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 |
|---|---|---|---|---|---|
500 | 3,286,757 | Au8Th12 | 20 | -123.235423 | -4.6958 |
501 | 3,286,757 | Au8Th12 | 20 | -123.236919 | -4.697296 |
502 | 3,294,769 | Re4V8 | 12 | -123.013901 | -6.525382 |
503 | 3,294,769 | Re4V8 | 12 | -122.556431 | -6.067912 |
504 | 3,294,769 | Re4V8 | 12 | -122.885712 | -6.397193 |
505 | 3,289,575 | Mo8V6 | 14 | -143.224387 | -11.934796 |
506 | 3,289,575 | Mo8V6 | 14 | -143.224576 | -11.934985 |
507 | 3,294,570 | Mo4V2 | 6 | -54.716027 | 2.097102 |
508 | 3,294,570 | Mo4V2 | 6 | -54.890633 | 1.922496 |
509 | 3,294,570 | Mo4V2 | 6 | -54.825211 | 1.987918 |
510 | 3,294,570 | Mo4V2 | 6 | -54.669157 | 2.143972 |
511 | 3,294,570 | Mo4V2 | 6 | -54.267431 | 2.545698 |
512 | 3,294,570 | Mo4V2 | 6 | -53.772497 | 3.040632 |
513 | 3,294,570 | Mo4V2 | 6 | -53.548814 | 3.264315 |
514 | 3,294,570 | Mo4V2 | 6 | -53.247274 | 3.565855 |
515 | 3,294,570 | Mo4V2 | 6 | -52.854098 | 3.959031 |
516 | 3,294,570 | Mo4V2 | 6 | -52.608031 | 4.205098 |
517 | 3,294,570 | Mo4V2 | 6 | -49.633919 | 7.17921 |
518 | 3,294,570 | Mo4V2 | 6 | -50.465062 | 6.348067 |
519 | 3,294,570 | Mo4V2 | 6 | -49.647625 | 7.165504 |
520 | 3,294,570 | Mo4V2 | 6 | -38.863435 | 17.949694 |
521 | 3,294,570 | Mo4V2 | 6 | -34.304211 | 22.508918 |
522 | 3,292,469 | Hg4Th5 | 9 | -39.497697 | -0.729435 |
523 | 3,292,469 | Hg4Th5 | 9 | -39.498893 | -0.730631 |
524 | 3,287,622 | Ga4In6 | 10 | -28.190496 | 1.450525 |
525 | 3,287,622 | Ga4In6 | 10 | -28.034266 | 1.606754 |
526 | 3,287,622 | Ga4In6 | 10 | -27.932825 | 1.708195 |
527 | 3,287,622 | Ga4In6 | 10 | -27.761196 | 1.879824 |
528 | 3,287,622 | Ga4In6 | 10 | -27.882343 | 1.758677 |
529 | 3,287,622 | Ga4In6 | 10 | -27.775588 | 1.865432 |
530 | 3,287,622 | Ga4In6 | 10 | -27.67527 | 1.96575 |
531 | 3,287,622 | Ga4In6 | 10 | -27.648311 | 1.992709 |
532 | 3,295,790 | Pa4Zr2 | 6 | -54.667815 | 5.004955 |
533 | 3,295,790 | Pa4Zr2 | 6 | -54.66794 | 5.00483 |
534 | 3,290,236 | Fe8V6 | 14 | -124.097834 | -8.774587 |
535 | 3,290,236 | Fe8V6 | 14 | -123.950096 | -8.626849 |
536 | 3,290,236 | Fe8V6 | 14 | -123.714368 | -8.391121 |
537 | 3,290,236 | Fe8V6 | 14 | -123.602674 | -8.279427 |
538 | 3,291,180 | Ag7In3 | 10 | -28.325087 | -3.834165 |
539 | 3,291,180 | Ag7In3 | 10 | -28.337986 | -3.847064 |
540 | 3,290,296 | Sn8Th6 | 14 | -82.676481 | -3.873163 |
541 | 3,290,296 | Sn8Th6 | 14 | -82.677471 | -3.874154 |
542 | 3,294,929 | Te4Th2 | 6 | -33.762514 | -2.697448 |
543 | 3,294,929 | Te4Th2 | 6 | -33.456269 | -2.391203 |
544 | 3,294,929 | Te4Th2 | 6 | -33.374226 | -2.30916 |
545 | 3,294,929 | Te4Th2 | 6 | -32.145851 | -1.080785 |
546 | 3,294,929 | Te4Th2 | 6 | -31.397375 | -0.33231 |
547 | 3,294,929 | Te4Th2 | 6 | -21.007773 | 10.057293 |
548 | 3,294,929 | Te4Th2 | 6 | -13.578722 | 17.486343 |
549 | 3,285,649 | In2Pt13 | 15 | -80.674357 | 10.643513 |
