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 |
|---|---|---|---|---|---|
10,446,500 | 6,147,491 | C4B6 | 10 | -71.045092 | 3.698367 |
10,446,501 | 6,147,491 | C4B6 | 10 | -70.87784 | 3.865619 |
10,446,502 | 6,147,491 | C4B6 | 10 | -70.445858 | 4.2976 |
10,446,503 | 6,147,491 | C4B6 | 10 | -70.158559 | 4.584899 |
10,446,504 | 6,147,491 | C4B6 | 10 | -67.343961 | 7.399498 |
10,446,505 | 6,147,492 | C4B6 | 10 | -72.930558 | 1.8129 |
10,446,506 | 6,147,492 | C4B6 | 10 | -72.784642 | 1.958817 |
10,446,507 | 6,147,492 | C4B6 | 10 | -72.583491 | 2.159967 |
10,446,508 | 6,147,492 | C4B6 | 10 | -72.359338 | 2.38412 |
10,446,509 | 6,147,492 | C4B6 | 10 | -71.984374 | 2.759085 |
10,446,510 | 6,147,492 | C4B6 | 10 | -71.875446 | 2.868013 |
10,446,511 | 6,147,492 | C4B6 | 10 | -71.481083 | 3.262376 |
10,446,512 | 6,147,492 | C4B6 | 10 | -71.20239 | 3.541069 |
10,446,513 | 6,147,492 | C4B6 | 10 | -70.75393 | 3.989529 |
10,446,514 | 6,147,492 | C4B6 | 10 | -70.351217 | 4.392241 |
10,446,515 | 6,147,492 | C4B6 | 10 | -70.075658 | 4.667801 |
10,446,516 | 6,147,492 | C4B6 | 10 | -67.326222 | 7.417237 |
10,446,517 | 6,147,502 | C4B6 | 10 | -72.027265 | 2.716194 |
10,446,518 | 6,147,502 | C4B6 | 10 | -71.873287 | 2.870172 |
10,446,519 | 6,147,502 | C4B6 | 10 | -71.552736 | 3.190723 |
10,446,520 | 6,147,502 | C4B6 | 10 | -71.220502 | 3.522956 |
10,446,521 | 6,147,502 | C4B6 | 10 | -68.568126 | 6.175333 |
10,446,522 | 6,147,498 | C4B6 | 10 | -72.43174 | 2.311719 |
10,446,523 | 6,147,498 | C4B6 | 10 | -72.183914 | 2.559545 |
10,446,524 | 6,147,498 | C4B6 | 10 | -71.877496 | 2.865963 |
10,446,525 | 6,147,498 | C4B6 | 10 | -71.325084 | 3.418374 |
10,446,526 | 6,147,498 | C4B6 | 10 | -71.045122 | 3.698337 |
10,446,527 | 6,147,498 | C4B6 | 10 | -68.025297 | 6.718162 |
10,446,528 | 6,146,848 | C5B3 | 8 | -63.425424 | -1.450819 |
10,446,529 | 6,146,848 | C5B3 | 8 | -63.329966 | -1.355361 |
10,446,530 | 6,146,848 | C5B3 | 8 | -62.842631 | -0.868026 |
10,446,531 | 6,146,848 | C5B3 | 8 | -62.009276 | -0.034672 |
10,446,532 | 6,146,848 | C5B3 | 8 | -57.984354 | 3.990251 |
10,446,533 | 6,146,852 | C5B3 | 8 | -63.489973 | -1.515368 |
10,446,534 | 6,146,852 | C5B3 | 8 | -63.394347 | -1.419742 |
10,446,535 | 6,146,852 | C5B3 | 8 | -63.310458 | -1.335854 |
10,446,536 | 6,146,852 | C5B3 | 8 | -63.230106 | -1.255501 |
10,446,537 | 6,146,852 | C5B3 | 8 | -63.139469 | -1.164865 |
10,446,538 | 6,146,852 | C5B3 | 8 | -63.040271 | -1.065667 |
10,446,539 | 6,146,852 | C5B3 | 8 | -62.936534 | -0.961929 |
10,446,540 | 6,146,852 | C5B3 | 8 | -62.812725 | -0.838121 |
10,446,541 | 6,146,852 | C5B3 | 8 | -62.608454 | -0.633849 |
10,446,542 | 6,146,852 | C5B3 | 8 | -61.506472 | 0.468132 |
10,446,543 | 6,146,852 | C5B3 | 8 | -58.460819 | 3.513786 |
10,446,544 | 6,146,885 | C5B3 | 8 | -63.539638 | -1.565033 |
10,446,545 | 6,146,885 | C5B3 | 8 | -63.43447 | -1.459865 |
10,446,546 | 6,146,885 | C5B3 | 8 | -63.339375 | -1.364771 |
10,446,547 | 6,146,885 | C5B3 | 8 | -63.257961 | -1.283356 |
10,446,548 | 6,146,885 | C5B3 | 8 | -63.173199 | -1.198594 |
10,446,549 | 6,146,885 | C5B3 | 8 | -63.051002 | -1.076398 |
