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 |
|---|---|---|---|---|---|
7,400 | 3,293,663 | Rb2Se2 | 4 | -12.070517 | 0.331182 |
7,401 | 3,291,015 | Pr6Se10 | 16 | -91.562839 | -15.130104 |
7,402 | 3,291,015 | Pr6Se10 | 16 | -91.556719 | -15.123984 |
7,403 | 3,287,983 | Pr3Se2 | 5 | -28.327692 | -4.550499 |
7,404 | 3,287,983 | Pr3Se2 | 5 | -28.325805 | -4.548612 |
7,405 | 3,295,282 | Ge2Mn4 | 6 | -42.301341 | 2.120427 |
7,406 | 3,295,282 | Ge2Mn4 | 6 | -42.5097 | 1.912069 |
7,407 | 3,295,282 | Ge2Mn4 | 6 | -42.422643 | 1.999126 |
7,408 | 3,295,282 | Ge2Mn4 | 6 | -41.97506 | 2.446708 |
7,409 | 3,295,282 | Ge2Mn4 | 6 | -42.454876 | 1.966892 |
7,410 | 3,295,282 | Ge2Mn4 | 6 | -42.349529 | 2.072239 |
7,411 | 3,295,282 | Ge2Mn4 | 6 | -42.280911 | 2.140857 |
7,412 | 3,295,282 | Ge2Mn4 | 6 | -42.220256 | 2.201513 |
7,413 | 3,295,282 | Ge2Mn4 | 6 | -42.064128 | 2.357641 |
7,414 | 3,295,282 | Ge2Mn4 | 6 | -39.607929 | 4.813839 |
7,415 | 3,295,282 | Ge2Mn4 | 6 | -20.415636 | 24.006132 |
7,416 | 3,295,282 | Ge2Mn4 | 6 | -38.330541 | 6.091228 |
7,417 | 3,295,282 | Ge2Mn4 | 6 | -34.286788 | 10.13498 |
7,418 | 3,295,084 | Fe2Ir4 | 6 | -52.528756 | -1.083976 |
7,419 | 3,295,084 | Fe2Ir4 | 6 | -52.224594 | -0.779814 |
7,420 | 3,295,084 | Fe2Ir4 | 6 | -52.415845 | -0.971065 |
7,421 | 3,287,769 | Fe2Ir3 | 5 | -40.54956 | 1.929853 |
7,422 | 3,287,769 | Fe2Ir3 | 5 | -40.430769 | 2.048644 |
7,423 | 3,287,769 | Fe2Ir3 | 5 | -40.319979 | 2.159434 |
7,424 | 3,287,769 | Fe2Ir3 | 5 | -40.236963 | 2.24245 |
7,425 | 3,287,769 | Fe2Ir3 | 5 | -40.177179 | 2.302234 |
7,426 | 3,287,769 | Fe2Ir3 | 5 | -40.039386 | 2.440027 |
7,427 | 3,287,769 | Fe2Ir3 | 5 | -40.050267 | 2.429146 |
7,428 | 3,297,108 | Fe9Ta3 | 12 | -112.967853 | -7.662857 |
7,429 | 3,297,108 | Fe9Ta3 | 12 | -112.774548 | -7.469551 |
7,430 | 3,297,108 | Fe9Ta3 | 12 | -112.808113 | -7.503116 |
7,431 | 3,292,830 | Cu5I6 | 11 | -30.064294 | 2.731728 |
7,432 | 3,292,830 | Cu5I6 | 11 | -29.936163 | 2.859859 |
7,433 | 3,292,830 | Cu5I6 | 11 | -29.797861 | 2.998161 |
7,434 | 3,292,830 | Cu5I6 | 11 | -29.684513 | 3.111509 |
7,435 | 3,292,830 | Cu5I6 | 11 | -29.547144 | 3.248878 |
7,436 | 3,292,372 | Fe4Ir5 | 9 | -78.10853 | -2.115071 |
7,437 | 3,292,372 | Fe4Ir5 | 9 | -78.01156 | -2.018101 |
7,438 | 3,292,372 | Fe4Ir5 | 9 | -77.741468 | -1.748009 |
7,439 | 3,292,372 | Fe4Ir5 | 9 | -77.759464 | -1.766005 |
7,440 | 3,289,224 | Cu13In3 | 16 | -60.810395 | -3.900207 |
7,441 | 3,289,224 | Cu13In3 | 16 | -60.613486 | -3.703298 |
7,442 | 3,289,224 | Cu13In3 | 16 | -60.451164 | -3.540976 |
7,443 | 3,289,224 | Cu13In3 | 16 | -60.153855 | -3.243667 |
7,444 | 3,289,224 | Cu13In3 | 16 | -60.367639 | -3.457451 |
7,445 | 3,289,224 | Cu13In3 | 16 | -59.93555 | -3.025362 |
7,446 | 3,298,330 | Ni4Re | 5 | -35.60599 | -1.410117 |
7,447 | 3,298,330 | Ni4Re | 5 | -35.406188 | -1.210315 |
7,448 | 3,298,330 | Ni4Re | 5 | -35.51256 | -1.316687 |
7,449 | 3,299,020 | Rh10Zn2 | 12 | -76.963072 | 2.841123 |
