617 | 3,290,343 | Pm3Y5 | 8 | -46.436204 | -0.112607 |
11,618 | 3,290,343 | Pm3Y5 | 8 | -46.433168 | -0.10957 |
11,619 | 3,291,979 | Ge4Ho5 | 9 | -48.494032 | -6.011259 |
11,620 | 3,291,979 | Ge4Ho5 | 9 | -48.493762 | -6.010989 |
11,621 | 3,285,457 | Cd2Ga13 | 15 | -39.819974 | 4.682029 |
11,622 | 3,285,457 | Cd2Ga13 | 15 | -39.810969 | 4.691034 |
11,623 | 3,287,422 | Cd4Ga6 | 10 | -21.104145 | 1.926024 |
11,624 | 3,287,422 | Cd4Ga6 | 10 | -21.071462 | 1.958707 |
11,625 | 3,296,262 | Cd3Ga | 4 | -5.626813 | 0.100393 |
11,626 | 3,296,262 | Cd3Ga | 4 | -5.625434 | 0.101772 |
11,627 | 3,298,439 | Cd4Cu16 | 20 | -65.486708 | -2.326152 |
11,628 | 3,298,439 | Cd4Cu16 | 20 | -64.934393 | -1.773837 |
11,629 | 3,295,299 | Cd4Cu2 | 6 | -11.713506 | -0.985171 |
11,630 | 3,295,299 | Cd4Cu2 | 6 | -11.656095 | -0.92776 |
11,631 | 3,287,561 | Cd3Ga2 | 5 | -8.657206 | 0.368692 |
11,632 | 3,287,561 | Cd3Ga2 | 5 | -8.654073 | 0.371824 |
11,633 | 3,289,201 | Cd13Ga3 | 16 | -20.44414 | -0.024504 |
11,634 | 3,289,201 | Cd13Ga3 | 16 | -20.305317 | 0.114318 |
11,635 | 3,298,501 | Co8Er2 | 10 | -66.899684 | -4.149511 |
11,636 | 3,298,501 | Co8Er2 | 10 | -66.770722 | -4.020549 |
11,637 | 3,298,501 | Co8Er2 | 10 | -66.653994 | -3.903821 |
11,638 | 3,298,501 | Co8Er2 | 10 | -66.510424 | -3.760251 |
11,639 | 3,298,501 | Co8Er2 | 10 | -66.398826 | -3.648653 |
11,640 | 3,295,346 | CoEr2 | 3 | -16.566126 | -0.930781 |
11,641 | 3,295,346 | CoEr2 | 3 | -16.564956 | -0.929611 |
11,642 | 3,291,465 | Co6Er14 | 20 | -110.340204 | -7.623481 |
11,643 | 3,291,465 | Co6Er14 | 20 | -110.333675 | -7.616952 |
11,644 | 3,286,834 | Co2Er3 | 5 | -28.849006 | -2.030644 |
11,645 | 3,286,834 | Co2Er3 | 5 | -28.845724 | -2.027362 |
11,646 | 3,292,170 | Co4Er5 | 9 | -53.237331 | -4.052935 |
11,647 | 3,292,170 | Co4Er5 | 9 | -53.231111 | -4.046715 |
11,648 | 3,287,916 | K6Tl4 | 10 | -16.331599 | 0.831096 |
11,649 | 3,287,916 | K6Tl4 | 10 | -16.344797 | 0.817898 |
11,650 | 3,286,329 | K2Tl13 | 15 | -31.566006 | -1.052945 |
11,651 | 3,286,329 | K2Tl13 | 15 | -31.592824 | -1.079763 |
11,652 | 3,296,450 | F12Ge4 | 16 | -73.891918 | 7.807544 |
11,653 | 3,296,450 | F12Ge4 | 16 | -73.713361 | 7.9861 |
11,654 | 3,296,450 | F12Ge4 | 16 | -73.007219 | 8.692243 |
11,655 | 3,296,450 | F12Ge4 | 16 | -72.832511 | 8.866951 |
11,656 | 3,296,450 | F12Ge4 | 16 | -72.669856 | 9.029605 |
11,657 | 3,296,450 | F12Ge4 | 16 | -72.497235 | 9.202226 |
11,658 | 3,296,450 | F12Ge4 | 16 | -72.319905 | 9.379557 |
