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 |
|---|---|---|---|---|---|
600 | 3,288,980 | Ga14In4 | 18 | -52.188288 | 4.957566 |
601 | 3,288,980 | Ga14In4 | 18 | -52.188078 | 4.957776 |
602 | 3,297,402 | Ir2V8 | 10 | -91.486305 | -2.902239 |
603 | 3,297,402 | Ir2V8 | 10 | -91.125734 | -2.541667 |
604 | 3,297,402 | Ir2V8 | 10 | -91.342391 | -2.758324 |
605 | 3,287,194 | Re4V6 | 10 | -105.308785 | -6.483599 |
606 | 3,287,194 | Re4V6 | 10 | -104.876861 | -6.051675 |
607 | 3,287,194 | Re4V6 | 10 | -105.215083 | -6.389897 |
608 | 3,296,819 | Be9Zr3 | 12 | -61.101011 | -0.282895 |
609 | 3,296,819 | Be9Zr3 | 12 | -61.062653 | -0.244537 |
610 | 3,298,343 | Ga16Th4 | 20 | -77.838952 | 5.687664 |
611 | 3,298,343 | Ga16Th4 | 20 | -77.838486 | 5.68813 |
612 | 3,296,645 | Sb2Th6 | 8 | -55.44374 | -0.559662 |
613 | 3,296,645 | Sb2Th6 | 8 | -55.443728 | -0.559649 |
614 | 3,295,966 | Pb2Th4 | 6 | -38.455189 | -0.605629 |
615 | 3,295,966 | Pb2Th4 | 6 | -38.455618 | -0.606058 |
616 | 3,295,923 | Sn2Th4 | 6 | -40.212816 | -1.29477 |
617 | 3,295,923 | Sn2Th4 | 6 | -40.212871 | -1.294824 |
618 | 3,296,048 | Au6In2 | 8 | -25.662544 | -0.457723 |
619 | 3,296,048 | Au6In2 | 8 | -25.658036 | -0.453216 |
620 | 3,297,824 | Pt2Zr8 | 10 | -84.399122 | -0.557186 |
621 | 3,297,824 | Pt2Zr8 | 10 | -84.27152 | -0.429584 |
622 | 3,297,824 | Pt2Zr8 | 10 | -84.129622 | -0.287686 |
623 | 3,297,824 | Pt2Zr8 | 10 | -84.029009 | -0.187073 |
624 | 3,297,824 | Pt2Zr8 | 10 | -83.921405 | -0.079469 |
625 | 3,297,824 | Pt2Zr8 | 10 | -83.833946 | 0.00799 |
626 | 3,299,581 | Ag6Au | 7 | -19.680027 | -2.449079 |
627 | 3,299,581 | Ag6Au | 7 | -19.548758 | -2.31781 |
628 | 3,299,581 | Ag6Au | 7 | -19.503834 | -2.272886 |
629 | 3,292,912 | Ga6Zr5 | 11 | -65.701866 | -1.761946 |
630 | 3,292,912 | Ga6Zr5 | 11 | -65.701913 | -1.761993 |
631 | 3,292,381 | Sc10Th8 | 18 | -120.485598 | 6.453804 |
632 | 3,292,381 | Sc10Th8 | 18 | -120.486465 | 6.452937 |
633 | 3,291,458 | In6Pb14 | 20 | -66.933616 | -0.773273 |
634 | 3,291,458 | In6Pb14 | 20 | -66.911803 | -0.751461 |
635 | 3,299,726 | AgPd7 | 8 | -39.271158 | 1.83811 |
636 | 3,299,726 | AgPd7 | 8 | -39.248937 | 1.86033 |
637 | 3,294,516 | Ga4In8 | 12 | -33.743557 | 1.379548 |
638 | 3,294,516 | Ga4In8 | 12 | -33.744052 | 1.379053 |
639 | 3,285,477 | Ag13In2 | 15 | -42.650636 | -6.95693 |
640 | 3,285,477 | Ag13In2 | 15 | -42.558659 | -6.864954 |
641 | 3,287,538 | Th4Tl6 | 10 | -45.238373 | -1.740571 |
642 | 3,287,538 | Th4Tl6 | 10 | -45.238327 | -1.740525 |
643 | 3,290,638 | Sn6Th10 | 16 | -106.013889 | -4.633523 |
644 | 3,290,638 | Sn6Th10 | 16 | -106.014263 | -4.633897 |
645 | 3,289,229 | Ag3Pd13 | 16 | -75.902963 | 3.098786 |
646 | 3,289,229 | Ag3Pd13 | 16 | -75.698274 | 3.303475 |
647 | 3,289,229 | Ag3Pd13 | 16 | -75.499647 | 3.502102 |
648 | 3,289,229 | Ag3Pd13 | 16 | -75.319688 | 3.682061 |
