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 |
|---|---|---|---|---|---|
7,500 | 3,292,045 | Pr5Sn4 | 9 | -46.44565 | -6.519526 |
7,501 | 3,292,045 | Pr5Sn4 | 9 | -46.443909 | -6.517785 |
7,502 | 3,288,335 | Pr10Sn4 | 14 | -70.185573 | -6.674323 |
7,503 | 3,288,335 | Pr10Sn4 | 14 | -70.185018 | -6.673768 |
7,504 | 3,293,441 | K7Rb6 | 13 | -13.367527 | 5.065499 |
7,505 | 3,293,441 | K7Rb6 | 13 | -13.360187 | 5.072839 |
7,506 | 3,289,523 | K3Rb4 | 7 | -7.117238 | 2.765189 |
7,507 | 3,289,523 | K3Rb4 | 7 | -7.113266 | 2.769161 |
7,508 | 3,299,752 | KRb7 | 8 | -7.821766 | 3.336526 |
7,509 | 3,299,752 | KRb7 | 8 | -7.816926 | 3.341367 |
7,510 | 3,288,455 | K5Rb2 | 7 | -7.364067 | 2.630287 |
7,511 | 3,288,455 | K5Rb2 | 7 | -7.361539 | 2.632815 |
7,512 | 3,292,920 | K6Rb5 | 11 | -11.111714 | 4.489767 |
7,513 | 3,292,920 | K6Rb5 | 11 | -11.104456 | 4.497025 |
7,514 | 3,298,669 | K5Rb | 6 | -6.427567 | 2.178995 |
7,515 | 3,298,669 | K5Rb | 6 | -6.425184 | 2.181378 |
7,516 | 3,289,252 | K13Rb3 | 16 | -17.083285 | 5.848893 |
7,517 | 3,289,252 | K13Rb3 | 16 | -17.076542 | 5.855636 |
7,518 | 3,298,670 | K2Rb10 | 12 | -11.795175 | 4.970245 |
7,519 | 3,298,670 | K2Rb10 | 12 | -11.787022 | 4.978398 |
7,520 | 3,293,442 | K6Rb7 | 13 | -12.768063 | 5.609001 |
7,521 | 3,293,442 | K6Rb7 | 13 | -12.75974 | 5.617323 |
7,522 | 3,291,206 | K6Rb14 | 20 | -19.514999 | 8.576602 |
7,523 | 3,291,206 | K6Rb14 | 20 | -19.513721 | 8.577881 |
7,524 | 3,290,365 | K3Rb5 | 8 | -8.092793 | 3.177425 |
7,525 | 3,290,365 | K3Rb5 | 8 | -6.891761 | 4.378458 |
7,526 | 3,290,365 | K3Rb5 | 8 | -7.868217 | 3.402002 |
7,527 | 3,290,365 | K3Rb5 | 8 | -7.013226 | 4.256993 |
7,528 | 3,290,365 | K3Rb5 | 8 | -6.65811 | 4.612109 |
7,529 | 3,293,246 | K7Rb5 | 12 | -12.433083 | 4.612152 |
7,530 | 3,293,246 | K7Rb5 | 12 | -12.427523 | 4.617712 |
7,531 | 3,289,251 | K3Rb13 | 16 | -15.767474 | 6.605074 |
7,532 | 3,289,251 | K3Rb13 | 16 | -15.756526 | 6.616022 |
7,533 | 3,293,245 | K5Rb7 | 12 | -11.773277 | 5.160032 |
7,534 | 3,293,245 | K5Rb7 | 12 | -11.766305 | 5.167005 |
7,535 | 3,291,710 | K8Rb3 | 11 | -10.510751 | 5.202656 |
7,536 | 3,291,710 | K8Rb3 | 11 | -10.506818 | 5.206589 |
7,537 | 3,288,456 | K4Rb10 | 14 | -13.97091 | 5.682019 |
7,538 | 3,288,456 | K4Rb10 | 14 | -13.961693 | 5.691235 |
7,539 | 3,297,357 | K2Rb8 | 10 | -9.594102 | 4.395736 |
7,540 | 3,297,357 | K2Rb8 | 10 | -9.587221 | 4.402617 |
7,541 | 3,286,977 | K4Rb6 | 10 | -9.812332 | 4.289432 |
7,542 | 3,286,977 | K4Rb6 | 10 | -9.806295 | 4.295469 |
7,543 | 3,291,711 | K3Rb8 | 11 | -10.030634 | 5.402958 |
7,544 | 3,291,711 | K3Rb8 | 11 | -10.022103 | 5.411489 |
7,545 | 3,300,152 | K8Rb | 9 | -9.709101 | 3.228724 |
7,546 | 3,300,152 | K8Rb | 9 | -9.708311 | 3.229514 |
7,547 | 3,287,906 | Ge4K6 | 10 | -25.338687 | 3.553289 |
7,548 | 3,287,906 | Ge4K6 | 10 | -25.327945 | 3.564031 |
7,549 | 3,291,967 | Ge4K5 | 9 | -24.63835 | 2.809871 |