11,659 | 3,296,450 | F12Ge4 | 16 | -72.144365 | 9.555097 |
11,660 | 3,296,450 | F12Ge4 | 16 | -71.909614 | 9.789848 |
11,661 | 3,296,450 | F12Ge4 | 16 | -71.73732 | 9.962142 |
11,662 | 3,296,450 | F12Ge4 | 16 | -71.487562 | 10.211899 |
11,663 | 3,296,450 | F12Ge4 | 16 | -70.565234 | 11.134228 |
11,664 | 3,296,450 | F12Ge4 | 16 | -70.394695 | 11.304766 |
11,665 | 3,296,450 | F12Ge4 | 16 | -70.229456 | 11.470006 |
11,666 | 3,296,450 | F12Ge4 | 16 | -70.067486 | 11.631976 |
11,667 | 3,296,450 | F12Ge4 | 16 | -69.88295 | 11.816512 |
11,668 | 3,296,450 | F12Ge4 | 16 | -69.634454 | 12.065008 |
11,669 | 3,296,450 | F12Ge4 | 16 | -69.104049 | 12.595413 |
11,670 | 3,296,344 | Fe4Hf12 | 16 | -155.062869 | -2.241169 |
11,671 | 3,296,344 | Fe4Hf12 | 16 | -155.05325 | -2.231551 |
11,672 | 3,286,794 | Pr12Tl8 | 20 | -81.074953 | -7.470311 |
11,673 | 3,286,794 | Pr12Tl8 | 20 | -80.982265 | -7.377623 |
11,674 | 3,296,497 | F12Tl4 | 16 | -59.036599 | 10.933582 |
11,675 | 3,296,497 | F12Tl4 | 16 | -58.843663 | 11.126517 |
11,676 | 3,296,497 | F12Tl4 | 16 | -58.5714 | 11.398781 |
11,677 | 3,296,497 | F12Tl4 | 16 | -58.207774 | 11.762407 |
11,678 | 3,285,701 | F13Tc2 | 15 | -70.552411 | 15.568847 |
11,679 | 3,285,701 | F13Tc2 | 15 | -70.309322 | 15.811936 |
11,680 | 3,285,701 | F13Tc2 | 15 | -70.124859 | 15.996399 |
11,681 | 3,285,701 | F13Tc2 | 15 | -69.556528 | 16.56473 |
11,682 | 3,285,701 | F13Tc2 | 15 | -69.34796 | 16.773298 |
11,683 | 3,285,701 | F13Tc2 | 15 | -68.811938 | 17.30932 |
11,684 | 3,285,701 | F13Tc2 | 15 | -68.495207 | 17.626051 |
11,685 | 3,285,701 | F13Tc2 | 15 | -68.202426 | 17.918832 |
11,686 | 3,286,670 | Cd2Hg3 | 5 | -2.466131 | -0.596751 |
11,687 | 3,286,670 | Cd2Hg3 | 5 | -2.459295 | -0.589914 |
11,688 | 3,286,953 | Cd6Hg4 | 10 | -6.464024 | -1.273168 |
11,689 | 3,286,953 | Cd6Hg4 | 10 | -6.439767 | -1.248911 |
11,690 | 3,293,183 | Cd7Hg5 | 12 | -7.717868 | -1.634051 |
11,691 | 3,293,183 | Cd7Hg5 | 12 | -7.595273 | -1.511455 |
11,692 | 3,293,183 | Cd7Hg5 | 12 | -7.472107 | -1.388289 |
11,693 | 3,293,183 | Cd7Hg5 | 12 | -7.308506 | -1.224688 |
11,694 | 3,293,183 | Cd7Hg5 | 12 | -7.243151 | -1.159333 |
11,695 | 3,291,643 | Cd3Hg8 | 11 | -4.688967 | -1.592796 |
11,696 | 3,291,643 | Cd3Hg8 | 11 | -4.688967 | -1.592796 |
11,697 | 3,285,679 | Ac13Ru2 | 15 | -72.691673 | 3.569366 |
11,698 | 3,285,679 | Ac13Ru2 | 15 | -72.689448 | 3.57159 |
11,699 | 3,286,454 | Ac2Ag17 | 19 | -58.708197 | -10.28544 |
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