649 | 3,289,229 | Ag3Pd13 | 16 | -75.277373 | 3.724376 |
650 | 3,289,668 | Sn6Th8 | 14 | -82.056031 | 3.950561 |
651 | 3,289,668 | Sn6Th8 | 14 | -82.056172 | 3.95042 |
652 | 3,299,586 | Ag6Hg | 7 | -16.245919 | -2.218637 |
653 | 3,299,586 | Ag6Hg | 7 | -16.551259 | -2.523977 |
654 | 3,299,586 | Ag6Hg | 7 | -16.401753 | -2.374471 |
655 | 3,299,586 | Ag6Hg | 7 | -15.901823 | -1.874541 |
656 | 3,299,586 | Ag6Hg | 7 | -12.621489 | 1.405793 |
657 | 3,299,586 | Ag6Hg | 7 | -13.898018 | 0.129264 |
658 | 3,299,586 | Ag6Hg | 7 | -9.840369 | 4.186914 |
659 | 3,299,586 | Ag6Hg | 7 | -6.263471 | 7.763811 |
660 | 3,299,586 | Ag6Hg | 7 | -5.178499 | 8.848783 |
661 | 3,289,846 | C3Th4 | 7 | -59.199936 | -3.849513 |
662 | 3,289,846 | C3Th4 | 7 | -59.198473 | -3.84805 |
663 | 3,286,131 | Tc2V13 | 15 | -129.689996 | 4.650416 |
664 | 3,286,131 | Tc2V13 | 15 | -128.599533 | 5.740878 |
665 | 3,286,131 | Tc2V13 | 15 | -128.728424 | 5.611987 |
666 | 3,292,614 | Tl4Zr5 | 9 | -51.664943 | 0.982996 |
667 | 3,292,614 | Tl4Zr5 | 9 | -51.651225 | 0.996714 |
668 | 3,292,950 | Sc5Th6 | 11 | -74.428234 | 4.415241 |
669 | 3,292,950 | Sc5Th6 | 11 | -74.302725 | 4.540749 |
670 | 3,292,950 | Sc5Th6 | 11 | -74.190139 | 4.653335 |
671 | 3,292,950 | Sc5Th6 | 11 | -74.04957 | 4.793904 |
672 | 3,292,950 | Sc5Th6 | 11 | -74.053606 | 4.789869 |
673 | 3,297,437 | ScTh4 | 5 | -35.855377 | 1.436602 |
674 | 3,297,437 | ScTh4 | 5 | -35.855392 | 1.436586 |
675 | 3,286,727 | Ga2Th3 | 5 | -30.119017 | -0.460973 |
676 | 3,286,727 | Ga2Th3 | 5 | -30.118621 | -0.460577 |
677 | 3,295,357 | Ag4Sn2 | 6 | -19.223468 | -1.757086 |
678 | 3,295,357 | Ag4Sn2 | 6 | -19.209126 | -1.742743 |
679 | 3,297,343 | Ga2In8 | 10 | -27.582392 | 0.943329 |
680 | 3,297,343 | Ga2In8 | 10 | -27.583511 | 0.94221 |
681 | 3,293,773 | FIn | 2 | -7.674783 | 0.18876 |
682 | 3,293,773 | FIn | 2 | -7.715405 | 0.148138 |
683 | 3,293,773 | FIn | 2 | -7.471607 | 0.391936 |
684 | 3,293,773 | FIn | 2 | -6.598137 | 1.265407 |
685 | 3,293,773 | FIn | 2 | -7.035557 | 0.827986 |
686 | 3,293,773 | FIn | 2 | -6.153927 | 1.709616 |
687 | 3,293,773 | FIn | 2 | -5.76956 | 2.093983 |
688 | 3,289,314 | Mo3V13 | 16 | -151.810343 | -7.636331 |
689 | 3,289,314 | Mo3V13 | 16 | -151.290133 | -7.116121 |
690 | 3,289,314 | Mo3V13 | 16 | -151.549715 | -7.375703 |
691 | 3,290,174 | Ge6V8 | 14 | -103.025307 | -2.027798 |
692 | 3,290,174 | Ge6V8 | 14 | -103.019141 | -2.021633 |
693 | 3,292,559 | C4Th5 | 9 | -69.768269 | 1.469999 |
694 | 3,292,559 | C4Th5 | 9 | -69.765254 | 1.473014 |
695 | 3,287,858 | Te8Th12 | 20 | -129.87245 | -6.247224 |
696 | 3,287,858 | Te8Th12 | 20 | -129.872416 | -6.24719 |
697 | 3,292,062 | Ag5Pd4 | 9 | -35.349304 | -1.566423 |
698 | 3,292,062 | Ag5Pd4 | 9 | -35.318575 | -1.535694 |
699 | 3,296,008 | Cr8Zr4 | 12 | -111.571402 | -5.4945 |
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