7,550 | 3,291,967 | Ge4K5 | 9 | -24.633514 | 2.814708 |
7,551 | 3,300,456 | Ge8Rb | 9 | -35.548819 | 6.297874 |
7,552 | 3,300,456 | Ge8Rb | 9 | -35.689285 | 6.157408 |
7,553 | 3,300,456 | Ge8Rb | 9 | -35.59801 | 6.248683 |
7,554 | 3,300,456 | Ge8Rb | 9 | -35.507447 | 6.339246 |
7,555 | 3,300,456 | Ge8Rb | 9 | -35.390191 | 6.456502 |
7,556 | 3,300,456 | Ge8Rb | 9 | -35.280324 | 6.566369 |
7,557 | 3,300,456 | Ge8Rb | 9 | -34.977157 | 6.869536 |
7,558 | 3,300,456 | Ge8Rb | 9 | -34.6297 | 7.216993 |
7,559 | 3,300,456 | Ge8Rb | 9 | -34.154284 | 7.692409 |
7,560 | 3,300,456 | Ge8Rb | 9 | -33.284618 | 8.562075 |
7,561 | 3,300,456 | Ge8Rb | 9 | -32.482427 | 9.364266 |
7,562 | 3,300,456 | Ge8Rb | 9 | -26.427473 | 15.41922 |
7,563 | 3,300,456 | Ge8Rb | 9 | -12.671523 | 29.17517 |
7,564 | 3,300,456 | Ge8Rb | 9 | -22.692504 | 19.154188 |
7,565 | 3,300,456 | Ge8Rb | 9 | -14.477215 | 27.369478 |
7,566 | 3,300,456 | Ge8Rb | 9 | -12.972418 | 28.874275 |
7,567 | 3,295,431 | Ge2Rb4 | 6 | -13.228421 | 2.43747 |
7,568 | 3,295,431 | Ge2Rb4 | 6 | -13.225951 | 2.439939 |
7,569 | 3,297,989 | Ir2Mg8 | 10 | -32.21375 | -0.381898 |
7,570 | 3,297,989 | Ir2Mg8 | 10 | -32.175728 | -0.343875 |
7,571 | 3,291,393 | Ir6Mg14 | 20 | -79.62592 | -1.50676 |
7,572 | 3,291,393 | Ir6Mg14 | 20 | -79.580791 | -1.461631 |
7,573 | 3,287,847 | O12Tb8 | 20 | -165.199325 | -37.808731 |
7,574 | 3,287,847 | O12Tb8 | 20 | -165.08162 | -37.691026 |
7,575 | 3,298,232 | F8Tc2 | 10 | -54.816158 | 5.692595 |
7,576 | 3,298,232 | F8Tc2 | 10 | -54.716015 | 5.792739 |
7,577 | 3,298,232 | F8Tc2 | 10 | -54.401841 | 6.106912 |
7,578 | 3,298,232 | F8Tc2 | 10 | -54.196299 | 6.312455 |
7,579 | 3,298,232 | F8Tc2 | 10 | -54.02407 | 6.484683 |
7,580 | 3,298,232 | F8Tc2 | 10 | -53.790928 | 6.717825 |
7,581 | 3,298,232 | F8Tc2 | 10 | -53.77583 | 6.732924 |
7,582 | 3,288,006 | N2Tb3 | 5 | -37.026813 | -5.176966 |
7,583 | 3,288,006 | N2Tb3 | 5 | -37.018983 | -5.169136 |
7,584 | 3,294,725 | Ag2Zn4 | 6 | -11.051919 | -1.213373 |
7,585 | 3,294,725 | Ag2Zn4 | 6 | -11.048979 | -1.210432 |
7,586 | 3,294,303 | AgZn12 | 13 | -12.357916 | 5.53787 |
7,587 | 3,294,303 | AgZn12 | 13 | -12.331879 | 5.563907 |
7,588 | 3,297,274 | Er2Sn8 | 10 | -42.724579 | -1.137927 |
7,589 | 3,297,274 | Er2Sn8 | 10 | -42.719687 | -1.133035 |
7,590 | 3,287,313 | Er12Sn8 | 20 | -98.267681 | -12.157755 |
7,591 | 3,287,313 | Er12Sn8 | 20 | -98.262553 | -12.152627 |
7,592 | 3,294,423 | Na12Rb | 13 | -16.544423 | 4.777184 |
7,593 | 3,294,423 | Na12Rb | 13 | -16.540363 | 4.781244 |
7,594 | 3,298,913 | Na5Rb | 6 | -7.280668 | 2.41288 |
7,595 | 3,298,913 | Na5Rb | 6 | -7.215888 | 2.47766 |
7,596 | 3,298,913 | Na5Rb | 6 | -7.1628 | 2.530748 |
7,597 | 3,286,733 | Na4Rb6 | 10 | -10.5572 | 4.414153 |
7,598 | 3,286,733 | Na4Rb6 | 10 | -10.556339 | 4.415014 |
7,599 | 3,296,416 | Na9Rb3 | 12 | -14.595089 | 4.518646 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.