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 |
|---|---|---|---|---|---|
11,400 | 3,298,677 | Pa5Zn | 6 | -48.493628 | 5.321102 |
11,401 | 3,298,339 | Ce4Ga16 | 20 | -74.137876 | 5.615676 |
11,402 | 3,298,339 | Ce4Ga16 | 20 | -73.896976 | 5.856575 |
11,403 | 3,298,339 | Ce4Ga16 | 20 | -73.512581 | 6.240971 |
11,404 | 3,298,339 | Ce4Ga16 | 20 | -73.171592 | 6.581959 |
11,405 | 3,298,339 | Ce4Ga16 | 20 | -72.455001 | 7.298551 |
11,406 | 3,298,339 | Ce4Ga16 | 20 | -71.970793 | 7.782758 |
11,407 | 3,298,339 | Ce4Ga16 | 20 | -71.720813 | 8.032739 |
11,408 | 3,298,339 | Ce4Ga16 | 20 | -71.505759 | 8.247793 |
11,409 | 3,298,339 | Ce4Ga16 | 20 | -71.302194 | 8.451358 |
11,410 | 3,298,339 | Ce4Ga16 | 20 | -71.049697 | 8.703855 |
11,411 | 3,298,339 | Ce4Ga16 | 20 | -70.833236 | 8.920316 |
11,412 | 3,298,339 | Ce4Ga16 | 20 | -70.607273 | 9.146278 |
11,413 | 3,298,339 | Ce4Ga16 | 20 | -69.986808 | 9.766743 |
11,414 | 3,298,339 | Ce4Ga16 | 20 | -70.456956 | 9.296595 |
11,415 | 3,298,339 | Ce4Ga16 | 20 | -70.208394 | 9.545158 |
11,416 | 3,298,339 | Ce4Ga16 | 20 | -69.932416 | 9.821135 |
11,417 | 3,298,339 | Ce4Ga16 | 20 | -68.53735 | 11.216202 |
11,418 | 3,298,339 | Ce4Ga16 | 20 | -68.193404 | 11.560147 |
11,419 | 3,289,518 | Ce4Ga3 | 7 | -34.471005 | 2.399553 |
11,420 | 3,289,518 | Ce4Ga3 | 7 | -34.466525 | 2.404034 |
11,421 | 3,298,912 | Ce5Ga | 6 | -33.244889 | 3.771906 |
11,422 | 3,298,912 | Ce5Ga | 6 | -33.23393 | 3.782865 |
11,423 | 3,291,204 | Ce7Ga3 | 10 | -53.671633 | 3.429787 |
11,424 | 3,291,204 | Ce7Ga3 | 10 | -53.630801 | 3.470619 |
11,425 | 3,299,613 | Hg6Li | 7 | -4.265701 | -1.431439 |
11,426 | 3,299,613 | Hg6Li | 7 | -4.397664 | -1.563402 |
11,427 | 3,299,613 | Hg6Li | 7 | -4.172059 | -1.337796 |
11,428 | 3,299,613 | Hg6Li | 7 | -4.385402 | -1.55114 |
11,429 | 3,299,613 | Hg6Li | 7 | -4.265477 | -1.431214 |
11,430 | 3,299,613 | Hg6Li | 7 | -4.180654 | -1.346392 |
11,431 | 3,299,613 | Hg6Li | 7 | -3.892275 | -1.058013 |
11,432 | 3,299,613 | Hg6Li | 7 | -3.051945 | -0.217682 |
11,433 | 3,299,613 | Hg6Li | 7 | -3.61167 | -0.777408 |
11,434 | 3,299,613 | Hg6Li | 7 | -3.591586 | -0.757323 |
11,435 | 3,299,613 | Hg6Li | 7 | -2.12799 | 0.706272 |
11,436 | 3,299,613 | Hg6Li | 7 | -1.730359 | 1.103903 |
11,437 | 3,299,613 | Hg6Li | 7 | -1.547297 | 1.286966 |
11,438 | 3,299,613 | Hg6Li | 7 | -1.485317 | 1.348945 |
11,439 | 3,295,558 | In4Pm2 | 6 | -22.494382 | -1.978975 |
11,440 | 3,295,558 | In4Pm2 | 6 | -22.489282 | -1.973874 |
11,441 | 3,300,297 | InPm8 | 9 | -41.371779 | -0.42578 |
11,442 | 3,300,297 | InPm8 | 9 | -41.370711 | -0.424712 |
11,443 | 3,300,269 | AlMg8 | 9 | -16.416129 | 1.62235 |
11,444 | 3,300,269 | AlMg8 | 9 | -16.508987 | 1.529492 |
11,445 | 3,300,269 | AlMg8 | 9 | -15.959233 | 2.079246 |
11,446 | 3,300,269 | AlMg8 | 9 | -15.802024 | 2.236455 |
11,447 | 3,300,269 | AlMg8 | 9 | -15.925868 | 2.112611 |
11,448 | 3,300,269 | AlMg8 | 9 | -15.814525 | 2.223954 |
11,449 | 3,300,269 | AlMg8 | 9 | -15.256963 | 2.781516 |