10,446,550 | 6,146,885 | C5B3 | 8 | -62.921128 | -0.946524 |
10,446,551 | 6,146,885 | C5B3 | 8 | -62.791908 | -0.817304 |
10,446,552 | 6,146,885 | C5B3 | 8 | -62.703183 | -0.728579 |
10,446,553 | 6,146,885 | C5B3 | 8 | -62.309018 | -0.334414 |
10,446,554 | 6,146,885 | C5B3 | 8 | -61.449631 | 0.524973 |
10,446,555 | 6,146,885 | C5B3 | 8 | -57.680128 | 4.294477 |
10,446,556 | 6,146,888 | C5B3 | 8 | -63.078345 | -1.103741 |
10,446,557 | 6,146,888 | C5B3 | 8 | -63.078176 | -1.103571 |
10,446,558 | 6,146,898 | C5B3 | 8 | -63.270286 | -1.295681 |
10,446,559 | 6,146,898 | C5B3 | 8 | -63.16896 | -1.194356 |
10,446,560 | 6,146,898 | C5B3 | 8 | -62.870243 | -0.895639 |
10,446,561 | 6,146,898 | C5B3 | 8 | -61.955499 | 0.019106 |
10,446,562 | 6,146,898 | C5B3 | 8 | -58.146823 | 3.827782 |
10,446,563 | 6,146,923 | C5B3 | 8 | -63.244937 | -1.270332 |
10,446,564 | 6,146,923 | C5B3 | 8 | -63.102499 | -1.127895 |
10,446,565 | 6,146,923 | C5B3 | 8 | -62.443558 | -0.468953 |
10,446,566 | 6,146,923 | C5B3 | 8 | -60.670852 | 1.303753 |
10,446,567 | 6,146,923 | C5B3 | 8 | -59.855756 | 2.118848 |
10,446,568 | 6,146,923 | C5B3 | 8 | -58.941377 | 3.033228 |
10,446,569 | 6,146,923 | C5B3 | 8 | -53.64747 | 8.327135 |
10,446,570 | 6,146,925 | C5B3 | 8 | -63.392185 | -1.41758 |
10,446,571 | 6,146,925 | C5B3 | 8 | -63.308382 | -1.333777 |
10,446,572 | 6,146,925 | C5B3 | 8 | -63.004654 | -1.03005 |
10,446,573 | 6,146,925 | C5B3 | 8 | -62.105006 | -0.130401 |
10,446,574 | 6,146,925 | C5B3 | 8 | -58.163514 | 3.811091 |
10,446,575 | 6,146,951 | C5B3 | 8 | -63.487366 | -1.512761 |
10,446,576 | 6,146,951 | C5B3 | 8 | -63.339989 | -1.365384 |
10,446,577 | 6,146,951 | C5B3 | 8 | -62.867889 | -0.893285 |
10,446,578 | 6,146,951 | C5B3 | 8 | -61.999922 | -0.025317 |
10,446,579 | 6,146,951 | C5B3 | 8 | -58.121903 | 3.852702 |
10,446,580 | 6,146,965 | C5B3 | 8 | -62.941056 | -0.966452 |
10,446,581 | 6,146,965 | C5B3 | 8 | -62.848172 | -0.873568 |
10,446,582 | 6,146,965 | C5B3 | 8 | -62.743989 | -0.769385 |
10,446,583 | 6,146,965 | C5B3 | 8 | -62.341491 | -0.366886 |
10,446,584 | 6,146,965 | C5B3 | 8 | -61.461428 | 0.513177 |
10,446,585 | 6,146,965 | C5B3 | 8 | -57.680807 | 4.293798 |
10,446,586 | 6,146,990 | C5B3 | 8 | -63.714394 | -1.73979 |
10,446,587 | 6,146,990 | C5B3 | 8 | -63.626768 | -1.652163 |
10,446,588 | 6,146,990 | C5B3 | 8 | -63.533474 | -1.55887 |
10,446,589 | 6,146,990 | C5B3 | 8 | -63.340569 | -1.365964 |
10,446,590 | 6,146,990 | C5B3 | 8 | -62.968544 | -0.99394 |
10,446,591 | 6,146,990 | C5B3 | 8 | -62.054117 | -0.079512 |
10,446,592 | 6,146,990 | C5B3 | 8 | -58.150015 | 3.82459 |
10,446,593 | 6,147,036 | C7B3 | 10 | -81.709623 | -3.333102 |
10,446,594 | 6,147,036 | C7B3 | 10 | -81.420021 | -3.0435 |
10,446,595 | 6,147,036 | C7B3 | 10 | -80.739897 | -2.363376 |
10,446,596 | 6,147,036 | C7B3 | 10 | -78.809151 | -0.432629 |
10,446,597 | 6,147,036 | C7B3 | 10 | -73.926534 | 4.449988 |
10,446,598 | 6,147,047 | C7B3 | 10 | -81.331494 | -2.954973 |
10,446,599 | 6,147,047 | C7B3 | 10 | -81.217542 | -2.841021 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.