7,450 | 3,299,020 | Rh10Zn2 | 12 | -76.959718 | 2.844477 |
7,451 | 3,297,366 | Rh2Zn8 | 10 | -25.862117 | -0.039128 |
7,452 | 3,297,366 | Rh2Zn8 | 10 | -25.847532 | -0.024544 |
7,453 | 3,288,623 | Pr10Sb4 | 14 | -73.458701 | -8.762934 |
7,454 | 3,288,623 | Pr10Sb4 | 14 | -73.455475 | -8.759709 |
7,455 | 3,299,019 | Hg5Rb | 6 | -3.374394 | -1.569317 |
7,456 | 3,299,019 | Hg5Rb | 6 | -3.318564 | -1.513487 |
7,457 | 3,289,754 | Hg4Rb3 | 7 | -5.84156 | -1.344358 |
7,458 | 3,289,754 | Hg4Rb3 | 7 | -5.797246 | -1.300044 |
7,459 | 3,288,988 | K14Rb4 | 18 | -18.57827 | 7.185454 |
7,460 | 3,288,988 | K14Rb4 | 18 | -18.569143 | 7.19458 |
7,461 | 3,290,051 | Pr4Sn3 | 7 | -34.930543 | -3.806693 |
7,462 | 3,290,051 | Pr4Sn3 | 7 | -34.929104 | -3.805254 |
7,463 | 3,292,795 | Pr6Sn5 | 11 | -55.382316 | -6.653917 |
7,464 | 3,292,795 | Pr6Sn5 | 11 | -55.371694 | -6.643296 |
7,465 | 3,299,098 | Pr5Sn | 6 | -28.975489 | -1.305113 |
7,466 | 3,299,098 | Pr5Sn | 6 | -28.564966 | -0.89459 |
7,467 | 3,299,098 | Pr5Sn | 6 | -23.120276 | 4.550099 |
7,468 | 3,291,657 | Pr8Sn3 | 11 | -52.183778 | -2.191828 |
7,469 | 3,291,657 | Pr8Sn3 | 11 | -52.182627 | -2.190677 |
7,470 | 3,295,069 | Pr4Sn2 | 6 | -30.638283 | -3.599683 |
7,471 | 3,295,069 | Pr4Sn2 | 6 | -30.637506 | -3.598906 |
7,472 | 3,291,156 | Pr7Sn3 | 10 | -50.455047 | -5.180122 |
7,473 | 3,291,156 | Pr7Sn3 | 10 | -50.455138 | -5.180214 |
7,474 | 3,286,678 | Pr12Sn8 | 20 | -101.515356 | -12.229057 |
7,475 | 3,286,678 | Pr12Sn8 | 20 | -101.492261 | -12.205962 |
7,476 | 3,286,302 | Hg13Rb2 | 15 | -7.268796 | -3.408271 |
7,477 | 3,286,302 | Hg13Rb2 | 15 | -7.116565 | -3.25604 |
7,478 | 3,289,253 | Hg13Rb3 | 16 | -9.512185 | -4.263869 |
7,479 | 3,289,253 | Hg13Rb3 | 16 | -9.349917 | -4.101601 |
7,480 | 3,289,253 | Hg13Rb3 | 16 | -9.185309 | -3.936993 |
7,481 | 3,289,253 | Hg13Rb3 | 16 | -9.011675 | -3.763359 |
7,482 | 3,290,070 | Hg3Rb4 | 7 | -5.962958 | -0.161421 |
7,483 | 3,290,070 | Hg3Rb4 | 7 | -5.929723 | -0.128186 |
7,484 | 3,288,044 | Hg6Rb4 | 10 | -8.058667 | -2.006759 |
7,485 | 3,288,044 | Hg6Rb4 | 10 | -7.999407 | -1.9475 |
7,486 | 3,292,414 | Pr5Sb4 | 9 | -48.436861 | -7.32622 |
7,487 | 3,292,414 | Pr5Sb4 | 9 | -48.436071 | -7.325431 |
7,488 | 3,286,351 | Nb13Pa2 | 15 | -136.934364 | 14.600412 |
7,489 | 3,286,351 | Nb13Pa2 | 15 | -136.926082 | 14.608694 |
7,490 | 3,287,903 | Ge4Rb6 | 10 | -23.879089 | 4.677109 |
7,491 | 3,287,903 | Ge4Rb6 | 10 | -23.870668 | 4.68553 |
7,492 | 3,287,468 | Pr6Sb4 | 10 | -53.937385 | -8.109719 |
7,493 | 3,287,468 | Pr6Sb4 | 10 | -53.936698 | -8.109033 |
7,494 | 3,291,959 | Ge4Rb5 | 9 | -23.70784 | 3.460566 |
7,495 | 3,291,959 | Ge4Rb5 | 9 | -23.705477 | 3.46293 |
7,496 | 3,296,641 | Pr6Sb2 | 8 | -41.139706 | -4.074798 |
7,497 | 3,296,641 | Pr6Sb2 | 8 | -41.138416 | -4.073507 |
7,498 | 3,296,948 | Pr2Sb6 | 8 | -38.266151 | -2.543828 |
7,499 | 3,296,948 | Pr2Sb6 | 8 | -38.265796 | -2.543474 |
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