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 |
|---|---|---|---|---|---|
6,500 | 3,287,910 | K6Sn4 | 10 | -24.187617 | 0.815907 |
6,501 | 3,295,222 | C4La8 | 12 | -74.466743 | -0.465673 |
6,502 | 3,295,222 | C4La8 | 12 | -74.449913 | -0.448843 |
6,503 | 3,292,674 | La5N4 | 9 | -61.886194 | 0.396425 |
6,504 | 3,292,674 | La5N4 | 9 | -61.828405 | 0.454214 |
6,505 | 3,286,120 | Co2Zr13 | 15 | -125.972892 | 2.272687 |
6,506 | 3,286,120 | Co2Zr13 | 15 | -125.968344 | 2.277236 |
6,507 | 3,287,461 | In8Y12 | 20 | -107.775276 | -9.054765 |
6,508 | 3,287,461 | In8Y12 | 20 | -107.763554 | -9.043043 |
6,509 | 3,297,117 | Co9Zr3 | 12 | -92.682966 | -5.618096 |
6,510 | 3,297,117 | Co9Zr3 | 12 | -92.68306 | -5.618191 |
6,511 | 3,286,831 | Co2Zr3 | 5 | -41.021771 | -1.07173 |
6,512 | 3,286,831 | Co2Zr3 | 5 | -41.018576 | -1.068535 |
6,513 | 3,288,273 | Co4Y10 | 14 | -95.319913 | -4.403676 |
6,514 | 3,288,273 | Co4Y10 | 14 | -95.310349 | -4.394112 |
6,515 | 3,287,243 | O3Rh2 | 5 | -30.201954 | 8.032357 |
6,516 | 3,287,243 | O3Rh2 | 5 | -30.138193 | 8.096118 |
6,517 | 3,287,243 | O3Rh2 | 5 | -30.144373 | 8.089938 |
6,518 | 3,290,102 | O4Rh3 | 7 | -44.795023 | 8.757688 |
6,519 | 3,290,102 | O4Rh3 | 7 | -44.669139 | 8.883572 |
6,520 | 3,290,102 | O4Rh3 | 7 | -44.585091 | 8.967621 |
6,521 | 3,290,102 | O4Rh3 | 7 | -44.502671 | 9.05004 |
6,522 | 3,290,102 | O4Rh3 | 7 | -44.428712 | 9.123999 |
6,523 | 3,290,102 | O4Rh3 | 7 | -44.370115 | 9.182596 |
6,524 | 3,294,288 | Cu12Sc | 13 | -45.98687 | 5.499463 |
6,525 | 3,294,288 | Cu12Sc | 13 | -45.443695 | 6.042638 |
6,526 | 3,292,596 | F4K5 | 9 | -33.580001 | -5.871227 |
6,527 | 3,292,596 | F4K5 | 9 | -33.466439 | -5.757664 |
6,528 | 3,292,596 | F4K5 | 9 | -33.204132 | -5.495358 |
6,529 | 3,299,188 | La5Sn | 6 | -29.900733 | -0.067211 |
6,530 | 3,299,188 | La5Sn | 6 | -29.996633 | -0.163111 |
6,531 | 3,299,188 | La5Sn | 6 | -29.928612 | -0.09509 |
6,532 | 3,299,188 | La5Sn | 6 | -29.389296 | 0.444227 |
6,533 | 3,299,188 | La5Sn | 6 | -26.962271 | 2.871251 |
6,534 | 3,299,188 | La5Sn | 6 | -25.548903 | 4.28462 |
6,535 | 3,299,188 | La5Sn | 6 | -24.936988 | 4.896534 |
6,536 | 3,299,188 | La5Sn | 6 | -16.998873 | 12.83465 |
6,537 | 3,287,101 | Ag6S4 | 10 | -32.880007 | 2.904425 |
6,538 | 3,287,101 | Ag6S4 | 10 | -32.88361 | 2.900822 |
6,539 | 3,291,029 | Ag10S6 | 16 | -52.08592 | 3.914698 |
6,540 | 3,291,029 | Ag10S6 | 16 | -52.093717 | 3.906902 |
6,541 | 3,292,042 | La5Sn4 | 9 | -47.435283 | -5.346012 |
6,542 | 3,292,042 | La5Sn4 | 9 | -47.432583 | -5.343312 |
6,543 | 3,286,282 | La2Sn13 | 15 | -61.542273 | 1.86528 |
6,544 | 3,286,282 | La2Sn13 | 15 | -61.366586 | 2.040968 |
6,545 | 3,286,282 | La2Sn13 | 15 | -61.176074 | 2.23148 |
6,546 | 3,286,282 | La2Sn13 | 15 | -60.994391 | 2.413163 |
6,547 | 3,286,282 | La2Sn13 | 15 | -60.640896 | 2.766657 |
6,548 | 3,286,282 | La2Sn13 | 15 | -60.531633 | 2.875921 |
6,549 | 3,295,143 | Co4Ir2 | 6 | -45.863714 | -1.01022 |
