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 |
|---|---|---|---|---|---|
9,400 | 3,292,682 | Dy5N4 | 9 | -59.799697 | -0.834979 |
9,401 | 3,295,326 | Mn2Ta4 | 6 | -61.702687 | 2.357626 |
9,402 | 3,295,326 | Mn2Ta4 | 6 | -61.836939 | 2.223373 |
9,403 | 3,295,326 | Mn2Ta4 | 6 | -61.725085 | 2.335228 |
9,404 | 3,295,326 | Mn2Ta4 | 6 | -61.657563 | 2.402749 |
9,405 | 3,295,326 | Mn2Ta4 | 6 | -61.550753 | 2.50956 |
9,406 | 3,295,326 | Mn2Ta4 | 6 | -61.459046 | 2.601266 |
9,407 | 3,295,326 | Mn2Ta4 | 6 | -61.103968 | 2.956345 |
9,408 | 3,295,326 | Mn2Ta4 | 6 | -60.932318 | 3.127994 |
9,409 | 3,295,326 | Mn2Ta4 | 6 | -60.839275 | 3.221037 |
9,410 | 3,295,326 | Mn2Ta4 | 6 | -60.755706 | 3.304606 |
9,411 | 3,295,326 | Mn2Ta4 | 6 | -59.171511 | 4.888802 |
9,412 | 3,295,326 | Mn2Ta4 | 6 | -60.06696 | 3.993353 |
9,413 | 3,295,326 | Mn2Ta4 | 6 | -47.130084 | 16.930228 |
9,414 | 3,295,326 | Mn2Ta4 | 6 | -45.34443 | 18.715883 |
9,415 | 3,295,326 | Mn2Ta4 | 6 | -34.257441 | 29.802871 |
9,416 | 3,298,270 | Mn2Ta8 | 10 | -109.601518 | 1.365585 |
9,417 | 3,298,270 | Mn2Ta8 | 10 | -109.589882 | 1.377221 |
9,418 | 3,297,106 | Mn9Ta3 | 12 | -119.318698 | -6.947758 |
9,419 | 3,297,106 | Mn9Ta3 | 12 | -118.911248 | -6.540308 |
9,420 | 3,297,106 | Mn9Ta3 | 12 | -119.192751 | -6.821811 |
9,421 | 3,298,233 | F8N2 | 10 | -32.955258 | 26.291922 |
9,422 | 3,298,233 | F8N2 | 10 | -32.716618 | 26.530563 |
9,423 | 3,298,233 | F8N2 | 10 | -32.561597 | 26.685584 |
9,424 | 3,298,233 | F8N2 | 10 | -32.049669 | 27.197512 |
9,425 | 3,298,233 | F8N2 | 10 | -31.553315 | 27.693866 |
9,426 | 3,298,233 | F8N2 | 10 | -30.994167 | 28.253014 |
9,427 | 3,292,536 | Nd4S5 | 9 | -51.323462 | -5.098284 |
9,428 | 3,292,536 | Nd4S5 | 9 | -51.315165 | -5.089987 |
9,429 | 3,288,130 | Re6Ru4 | 10 | -112.306493 | -6.929917 |
9,430 | 3,288,130 | Re6Ru4 | 10 | -112.304356 | -6.927779 |
9,431 | 3,299,652 | Pt7Tl | 8 | -44.628683 | 3.715628 |
9,432 | 3,299,652 | Pt7Tl | 8 | -44.625851 | 3.71846 |
9,433 | 3,285,607 | Ge2Li13 | 15 | -32.997421 | 7.45306 |
9,434 | 3,285,607 | Ge2Li13 | 15 | -32.87394 | 7.576541 |
9,435 | 3,289,174 | Ge3Li13 | 16 | -41.300912 | 4.206931 |
9,436 | 3,289,174 | Ge3Li13 | 16 | -41.226632 | 4.281211 |
9,437 | 3,290,545 | Ge6Li10 | 16 | -51.248934 | 2.430438 |
9,438 | 3,290,545 | Ge6Li10 | 16 | -51.217591 | 2.461781 |
9,439 | 3,291,960 | Ge4Li5 | 9 | -30.649024 | 1.248025 |
9,440 | 3,291,960 | Ge4Li5 | 9 | -30.634119 | 1.26293 |
9,441 | 3,288,012 | Ge3Li2 | 5 | -17.886729 | 1.952399 |
9,442 | 3,288,012 | Ge3Li2 | 5 | -17.880365 | 1.958763 |
9,443 | 3,289,670 | Se3Tl4 | 7 | -21.951631 | 0.987714 |
9,444 | 3,289,670 | Se3Tl4 | 7 | -21.917081 | 1.022264 |
9,445 | 3,296,708 | Se6Tl2 | 8 | -25.964751 | 7.163685 |
9,446 | 3,296,708 | Se6Tl2 | 8 | -25.949087 | 7.179348 |
9,447 | 3,287,634 | Se12Tl8 | 20 | -64.040985 | 10.716056 |
9,448 | 3,287,634 | Se12Tl8 | 20 | -63.984993 | 10.772048 |
9,449 | 3,292,803 | Se5Tl6 | 11 | -34.588368 | 2.227179 |
