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 |
|---|---|---|---|---|---|
10,400 | 3,296,101 | Ag2Cd6 | 8 | -11.181481 | -1.676512 |
10,401 | 3,291,343 | Ag6Cd14 | 20 | -29.823932 | -4.547043 |
10,402 | 3,291,343 | Ag6Cd14 | 20 | -29.617425 | -4.340536 |
10,403 | 3,291,343 | Ag6Cd14 | 20 | -29.501059 | -4.224169 |
10,404 | 3,291,938 | Ag4Cd5 | 9 | -16.342095 | -2.998689 |
10,405 | 3,291,938 | Ag4Cd5 | 9 | -16.330144 | -2.986738 |
10,406 | 3,292,772 | Ag5Cd6 | 11 | -20.09163 | -3.614749 |
10,407 | 3,292,772 | Ag5Cd6 | 11 | -19.97486 | -3.497978 |
10,408 | 3,292,772 | Ag5Cd6 | 11 | -19.861725 | -3.384843 |
10,409 | 3,292,772 | Ag5Cd6 | 11 | -19.855052 | -3.37817 |
10,410 | 3,293,174 | Ag7Cd5 | 12 | -25.030849 | -4.71553 |
10,411 | 3,293,174 | Ag7Cd5 | 12 | -25.027395 | -4.712076 |
10,412 | 3,296,321 | I6Mn2 | 8 | -29.515218 | 1.708533 |
10,413 | 3,296,321 | I6Mn2 | 8 | -29.434658 | 1.789093 |
10,414 | 3,296,321 | I6Mn2 | 8 | -29.27171 | 1.952041 |
10,415 | 3,296,321 | I6Mn2 | 8 | -28.383815 | 2.839935 |
10,416 | 3,287,755 | Ba9Bi6 | 15 | -54.014953 | -6.510049 |
10,417 | 3,287,755 | Ba9Bi6 | 15 | -54.015127 | -6.510223 |
10,418 | 3,300,279 | Dy8Mg | 9 | -37.724446 | -0.098211 |
10,419 | 3,300,279 | Dy8Mg | 9 | -37.724445 | -0.098211 |
10,420 | 3,286,819 | Nd9Rh6 | 15 | -95.381685 | -6.476405 |
10,421 | 3,286,819 | Nd9Rh6 | 15 | -95.374174 | -6.468894 |
10,422 | 3,299,538 | NdPd6 | 7 | -29.047839 | 8.927806 |
10,423 | 3,299,538 | NdPd6 | 7 | -29.292646 | 8.682999 |
10,424 | 3,299,538 | NdPd6 | 7 | -28.810454 | 9.16519 |
10,425 | 3,299,538 | NdPd6 | 7 | -27.851089 | 10.124556 |
10,426 | 3,299,538 | NdPd6 | 7 | -26.518325 | 11.457319 |
10,427 | 3,299,538 | NdPd6 | 7 | -25.230698 | 12.744947 |
10,428 | 3,299,538 | NdPd6 | 7 | -24.673646 | 13.301999 |
10,429 | 3,299,538 | NdPd6 | 7 | -19.509343 | 18.466302 |
10,430 | 3,289,873 | Nd4Sm3 | 7 | -33.138545 | -0.196709 |
10,431 | 3,289,873 | Nd4Sm3 | 7 | -33.138563 | -0.196727 |
10,432 | 3,289,450 | Au3Cd4 | 7 | -14.387848 | -1.288462 |
10,433 | 3,289,450 | Au3Cd4 | 7 | -14.387053 | -1.287667 |
10,434 | 3,291,137 | Au3Cd7 | 10 | -17.398362 | -1.870462 |
10,435 | 3,291,137 | Au3Cd7 | 10 | -17.35911 | -1.83121 |
10,436 | 3,299,791 | Sc7Sm | 8 | -48.5736 | 1.909887 |
10,437 | 3,299,791 | Sc7Sm | 8 | -48.518903 | 1.964584 |
10,438 | 3,288,299 | Au4Cd10 | 14 | -23.981491 | -2.737954 |
10,439 | 3,288,299 | Au4Cd10 | 14 | -23.925447 | -2.68191 |
10,440 | 3,293,175 | Au5Cd7 | 12 | -24.222922 | -2.120776 |
10,441 | 3,293,175 | Au5Cd7 | 12 | -24.197044 | -2.094899 |
10,442 | 3,292,029 | Au4Cd5 | 9 | -19.018665 | -1.822651 |
10,443 | 3,292,029 | Au4Cd5 | 9 | -19.008738 | -1.812725 |
10,444 | 3,289,204 | Au13Cd3 | 16 | -46.619619 | -1.458511 |
10,445 | 3,289,204 | Au13Cd3 | 16 | -46.614297 | -1.453189 |
10,446 | 3,297,230 | Au4Cd | 5 | -13.937183 | 0.020812 |
10,447 | 3,297,230 | Au4Cd | 5 | -13.937821 | 0.020174 |
10,448 | 3,289,931 | Au8Cd6 | 14 | -33.8277 | -2.673691 |
10,449 | 3,289,931 | Au8Cd6 | 14 | -33.821548 | -2.667539 |