6,550 | 3,295,143 | Co4Ir2 | 6 | -45.748539 | -0.895046 |
6,551 | 3,295,143 | Co4Ir2 | 6 | -45.792505 | -0.939012 |
6,552 | 3,291,225 | Co3Ir7 | 10 | -83.008013 | -0.058374 |
6,553 | 3,291,225 | Co3Ir7 | 10 | -82.885506 | 0.064132 |
6,554 | 3,291,225 | Co3Ir7 | 10 | -82.979582 | -0.029944 |
6,555 | 3,297,400 | CoIr4 | 5 | -42.492228 | 0.09993 |
6,556 | 3,297,400 | CoIr4 | 5 | -42.481289 | 0.110869 |
6,557 | 3,290,947 | Co6Ir10 | 16 | -124.923311 | 5.114498 |
6,558 | 3,290,947 | Co6Ir10 | 16 | -124.80169 | 5.236119 |
6,559 | 3,286,991 | Co2Ir3 | 5 | -37.457617 | 2.899864 |
6,560 | 3,286,991 | Co2Ir3 | 5 | -37.38541 | 2.972071 |
6,561 | 3,286,991 | Co2Ir3 | 5 | -37.420062 | 2.937419 |
6,562 | 3,297,716 | Au2Br8 | 10 | -19.855242 | 9.528278 |
6,563 | 3,297,716 | Au2Br8 | 10 | -19.737922 | 9.645598 |
6,564 | 3,287,172 | Mo8Ta12 | 20 | -219.427352 | -0.407387 |
6,565 | 3,287,172 | Mo8Ta12 | 20 | -219.421212 | -0.401248 |
6,566 | 3,291,996 | Si4Th5 | 9 | -64.276983 | -1.860558 |
6,567 | 3,291,996 | Si4Th5 | 9 | -64.276916 | -1.860491 |
6,568 | 3,288,231 | Ho10Pt4 | 14 | -81.52834 | -10.610685 |
6,569 | 3,288,231 | Ho10Pt4 | 14 | -81.520812 | -10.603157 |
6,570 | 3,293,782 | Ho4Pt4 | 8 | -52.542341 | -8.328673 |
6,571 | 3,293,782 | Ho4Pt4 | 8 | -52.534496 | -8.320828 |
6,572 | 3,289,763 | K3Tl4 | 7 | -13.203212 | -0.37178 |
6,573 | 3,289,763 | K3Tl4 | 7 | -13.208084 | -0.376651 |
6,574 | 3,299,231 | Ag2Sc10 | 12 | -67.225226 | 2.867023 |
6,575 | 3,299,231 | Ag2Sc10 | 12 | -67.218494 | 2.873755 |
6,576 | 3,298,432 | Pm4Pt16 | 20 | -127.436624 | -2.690103 |
6,577 | 3,298,432 | Pm4Pt16 | 20 | -127.406313 | -2.659792 |
6,578 | 3,295,457 | Al4V2 | 6 | -34.189898 | 0.022876 |
6,579 | 3,295,457 | Al4V2 | 6 | -34.163603 | 0.049172 |
6,580 | 3,295,250 | ReS2 | 3 | -21.291685 | 1.087415 |
6,581 | 3,295,250 | ReS2 | 3 | -21.247582 | 1.131518 |
6,582 | 3,295,250 | ReS2 | 3 | -21.204371 | 1.174729 |
6,583 | 3,295,250 | ReS2 | 3 | -21.134505 | 1.244595 |
6,584 | 3,295,250 | ReS2 | 3 | -14.746016 | 7.633084 |
6,585 | 3,293,337 | La7N5 | 12 | -88.099746 | -6.384231 |
6,586 | 3,293,337 | La7N5 | 12 | -87.926827 | -6.211312 |
6,587 | 3,293,337 | La7N5 | 12 | -87.805862 | -6.090347 |
6,588 | 3,293,337 | La7N5 | 12 | -87.724052 | -6.008536 |
6,589 | 3,288,133 | Cu4Sn6 | 10 | -39.973085 | -0.480953 |
6,590 | 3,288,133 | Cu4Sn6 | 10 | -39.887528 | -0.395396 |
6,591 | 3,298,192 | Cu2Sn8 | 10 | -39.692516 | 0.479798 |
6,592 | 3,298,192 | Cu2Sn8 | 10 | -39.662131 | 0.510182 |
6,593 | 3,293,642 | O4Rb4 | 8 | -31.158872 | 4.782336 |
6,594 | 3,293,642 | O4Rb4 | 8 | -31.072789 | 4.868419 |
6,595 | 3,293,642 | O4Rb4 | 8 | -30.987191 | 4.954017 |
6,596 | 3,291,148 | Cu7Sn3 | 10 | -39.855473 | -1.383614 |
6,597 | 3,291,148 | Cu7Sn3 | 10 | -39.657529 | -1.18567 |
6,598 | 3,297,713 | O2Rb8 | 10 | -22.825094 | 3.472257 |
6,599 | 3,297,713 | O2Rb8 | 10 | -22.769724 | 3.527628 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.