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 |
|---|---|---|---|---|---|
400 | 3,285,850 | Ni13V2 | 15 | -93.298597 | -1.739767 |
401 | 3,285,850 | Ni13V2 | 15 | -93.03482 | -1.47599 |
402 | 3,285,850 | Ni13V2 | 15 | -92.826283 | -1.267452 |
403 | 3,285,850 | Ni13V2 | 15 | -92.666398 | -1.107568 |
404 | 3,286,973 | Ga12V8 | 20 | -106.323611 | 3.914023 |
405 | 3,286,973 | Ga12V8 | 20 | -106.275541 | 3.962092 |
406 | 3,291,477 | Hg6Pb14 | 20 | -52.546248 | -2.331415 |
407 | 3,291,477 | Hg6Pb14 | 20 | -52.479077 | -2.264245 |
408 | 3,295,467 | Ga4In2 | 6 | -17.331612 | 1.345239 |
409 | 3,295,467 | Ga4In2 | 6 | -17.331561 | 1.34529 |
410 | 3,297,548 | In2Zr8 | 10 | -71.686114 | 4.432401 |
411 | 3,297,548 | In2Zr8 | 10 | -71.684497 | 4.434018 |
412 | 3,290,277 | Ga4Zr3 | 7 | -39.096146 | 0.587283 |
413 | 3,290,277 | Ga4Zr3 | 7 | -39.096069 | 0.58736 |
414 | 3,293,314 | Hg7In5 | 12 | -15.618584 | -1.329174 |
415 | 3,293,314 | Hg7In5 | 12 | -15.394148 | -1.104737 |
416 | 3,293,314 | Hg7In5 | 12 | -15.55726 | -1.267849 |
417 | 3,293,314 | Hg7In5 | 12 | -15.517456 | -1.228046 |
418 | 3,288,602 | Hg4Pd10 | 14 | -54.638653 | 1.102742 |
419 | 3,288,602 | Hg4Pd10 | 14 | -54.619079 | 1.122316 |
420 | 3,289,296 | Tl3Zr13 | 16 | -118.454559 | 2.704769 |
421 | 3,289,296 | Tl3Zr13 | 16 | -118.446302 | 2.713025 |
422 | 3,296,522 | Se4Zr12 | 16 | -127.428785 | -2.221905 |
423 | 3,296,522 | Se4Zr12 | 16 | -127.424304 | -2.217424 |
424 | 3,290,006 | In6Pd8 | 14 | -65.008676 | -4.23637 |
425 | 3,290,006 | In6Pd8 | 14 | -65.008466 | -4.23616 |
426 | 3,291,468 | Tc6V14 | 20 | -188.156049 | -5.926478 |
427 | 3,291,468 | Tc6V14 | 20 | -189.108678 | -6.879107 |
428 | 3,291,468 | Tc6V14 | 20 | -186.392153 | -4.162583 |
429 | 3,291,468 | Tc6V14 | 20 | -145.725837 | 36.503734 |
430 | 3,292,943 | Sc6Zr5 | 11 | -79.599622 | 3.814732 |
431 | 3,292,943 | Sc6Zr5 | 11 | -79.584611 | 3.829743 |
432 | 3,297,147 | Au3V | 4 | -18.927312 | -0.234278 |
433 | 3,297,147 | Au3V | 4 | -18.920031 | -0.226997 |
434 | 3,296,614 | As4Zr12 | 16 | -132.757771 | -6.24694 |
435 | 3,296,614 | As4Zr12 | 16 | -132.754435 | -6.243604 |
436 | 3,290,991 | Ni5V3 | 8 | -57.604438 | -2.688093 |
437 | 3,290,991 | Ni5V3 | 8 | -57.604209 | -2.687864 |
438 | 3,292,699 | Ge5V6 | 11 | -77.180989 | 1.095824 |
439 | 3,292,699 | Ge5V6 | 11 | -77.155711 | 1.121102 |
440 | 3,289,941 | In4Sn3 | 7 | -22.357464 | 0.862453 |
441 | 3,289,941 | In4Sn3 | 7 | -22.596456 | 0.623461 |
442 | 3,289,941 | In4Sn3 | 7 | -20.419465 | 2.800452 |
443 | 3,289,941 | In4Sn3 | 7 | -17.373175 | 5.846743 |
444 | 3,289,941 | In4Sn3 | 7 | -17.792195 | 5.427722 |
445 | 3,289,941 | In4Sn3 | 7 | -14.458707 | 8.761211 |
446 | 3,292,422 | Mo4V5 | 9 | -89.925704 | -6.617575 |
447 | 3,292,422 | Mo4V5 | 9 | -89.716155 | -6.408026 |
448 | 3,292,422 | Mo4V5 | 9 | -89.858017 | -6.549888 |