9,450 | 3,292,803 | Se5Tl6 | 11 | -34.550453 | 2.265094 |
9,451 | 3,292,517 | Se4Tl5 | 9 | -27.701511 | 2.175935 |
9,452 | 3,292,517 | Se4Tl5 | 9 | -27.661978 | 2.215468 |
9,453 | 3,296,649 | P4V12 | 16 | -141.481057 | -11.044652 |
9,454 | 3,296,649 | P4V12 | 16 | -141.480293 | -11.043888 |
9,455 | 3,290,380 | Mg3Sc5 | 8 | -36.62926 | 1.305813 |
9,456 | 3,290,380 | Mg3Sc5 | 8 | -36.617452 | 1.317622 |
9,457 | 3,293,881 | Ta2Ti2 | 4 | -39.224961 | 0.945668 |
9,458 | 3,293,881 | Ta2Ti2 | 4 | -39.222944 | 0.947685 |
9,459 | 3,288,342 | B4Re10 | 14 | -153.37546 | -10.827743 |
9,460 | 3,288,342 | B4Re10 | 14 | -153.217166 | -10.669449 |
9,461 | 3,288,342 | B4Re10 | 14 | -153.328004 | -10.780287 |
9,462 | 3,292,556 | Ni5Rh4 | 9 | -57.971391 | 1.333511 |
9,463 | 3,292,556 | Ni5Rh4 | 9 | -57.704822 | 1.60008 |
9,464 | 3,292,556 | Ni5Rh4 | 9 | -57.822645 | 1.482257 |
9,465 | 3,297,898 | B2Re8 | 10 | -113.262385 | -7.612137 |
9,466 | 3,297,898 | B2Re8 | 10 | -113.111695 | -7.461447 |
9,467 | 3,295,384 | B2Re4 | 6 | -64.114032 | -4.29897 |
9,468 | 3,295,384 | B2Re4 | 6 | -64.112065 | -4.297003 |
9,469 | 3,290,898 | La5Tl3 | 8 | -34.049302 | -1.925902 |
9,470 | 3,290,898 | La5Tl3 | 8 | -34.037857 | -1.914457 |
9,471 | 3,292,898 | Ni5Rh6 | 11 | -71.229315 | 3.517366 |
9,472 | 3,292,898 | Ni5Rh6 | 11 | -70.990536 | 3.756145 |
9,473 | 3,292,898 | Ni5Rh6 | 11 | -71.095761 | 3.65092 |
9,474 | 3,291,187 | Ni7Rh3 | 10 | -62.200116 | 0.752435 |
9,475 | 3,291,187 | Ni7Rh3 | 10 | -62.200904 | 0.751647 |
9,476 | 3,287,270 | Ni8Rh12 | 20 | -128.776125 | 9.348698 |
9,477 | 3,287,270 | Ni8Rh12 | 20 | -128.463265 | 9.661558 |
9,478 | 3,287,270 | Ni8Rh12 | 20 | -128.632782 | 9.492042 |
9,479 | 3,290,618 | Ni5Rh3 | 8 | -50.687746 | 0.896267 |
9,480 | 3,290,618 | Ni5Rh3 | 8 | -50.688131 | 0.895882 |
9,481 | 3,297,329 | Ni8Rh2 | 10 | -56.940174 | 3.975757 |
9,482 | 3,297,329 | Ni8Rh2 | 10 | -56.650637 | 4.265294 |
9,483 | 3,297,329 | Ni8Rh2 | 10 | -56.63988 | 4.27605 |
9,484 | 3,292,349 | Ni4Rh5 | 9 | -59.435254 | 1.906269 |
9,485 | 3,292,349 | Ni4Rh5 | 9 | -59.233421 | 2.108101 |
9,486 | 3,292,349 | Ni4Rh5 | 9 | -59.334482 | 2.007041 |
9,487 | 3,289,954 | Ni8Rh6 | 14 | -88.649645 | 3.149843 |
9,488 | 3,289,954 | Ni8Rh6 | 14 | -88.406801 | 3.392687 |
9,489 | 3,289,954 | Ni8Rh6 | 14 | -88.510512 | 3.288975 |
9,490 | 3,291,188 | Ni3Rh7 | 10 | -68.308352 | 2.79068 |
9,491 | 3,291,188 | Ni3Rh7 | 10 | -68.129694 | 2.969338 |
9,492 | 3,291,188 | Ni3Rh7 | 10 | -68.235751 | 2.863281 |
9,493 | 3,287,854 | B2Ta3 | 5 | -48.437424 | 0.722544 |
9,494 | 3,287,854 | B2Ta3 | 5 | -48.436694 | 0.723274 |
9,495 | 3,293,754 | Pd4Se4 | 8 | -35.573268 | 5.841992 |
9,496 | 3,293,754 | Pd4Se4 | 8 | -35.57255 | 5.842711 |
9,497 | 3,289,755 | Au4Cs3 | 7 | -17.755537 | -0.434611 |
9,498 | 3,289,755 | Au4Cs3 | 7 | -17.719572 | -0.398647 |
9,499 | 3,297,877 | Rh2Y8 | 10 | -69.904745 | -3.268184 |
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