10,450 | 3,294,790 | Au4Cd2 | 6 | -15.497757 | -0.730257 |
10,451 | 3,294,790 | Au4Cd2 | 6 | -15.495762 | -0.728262 |
10,452 | 3,296,749 | B3Tm | 4 | -22.942336 | 2.392086 |
10,453 | 3,296,749 | B3Tm | 4 | -22.941672 | 2.39275 |
10,454 | 3,286,804 | Nd9Pd6 | 15 | -82.160795 | -6.33631 |
10,455 | 3,286,804 | Nd9Pd6 | 15 | -82.139354 | -6.314869 |
10,456 | 3,299,940 | ErNd7 | 8 | -37.87311 | -0.303048 |
10,457 | 3,299,940 | ErNd7 | 8 | -37.870211 | -0.300149 |
10,458 | 3,295,413 | Nd6Rh3 | 9 | -54.822342 | -3.273044 |
10,459 | 3,295,413 | Nd6Rh3 | 9 | -54.816917 | -3.26762 |
10,460 | 3,294,722 | Rb4Te8 | 12 | -34.836248 | 2.097501 |
10,461 | 3,294,722 | Rb4Te8 | 12 | -34.836247 | 2.097501 |
10,462 | 3,286,542 | Ce2Pd17 | 19 | -105.973018 | 1.707086 |
10,463 | 3,286,542 | Ce2Pd17 | 19 | -105.972688 | 1.707416 |
10,464 | 3,294,344 | SmZn12 | 13 | -22.483946 | -2.239659 |
10,465 | 3,294,344 | SmZn12 | 13 | -22.462068 | -2.217781 |
10,466 | 3,288,913 | Hf4Ti14 | 18 | -145.708616 | 11.863716 |
10,467 | 3,288,913 | Hf4Ti14 | 18 | -145.685341 | 11.886991 |
10,468 | 3,287,680 | Nd9Ru6 | 15 | -99.919021 | -2.403382 |
10,469 | 3,287,680 | Nd9Ru6 | 15 | -99.911809 | -2.39617 |
10,470 | 3,290,487 | Dy3Sm5 | 8 | -37.213869 | -0.393286 |
10,471 | 3,290,487 | Dy3Sm5 | 8 | -37.210029 | -0.389446 |
10,472 | 3,290,927 | Ce3Hg5 | 8 | -21.670274 | -1.022126 |
10,473 | 3,290,927 | Ce3Hg5 | 8 | -21.637835 | -0.989687 |
10,474 | 3,287,980 | Sc3Se2 | 5 | -32.2251 | -2.965691 |
10,475 | 3,287,980 | Sc3Se2 | 5 | -32.210628 | -2.951219 |
10,476 | 3,291,066 | Ba6I10 | 16 | -52.814387 | -13.521291 |
10,477 | 3,291,066 | Ba6I10 | 16 | -52.810638 | -13.517542 |
10,478 | 3,295,351 | AlDy2 | 3 | -13.005349 | 0.10416 |
10,479 | 3,295,351 | AlDy2 | 3 | -13.005309 | 0.1042 |
10,480 | 3,296,650 | Hf12P4 | 16 | -153.522262 | -7.41078 |
10,481 | 3,296,650 | Hf12P4 | 16 | -153.519882 | -7.4084 |
10,482 | 3,298,049 | Hf8P2 | 10 | -95.391991 | -2.060404 |
10,483 | 3,298,049 | Hf8P2 | 10 | -95.392226 | -2.060639 |
10,484 | 3,291,220 | Li3Pd7 | 10 | -44.894132 | 0.891724 |
10,485 | 3,291,220 | Li3Pd7 | 10 | -44.892235 | 0.89362 |
10,486 | 3,289,968 | Li4Tl3 | 7 | -16.24508 | -0.535874 |
10,487 | 3,289,968 | Li4Tl3 | 7 | -16.191385 | -0.482179 |
10,488 | 3,288,483 | Au10Mn4 | 14 | -70.095929 | -2.91766 |
10,489 | 3,288,483 | Au10Mn4 | 14 | -69.954478 | -2.776209 |
10,490 | 3,288,483 | Au10Mn4 | 14 | -69.813254 | -2.634985 |
10,491 | 3,288,483 | Au10Mn4 | 14 | -69.650096 | -2.471826 |
10,492 | 3,288,483 | Au10Mn4 | 14 | -69.499308 | -2.321038 |
10,493 | 3,288,483 | Au10Mn4 | 14 | -69.220009 | -2.04174 |
10,494 | 3,288,483 | Au10Mn4 | 14 | -68.914827 | -1.736558 |
10,495 | 3,288,483 | Au10Mn4 | 14 | -68.582229 | -1.403959 |
10,496 | 3,288,483 | Au10Mn4 | 14 | -68.364792 | -1.186523 |
10,497 | 3,288,483 | Au10Mn4 | 14 | -67.900855 | -0.722585 |
10,498 | 3,288,483 | Au10Mn4 | 14 | -68.183233 | -1.004964 |
10,499 | 3,288,483 | Au10Mn4 | 14 | -67.591032 | -0.412763 |
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