11,450 | 3,300,269 | AlMg8 | 9 | -14.614433 | 3.424045 |
11,451 | 3,300,269 | AlMg8 | 9 | -12.218828 | 5.819651 |
11,452 | 3,300,269 | AlMg8 | 9 | -14.491889 | 3.54659 |
11,453 | 3,300,269 | AlMg8 | 9 | -7.101887 | 10.936592 |
11,454 | 3,300,269 | AlMg8 | 9 | -4.187553 | 13.850926 |
11,455 | 3,300,269 | AlMg8 | 9 | -3.55733 | 14.481149 |
11,456 | 3,296,406 | AlLa3 | 4 | -17.755378 | 1.830946 |
11,457 | 3,296,406 | AlLa3 | 4 | -17.738597 | 1.847727 |
11,458 | 3,286,172 | Al2La13 | 15 | -72.630074 | 2.590156 |
11,459 | 3,286,172 | Al2La13 | 15 | -72.628289 | 2.591941 |
11,460 | 3,287,979 | N2Y3 | 5 | -42.65326 | -5.188044 |
11,461 | 3,287,979 | N2Y3 | 5 | -42.645531 | -5.180314 |
11,462 | 3,288,253 | F10Fe4 | 14 | -74.569044 | 7.822589 |
11,463 | 3,288,253 | F10Fe4 | 14 | -74.428955 | 7.962678 |
11,464 | 3,288,253 | F10Fe4 | 14 | -74.210612 | 8.181021 |
11,465 | 3,288,253 | F10Fe4 | 14 | -73.868778 | 8.522855 |
11,466 | 3,288,253 | F10Fe4 | 14 | -64.812355 | 17.579277 |
11,467 | 3,288,253 | F10Fe4 | 14 | -64.664262 | 17.727371 |
11,468 | 3,288,253 | F10Fe4 | 14 | -64.329661 | 18.061972 |
11,469 | 3,288,253 | F10Fe4 | 14 | -64.799623 | 17.59201 |
11,470 | 3,292,676 | N4Sm5 | 9 | -59.646627 | 0.250079 |
11,471 | 3,292,676 | N4Sm5 | 9 | -59.60005 | 0.296657 |
11,472 | 3,293,852 | Si4Tb4 | 8 | -46.489996 | -4.397773 |
11,473 | 3,293,852 | Si4Tb4 | 8 | -46.489885 | -4.397663 |
11,474 | 3,292,681 | N4Pm5 | 9 | -59.669381 | 0.743064 |
11,475 | 3,292,681 | N4Pm5 | 9 | -59.620364 | 0.792081 |
11,476 | 3,288,512 | Bi10Ir4 | 14 | -73.301931 | 2.127592 |
11,477 | 3,288,512 | Bi10Ir4 | 14 | -73.299339 | 2.130183 |
11,478 | 3,297,993 | Bi8Ir2 | 10 | -48.076516 | 1.508661 |
11,479 | 3,297,993 | Bi8Ir2 | 10 | -48.075191 | 1.509987 |
11,480 | 3,297,985 | Li8N2 | 10 | -34.435645 | 2.499685 |
11,481 | 3,297,985 | Li8N2 | 10 | -34.421628 | 2.513702 |
11,482 | 3,295,415 | Co4Cr2 | 6 | -46.892249 | -2.279819 |
11,483 | 3,295,415 | Co4Cr2 | 6 | -46.789329 | -2.176898 |
11,484 | 3,291,736 | Hg3Li8 | 11 | -17.518773 | 1.399755 |
11,485 | 3,291,736 | Hg3Li8 | 11 | -17.423437 | 1.495091 |
11,486 | 3,289,271 | Hg3Li13 | 16 | -28.835826 | 1.750301 |
11,487 | 3,289,271 | Hg3Li13 | 16 | -28.668586 | 1.917541 |
11,488 | 3,299,612 | HgLi6 | 7 | -12.3639 | 1.720675 |
11,489 | 3,299,612 | HgLi6 | 7 | -12.267756 | 1.816819 |
11,490 | 3,288,509 | Hg10Li4 | 14 | -13.506195 | -3.337545 |
11,491 | 3,288,509 | Hg10Li4 | 14 | -13.504882 | -3.336232 |
11,492 | 3,293,259 | Hg5Li7 | 12 | -18.606298 | -1.854375 |
11,493 | 3,293,259 | Hg5Li7 | 12 | -18.541837 | -1.789914 |
11,494 | 3,287,339 | Hg4Li6 | 10 | -14.934629 | -0.599683 |
11,495 | 3,287,339 | Hg4Li6 | 10 | -14.881473 | -0.546527 |
11,496 | 3,285,940 | Hg2Li13 | 15 | -26.463782 | 4.038887 |
11,497 | 3,285,940 | Hg2Li13 | 15 | -26.256438 | 4.246232 |
11,498 | 3,289,976 | Hg4Li3 | 7 | -9.159526 | -1.825139 |
11,499 | 3,289,976 | Hg4Li3 | 7 | -9.148941 | -1.814553 |
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