550 | 3,285,649 | In2Pt13 | 15 | -80.670949 | 10.646921 |
551 | 3,300,547 | IrV8 | 9 | -82.215627 | -2.596928 |
552 | 3,300,547 | IrV8 | 9 | -81.881809 | -2.263109 |
553 | 3,300,547 | IrV8 | 9 | -82.04652 | -2.427821 |
554 | 3,299,801 | Sc7Th | 8 | -51.546019 | 1.951883 |
555 | 3,299,801 | Sc7Th | 8 | -51.546452 | 1.95145 |
556 | 3,286,970 | Ni6V4 | 10 | -70.744316 | -1.312035 |
557 | 3,286,970 | Ni6V4 | 10 | -70.548234 | -1.115953 |
558 | 3,286,970 | Ni6V4 | 10 | -70.582492 | -1.150211 |
559 | 3,297,436 | Sc8Th2 | 10 | -65.149661 | 2.579559 |
560 | 3,297,436 | Sc8Th2 | 10 | -65.150293 | 2.578927 |
561 | 3,290,843 | Th6Tl10 | 16 | -70.563771 | -3.192025 |
562 | 3,290,843 | Th6Tl10 | 16 | -70.564404 | -3.192658 |
563 | 3,295,105 | In2Th4 | 6 | -36.213055 | 0.016577 |
564 | 3,295,105 | In2Th4 | 6 | -36.213249 | 0.016383 |
565 | 3,289,990 | Sc4Th3 | 7 | -46.423381 | 2.815003 |
566 | 3,289,990 | Sc4Th3 | 7 | -46.423725 | 2.814658 |
567 | 3,296,413 | Hg3Th | 4 | -7.774168 | 0.16309 |
568 | 3,296,413 | Hg3Th | 4 | -7.675189 | 0.262069 |
569 | 3,296,413 | Hg3Th | 4 | -7.496457 | 0.440802 |
570 | 3,297,080 | Se6Zr2 | 8 | -45.121322 | 1.416136 |
571 | 3,297,080 | Se6Zr2 | 8 | -45.119777 | 1.417681 |
572 | 3,289,561 | Th4Tl3 | 7 | -36.517255 | 0.60542 |
573 | 3,289,561 | Th4Tl3 | 7 | -36.517448 | 0.605227 |
574 | 3,288,888 | In2Pb5 | 7 | -23.691382 | -0.454266 |
575 | 3,288,888 | In2Pb5 | 7 | -23.683453 | -0.446336 |
576 | 3,292,371 | Ir5V4 | 9 | -84.547577 | -4.394075 |
577 | 3,292,371 | Ir5V4 | 9 | -84.349172 | -4.195671 |
578 | 3,292,371 | Ir5V4 | 9 | -84.510535 | -4.357034 |
579 | 3,299,453 | Cu6In | 7 | -21.257165 | 3.954828 |
580 | 3,299,453 | Cu6In | 7 | -21.690564 | 3.521429 |
581 | 3,299,453 | Cu6In | 7 | -21.539842 | 3.672151 |
582 | 3,299,453 | Cu6In | 7 | -20.759819 | 4.452174 |
583 | 3,299,453 | Cu6In | 7 | -21.052541 | 4.159453 |
584 | 3,299,453 | Cu6In | 7 | -19.904787 | 5.307206 |
585 | 3,299,453 | Cu6In | 7 | -9.618368 | 15.593625 |
586 | 3,299,453 | Cu6In | 7 | -18.675448 | 6.536545 |
587 | 3,299,453 | Cu6In | 7 | -15.618271 | 9.593722 |
588 | 3,288,920 | Pt14Th4 | 18 | -131.286659 | -8.100574 |
589 | 3,288,920 | Pt14Th4 | 18 | -131.286568 | -8.100484 |
590 | 3,287,864 | Ir8V12 | 20 | -184.204426 | -6.501491 |
591 | 3,287,864 | Ir8V12 | 20 | -183.656056 | -5.953122 |
592 | 3,287,864 | Ir8V12 | 20 | -184.054484 | -6.35155 |
593 | 3,293,313 | Hg5In7 | 12 | -20.508198 | -0.903618 |
594 | 3,293,313 | Hg5In7 | 12 | -20.457213 | -0.852633 |
595 | 3,296,995 | Cu6Th2 | 8 | -40.825131 | -2.980406 |
596 | 3,296,995 | Cu6Th2 | 8 | -40.739603 | -2.894878 |
597 | 3,296,995 | Cu6Th2 | 8 | -40.661226 | -2.816501 |
598 | 3,290,192 | Ag8In6 | 14 | -38.887873 | -3.849853 |
599 | 3,290,192 | Ag8In6 | 14 | -38.885491 | -3.847471 |
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