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 |
|---|---|---|---|---|---|
3,400 | 3,300,309 | Cr8V | 9 | -86.458902 | -6.868549 |
3,401 | 3,294,576 | Cr2V | 3 | -27.839732 | -1.318394 |
3,402 | 3,294,576 | Cr2V | 3 | -27.821893 | -1.300555 |
3,403 | 3,285,845 | Ni13P2 | 15 | -88.04503 | -1.921329 |
3,404 | 3,285,845 | Ni13P2 | 15 | -88.04566 | -1.921959 |
3,405 | 3,298,653 | Co5Ni | 6 | -41.267881 | -1.930163 |
3,406 | 3,298,653 | Co5Ni | 6 | -41.064516 | -1.726798 |
3,407 | 3,298,653 | Co5Ni | 6 | -41.097793 | -1.760075 |
3,408 | 3,289,956 | Co4Ni3 | 7 | -45.759017 | -1.783451 |
3,409 | 3,289,956 | Co4Ni3 | 7 | -45.515048 | -1.539481 |
3,410 | 3,289,956 | Co4Ni3 | 7 | -45.517408 | -1.541842 |
3,411 | 3,288,143 | Ni4P6 | 10 | -58.000721 | 1.420965 |
3,412 | 3,288,143 | Ni4P6 | 10 | -57.87728 | 1.544405 |
3,413 | 3,288,143 | Ni4P6 | 10 | -57.856481 | 1.565205 |
3,414 | 3,296,166 | Co6Ni2 | 8 | -54.340236 | -2.58756 |
3,415 | 3,296,166 | Co6Ni2 | 8 | -54.121852 | -2.369176 |
3,416 | 3,296,166 | Co6Ni2 | 8 | -54.141564 | -2.388887 |
3,417 | 3,290,429 | Cr5V3 | 8 | -76.196278 | -5.4771 |
3,418 | 3,290,429 | Cr5V3 | 8 | -76.195977 | -5.476799 |
3,419 | 3,286,459 | Nb2Ni17 | 19 | -118.565023 | -1.851227 |
3,420 | 3,286,459 | Nb2Ni17 | 19 | -117.900461 | -1.186665 |
3,421 | 3,286,459 | Nb2Ni17 | 19 | -118.023763 | -1.309968 |
3,422 | 3,295,016 | Co4Ni2 | 6 | -39.998667 | -1.70737 |
3,423 | 3,295,016 | Co4Ni2 | 6 | -39.807008 | -1.515711 |
3,424 | 3,295,016 | Co4Ni2 | 6 | -39.831594 | -1.540297 |
3,425 | 3,292,899 | Co5Ni6 | 11 | -68.807305 | -1.048242 |
3,426 | 3,292,899 | Co5Ni6 | 11 | -68.383747 | -0.624684 |
3,427 | 3,292,899 | Co5Ni6 | 11 | -68.351386 | -0.592323 |
3,428 | 3,286,969 | Co4Ni6 | 10 | -62.39179 | -1.363417 |
3,429 | 3,286,969 | Co4Ni6 | 10 | -62.057078 | -1.028705 |
3,430 | 3,286,969 | Co4Ni6 | 10 | -62.060756 | -1.032383 |
3,431 | 3,297,330 | Co2Ni8 | 10 | -57.856157 | 1.079375 |
3,432 | 3,297,330 | Co2Ni8 | 10 | -57.530423 | 1.405109 |
3,433 | 3,297,330 | Co2Ni8 | 10 | -57.441239 | 1.494293 |
3,434 | 3,293,230 | Co5Ni7 | 12 | -74.879512 | -1.43618 |
3,435 | 3,293,230 | Co5Ni7 | 12 | -74.756603 | -1.313271 |
3,436 | 3,293,230 | Co5Ni7 | 12 | -74.27624 | -0.832908 |
3,437 | 3,293,230 | Co5Ni7 | 12 | -74.475717 | -1.032385 |
3,438 | 3,293,230 | Co5Ni7 | 12 | -74.349682 | -0.90635 |
3,439 | 3,293,230 | Co5Ni7 | 12 | -74.180448 | -0.737116 |
3,440 | 3,293,230 | Co5Ni7 | 12 | -74.051221 | -0.607889 |
3,441 | 3,293,230 | Co5Ni7 | 12 | -73.828829 | -0.385497 |
3,442 | 3,293,230 | Co5Ni7 | 12 | -73.685687 | -0.242355 |
3,443 | 3,293,230 | Co5Ni7 | 12 | -73.377059 | 0.066273 |
3,444 | 3,293,230 | Co5Ni7 | 12 | -73.508299 | -0.064967 |
3,445 | 3,293,230 | Co5Ni7 | 12 | -73.708553 | -0.265221 |
3,446 | 3,293,230 | Co5Ni7 | 12 | -73.461884 | -0.018552 |
3,447 | 3,293,230 | Co5Ni7 | 12 | -73.334429 | 0.108903 |
3,448 | 3,293,230 | Co5Ni7 | 12 | -73.20005 | 0.243282 |
