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 |
|---|---|---|---|---|---|
1,400 | 3,295,124 | Br4Pu2 | 6 | -43.528224 | -3.063793 |
1,401 | 3,295,124 | Br4Pu2 | 6 | -43.373723 | -2.909291 |
1,402 | 3,295,124 | Br4Pu2 | 6 | -41.10031 | -0.635878 |
1,403 | 3,292,647 | Pb8Pu10 | 18 | -174.867969 | -1.160947 |
1,404 | 3,292,647 | Pb8Pu10 | 18 | -174.489806 | -0.782784 |
1,405 | 3,292,647 | Pb8Pu10 | 18 | -173.653578 | 0.053445 |
1,406 | 3,292,647 | Pb8Pu10 | 18 | -172.162129 | 1.544893 |
1,407 | 3,291,317 | Br14Pu6 | 20 | -138.9541 | -11.858487 |
1,408 | 3,291,317 | Br14Pu6 | 20 | -138.750783 | -11.655169 |
1,409 | 3,291,317 | Br14Pu6 | 20 | -137.905578 | -10.809965 |
1,410 | 3,293,693 | C2Pu2 | 4 | -45.910329 | -0.448618 |
1,411 | 3,293,693 | C2Pu2 | 4 | -45.870219 | -0.408507 |
1,412 | 3,293,693 | C2Pu2 | 4 | -45.828207 | -0.366495 |
1,413 | 3,293,693 | C2Pu2 | 4 | -45.31955 | 0.142161 |
1,414 | 3,287,664 | Pu12Sb8 | 20 | -212.575885 | -3.16609 |
1,415 | 3,287,664 | Pu12Sb8 | 20 | -212.258261 | -2.848466 |
1,416 | 3,287,664 | Pu12Sb8 | 20 | -211.738229 | -2.328434 |
1,417 | 3,287,664 | Pu12Sb8 | 20 | -211.169618 | -1.759823 |
1,418 | 3,287,664 | Pu12Sb8 | 20 | -202.994296 | 6.415499 |
1,419 | 3,290,733 | Au3Pu5 | 8 | -83.342683 | -0.831829 |
1,420 | 3,290,733 | Au3Pu5 | 8 | -83.312936 | -0.802083 |
1,421 | 3,299,529 | Fe6W | 7 | -48.592958 | 9.816871 |
1,422 | 3,299,529 | Fe6W | 7 | -48.455203 | 9.954626 |
1,423 | 3,299,529 | Fe6W | 7 | -48.372185 | 10.037644 |
1,424 | 3,290,310 | Mn6Pu8 | 14 | -167.10633 | 0.593411 |
1,425 | 3,290,310 | Mn6Pu8 | 14 | -166.731618 | 0.968123 |
1,426 | 3,290,310 | Mn6Pu8 | 14 | -166.45204 | 1.247701 |
1,427 | 3,290,310 | Mn6Pu8 | 14 | -165.758045 | 1.941697 |
1,428 | 3,290,310 | Mn6Pu8 | 14 | -165.405371 | 2.294371 |
1,429 | 3,290,310 | Mn6Pu8 | 14 | -165.144474 | 2.555268 |
1,430 | 3,290,310 | Mn6Pu8 | 14 | -160.810322 | 6.889419 |
1,431 | 3,295,430 | C2Pu | 3 | -31.977565 | -1.045751 |
1,432 | 3,295,430 | C2Pu | 3 | -31.93965 | -1.007836 |
1,433 | 3,295,430 | C2Pu | 3 | -31.904686 | -0.972872 |
1,434 | 3,295,430 | C2Pu | 3 | -31.641132 | -0.709318 |
1,435 | 3,295,430 | C2Pu | 3 | -31.752597 | -0.820783 |
1,436 | 3,295,430 | C2Pu | 3 | -31.587437 | -0.655623 |
1,437 | 3,295,430 | C2Pu | 3 | -31.248652 | -0.316838 |
1,438 | 3,293,969 | Pu4Te4 | 8 | -77.246759 | -3.435878 |
1,439 | 3,293,969 | Pu4Te4 | 8 | -77.150834 | -3.339953 |
1,440 | 3,293,969 | Pu4Te4 | 8 | -76.652044 | -2.841164 |
1,441 | 3,293,969 | Pu4Te4 | 8 | -76.103767 | -2.292886 |
1,442 | 3,295,353 | Pu2Se4 | 6 | -49.711609 | -1.399581 |
1,443 | 3,295,353 | Pu2Se4 | 6 | -49.638567 | -1.326539 |
1,444 | 3,295,353 | Pu2Se4 | 6 | -49.589635 | -1.277607 |
1,445 | 3,291,274 | Pu7Rh3 | 10 | -123.974674 | 0.897273 |
1,446 | 3,291,274 | Pu7Rh3 | 10 | -123.969667 | 0.90228 |
1,447 | 3,300,024 | PuTh7 | 8 | -66.024643 | 2.313462 |
1,448 | 3,300,024 | PuTh7 | 8 | -65.963251 | 2.374854 |
1,449 | 3,298,987 | Pu2Ti10 | 12 | -107.039797 | 5.606169 |