449 | 3,285,733 | Ag2Cd13 | 15 | -17.25108 | -2.079578 |
450 | 3,285,733 | Ag2Cd13 | 15 | -17.185249 | -2.013748 |
451 | 3,285,943 | Ir2V13 | 15 | -129.37661 | 3.365789 |
452 | 3,285,943 | Ir2V13 | 15 | -128.800176 | 3.942223 |
453 | 3,285,943 | Ir2V13 | 15 | -128.970735 | 3.771665 |
454 | 3,299,634 | Hg6In | 7 | -4.397981 | -1.156196 |
455 | 3,299,634 | Hg6In | 7 | -4.733319 | -1.491535 |
456 | 3,299,634 | Hg6In | 7 | -4.631546 | -1.389761 |
457 | 3,299,634 | Hg6In | 7 | -4.353837 | -1.112052 |
458 | 3,299,634 | Hg6In | 7 | -1.749957 | 1.491828 |
459 | 3,299,634 | Hg6In | 7 | -4.127058 | -0.885274 |
460 | 3,299,634 | Hg6In | 7 | -4.106922 | -0.865137 |
461 | 3,299,634 | Hg6In | 7 | -2.458547 | 0.783238 |
462 | 3,299,634 | Hg6In | 7 | -1.908253 | 1.333532 |
463 | 3,299,634 | Hg6In | 7 | -1.6684 | 1.573385 |
464 | 3,299,634 | Hg6In | 7 | -1.599403 | 1.642382 |
465 | 3,297,423 | Sc8Zr2 | 10 | -67.248374 | 2.766179 |
466 | 3,297,423 | Sc8Zr2 | 10 | -67.248607 | 2.765947 |
467 | 3,289,582 | Hg4In3 | 7 | -9.346761 | -0.789806 |
468 | 3,289,582 | Hg4In3 | 7 | -9.325337 | -0.768382 |
469 | 3,293,004 | Hg6In5 | 11 | -15.317879 | -1.111926 |
470 | 3,293,004 | Hg6In5 | 11 | -15.300023 | -1.09407 |
471 | 3,290,278 | Ga3Zr4 | 7 | -45.119844 | 0.094447 |
472 | 3,290,278 | Ga3Zr4 | 7 | -45.119737 | 0.094554 |
473 | 3,290,760 | Pd3Zr5 | 8 | -62.289992 | -1.519953 |
474 | 3,290,760 | Pd3Zr5 | 8 | -62.289893 | -1.519854 |
475 | 3,290,833 | Au10In6 | 16 | -51.557622 | -2.240142 |
476 | 3,290,833 | Au10In6 | 16 | -51.516166 | -2.198687 |
477 | 3,293,996 | As2In2 | 4 | -14.932637 | 0.827539 |
478 | 3,293,996 | As2In2 | 4 | -14.923369 | 0.836808 |
479 | 3,287,359 | In4Pd6 | 10 | -45.650217 | -1.441508 |
480 | 3,287,359 | In4Pd6 | 10 | -45.640233 | -1.431525 |
481 | 3,297,261 | In8Sn2 | 10 | -29.418065 | 0.680772 |
482 | 3,297,261 | In8Sn2 | 10 | -29.397669 | 0.701168 |
483 | 3,287,052 | Ag12O8 | 20 | -73.695939 | 14.971798 |
484 | 3,287,052 | Ag12O8 | 20 | -73.569417 | 15.098321 |
485 | 3,290,273 | Sn4Zr3 | 7 | -43.796455 | -0.966795 |
486 | 3,290,273 | Sn4Zr3 | 7 | -43.793813 | -0.964154 |
487 | 3,286,515 | Ir17Th2 | 19 | -168.982478 | -1.197465 |
488 | 3,286,515 | Ir17Th2 | 19 | -168.984265 | -1.199252 |
489 | 3,297,089 | Te6Th2 | 8 | -40.907288 | -1.996576 |
490 | 3,297,089 | Te6Th2 | 8 | -40.907285 | -1.996573 |
491 | 3,294,322 | Ni12Th | 13 | -78.830964 | -2.932849 |
492 | 3,294,322 | Ni12Th | 13 | -78.424345 | -2.52623 |
493 | 3,294,322 | Ni12Th | 13 | -78.396394 | -2.498279 |
494 | 3,293,923 | Cl4In4 | 8 | -24.649568 | -0.387135 |
495 | 3,293,923 | Cl4In4 | 8 | -24.629765 | -0.367332 |
496 | 3,295,111 | Bi2Th4 | 6 | -38.935231 | -0.274072 |
497 | 3,295,111 | Bi2Th4 | 6 | -38.935251 | -0.274093 |
498 | 3,298,144 | I8Th2 | 10 | -37.516302 | -3.382223 |
499 | 3,298,144 | I8Th2 | 10 | -37.516289 | -3.38221 |
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