3,449 | 3,293,230 | Co5Ni7 | 12 | -73.144608 | 0.298724 |
3,450 | 3,295,401 | CrNi2 | 3 | -20.970427 | -0.757053 |
3,451 | 3,295,401 | CrNi2 | 3 | -20.968668 | -0.755294 |
3,452 | 3,291,695 | Cr3Ni8 | 11 | -67.981891 | 4.026769 |
3,453 | 3,291,695 | Cr3Ni8 | 11 | -67.981529 | 4.027131 |
3,454 | 3,298,400 | MnNi4 | 5 | -32.403263 | -1.089427 |
3,455 | 3,298,400 | MnNi4 | 5 | -32.345935 | -1.032099 |
3,456 | 3,298,400 | MnNi4 | 5 | -32.217245 | -0.903408 |
3,457 | 3,298,400 | MnNi4 | 5 | -32.002195 | -0.688359 |
3,458 | 3,286,291 | Mn2Ni13 | 15 | -86.692445 | 4.356573 |
3,459 | 3,286,291 | Mn2Ni13 | 15 | -86.672379 | 4.37664 |
3,460 | 3,287,927 | C4V6 | 10 | -95.996215 | -10.202382 |
3,461 | 3,287,927 | C4V6 | 10 | -95.989189 | -10.195356 |
3,462 | 3,297,955 | C2Mn8 | 10 | -91.634742 | -6.618739 |
3,463 | 3,297,955 | C2Mn8 | 10 | -91.634678 | -6.618675 |
3,464 | 3,287,624 | Fe4Mn6 | 10 | -87.21071 | -4.583522 |
3,465 | 3,287,624 | Fe4Mn6 | 10 | -87.191869 | -4.564681 |
3,466 | 3,300,304 | CoFe8 | 9 | -74.97793 | -5.913992 |
3,467 | 3,300,304 | CoFe8 | 9 | -74.819826 | -5.755889 |
3,468 | 3,300,304 | CoFe8 | 9 | -74.609001 | -5.545064 |
3,469 | 3,300,304 | CoFe8 | 9 | -74.079235 | -5.015297 |
3,470 | 3,300,304 | CoFe8 | 9 | -73.356022 | -4.292084 |
3,471 | 3,288,151 | Co4Mn6 | 10 | -83.125055 | -4.741732 |
3,472 | 3,288,151 | Co4Mn6 | 10 | -83.011251 | -4.627928 |
3,473 | 3,288,151 | Co4Mn6 | 10 | -83.013245 | -4.629922 |
3,474 | 3,287,770 | Co3Fe2 | 5 | -35.264511 | 0.51087 |
3,475 | 3,287,770 | Co3Fe2 | 5 | -35.062387 | 0.712994 |
3,476 | 3,287,770 | Co3Fe2 | 5 | -34.773665 | 1.001717 |
3,477 | 3,291,822 | Co3Fe8 | 11 | -81.911676 | 0.613641 |
3,478 | 3,291,822 | Co3Fe8 | 11 | -81.722969 | 0.802348 |
3,479 | 3,291,822 | Co3Fe8 | 11 | -81.48792 | 1.037397 |
3,480 | 3,291,822 | Co3Fe8 | 11 | -80.227679 | 2.297638 |
3,481 | 3,287,808 | B4O6 | 10 | -79.298545 | -5.75373 |
3,482 | 3,287,808 | B4O6 | 10 | -79.19583 | -5.651015 |
3,483 | 3,287,808 | B4O6 | 10 | -79.095721 | -5.550906 |
3,484 | 3,287,808 | B4O6 | 10 | -78.948312 | -5.403497 |
3,485 | 3,287,808 | B4O6 | 10 | -78.839143 | -5.294328 |
3,486 | 3,287,808 | B4O6 | 10 | -78.818614 | -5.273799 |
3,487 | 3,293,154 | La7Y5 | 12 | -64.999311 | 3.04501 |
3,488 | 3,293,154 | La7Y5 | 12 | -64.998621 | 3.0457 |
3,489 | 3,289,808 | F3Li4 | 7 | -30.675873 | -5.974292 |
3,490 | 3,289,808 | F3Li4 | 7 | -30.588389 | -5.886808 |
3,491 | 3,289,808 | F3Li4 | 7 | -30.452784 | -5.751203 |
3,492 | 3,292,741 | F5Li6 | 11 | -49.328577 | -9.714954 |
3,493 | 3,292,741 | F5Li6 | 11 | -49.212145 | -9.598523 |
3,494 | 3,292,741 | F5Li6 | 11 | -49.000353 | -9.386731 |
3,495 | 3,298,877 | TiV5 | 6 | -53.24976 | -0.73281 |
3,496 | 3,298,877 | TiV5 | 6 | -53.551086 | -1.034137 |
3,497 | 3,298,877 | TiV5 | 6 | -45.606055 | 6.910895 |
3,498 | 3,291,693 | Ni8V3 | 11 | -68.90879 | 3.060362 |
3,499 | 3,291,693 | Ni8V3 | 11 | -68.909967 | 3.059185 |
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