1,450 | 3,298,987 | Pu2Ti10 | 12 | -107.267821 | 5.378144 |
1,451 | 3,298,987 | Pu2Ti10 | 12 | -107.117552 | 5.528414 |
1,452 | 3,298,987 | Pu2Ti10 | 12 | -106.830017 | 5.815949 |
1,453 | 3,298,987 | Pu2Ti10 | 12 | -106.503961 | 6.142005 |
1,454 | 3,298,987 | Pu2Ti10 | 12 | -106.317804 | 6.328162 |
1,455 | 3,298,987 | Pu2Ti10 | 12 | -105.715894 | 6.930072 |
1,456 | 3,298,987 | Pu2Ti10 | 12 | -105.324857 | 7.321109 |
1,457 | 3,298,987 | Pu2Ti10 | 12 | -104.780577 | 7.865389 |
1,458 | 3,298,987 | Pu2Ti10 | 12 | -104.396458 | 8.249508 |
1,459 | 3,298,987 | Pu2Ti10 | 12 | -103.32764 | 9.318325 |
1,460 | 3,298,987 | Pu2Ti10 | 12 | -102.823101 | 9.822865 |
1,461 | 3,298,987 | Pu2Ti10 | 12 | -102.426685 | 10.21928 |
1,462 | 3,298,987 | Pu2Ti10 | 12 | -101.932281 | 10.713685 |
1,463 | 3,298,987 | Pu2Ti10 | 12 | -101.737157 | 10.908809 |
1,464 | 3,298,987 | Pu2Ti10 | 12 | -101.22032 | 11.425646 |
1,465 | 3,298,987 | Pu2Ti10 | 12 | -101.646495 | 10.999471 |
1,466 | 3,298,987 | Pu2Ti10 | 12 | -101.17989 | 11.466076 |
1,467 | 3,298,987 | Pu2Ti10 | 12 | -100.868589 | 11.777377 |
1,468 | 3,298,987 | Pu2Ti10 | 12 | -100.165712 | 12.480253 |
1,469 | 3,298,987 | Pu2Ti10 | 12 | -100.712951 | 11.933015 |
1,470 | 3,298,987 | Pu2Ti10 | 12 | -100.359245 | 12.286721 |
1,471 | 3,298,987 | Pu2Ti10 | 12 | -100.096575 | 12.549391 |
1,472 | 3,298,987 | Pu2Ti10 | 12 | -99.819283 | 12.826683 |
1,473 | 3,298,987 | Pu2Ti10 | 12 | -99.437224 | 13.208742 |
1,474 | 3,298,987 | Pu2Ti10 | 12 | -97.517472 | 15.128493 |
1,475 | 3,298,987 | Pu2Ti10 | 12 | -97.201888 | 15.444078 |
1,476 | 3,298,987 | Pu2Ti10 | 12 | -95.143171 | 17.502795 |
1,477 | 3,298,987 | Pu2Ti10 | 12 | -91.413056 | 21.23291 |
1,478 | 3,298,987 | Pu2Ti10 | 12 | -84.000205 | 28.645761 |
1,479 | 3,298,987 | Pu2Ti10 | 12 | -62.647696 | 49.99827 |
1,480 | 3,298,987 | Pu2Ti10 | 12 | -78.505662 | 34.140304 |
1,481 | 3,298,987 | Pu2Ti10 | 12 | -69.357334 | 43.288632 |
1,482 | 3,287,086 | Pu8Se12 | 20 | -173.439894 | 0.555985 |
1,483 | 3,287,086 | Pu8Se12 | 20 | -173.231896 | 0.763982 |
1,484 | 3,287,086 | Pu8Se12 | 20 | -173.015074 | 0.980804 |
1,485 | 3,287,086 | Pu8Se12 | 20 | -172.781688 | 1.21419 |
1,486 | 3,287,086 | Pu8Se12 | 20 | -171.784548 | 2.21133 |
1,487 | 3,287,086 | Pu8Se12 | 20 | -172.749742 | 1.246136 |
1,488 | 3,287,086 | Pu8Se12 | 20 | -172.546163 | 1.449715 |
1,489 | 3,287,086 | Pu8Se12 | 20 | -172.324298 | 1.67158 |
1,490 | 3,287,086 | Pu8Se12 | 20 | -172.04178 | 1.954098 |
1,491 | 3,297,435 | Pu2Sc8 | 10 | -78.104379 | 3.310861 |
1,492 | 3,297,435 | Pu2Sc8 | 10 | -77.978341 | 3.436899 |
1,493 | 3,297,435 | Pu2Sc8 | 10 | -77.773373 | 3.641867 |
1,494 | 3,297,435 | Pu2Sc8 | 10 | -77.380156 | 4.035084 |
1,495 | 3,297,435 | Pu2Sc8 | 10 | -77.251496 | 4.163744 |
1,496 | 3,297,435 | Pu2Sc8 | 10 | -77.060019 | 4.355221 |
1,497 | 3,297,435 | Pu2Sc8 | 10 | -76.933828 | 4.481412 |
1,498 | 3,297,435 | Pu2Sc8 | 10 | -76.773605 | 4.641635 |
1,499 | 3,297,435 | Pu2Sc8 | 10 | -76.62502 | 4.79022 |
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