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 |
|---|---|---|---|---|---|
10,447,500 | 4,468,665 | Ag6As6 | 12 | -38.610126 | 6.167977 |
10,447,501 | 4,468,665 | Ag6As6 | 12 | -38.611462 | 6.166641 |
10,447,502 | 4,468,755 | Ag4Au4 | 8 | -22.072671 | 0.371703 |
10,447,503 | 4,468,755 | Ag4Au4 | 8 | -22.063466 | 0.380908 |
10,447,504 | 4,444,372 | Fe6In6 | 12 | -64.662161 | -1.465972 |
10,447,505 | 4,444,372 | Fe6In6 | 12 | -64.662161 | -1.465972 |
10,447,506 | 4,455,046 | Rh6Si6 | 12 | -83.393073 | -1.094752 |
10,447,507 | 4,457,764 | Re6Rh6 | 12 | -119.416355 | -4.338239 |
10,447,508 | 4,457,764 | Re6Rh6 | 12 | -119.416377 | -4.338261 |
10,447,509 | 4,456,706 | Cs16Sb16 | 32 | -87.305696 | 5.049349 |
10,447,510 | 4,456,706 | Cs16Sb16 | 32 | -87.305696 | 5.049349 |
10,447,511 | 3,154,475 | Br6Si46 | 52 | -257.485039 | 35.414808 |
10,447,512 | 3,154,475 | Br6Si46 | 52 | -257.482917 | 35.41693 |
10,447,513 | 4,456,701 | Cs8Sb8 | 16 | -40.353536 | 5.823986 |
10,447,514 | 4,456,701 | Cs8Sb8 | 16 | -40.335067 | 5.842455 |
10,447,515 | 4,460,265 | Ge6O6 | 12 | -69.960861 | 5.968381 |
10,447,516 | 4,460,265 | Ge6O6 | 12 | -69.819273 | 6.109969 |
10,447,517 | 4,460,265 | Ge6O6 | 12 | -69.780284 | 6.148957 |
10,447,518 | 4,449,124 | C6Pd6 | 12 | -70.922657 | 11.527633 |
10,447,519 | 4,449,124 | C6Pd6 | 12 | -70.922657 | 11.527633 |
10,447,520 | 4,448,805 | As16Ca16 | 32 | -137.152725 | -11.851332 |
10,447,521 | 4,448,805 | As16Ca16 | 32 | -137.151599 | -11.850206 |
10,447,522 | 4,468,982 | Ag6Ta6 | 12 | -61.367601 | 22.936411 |
10,447,523 | 4,468,982 | Ag6Ta6 | 12 | -61.367601 | 22.936411 |
10,447,524 | 4,454,008 | Ta8Tl8 | 16 | -103.346674 | 7.467248 |
10,447,525 | 4,454,008 | Ta8Tl8 | 16 | -103.346674 | 7.467248 |
10,447,526 | 4,444,311 | Fe6Ni6 | 12 | -69.06269 | 11.79286 |
10,447,527 | 4,444,311 | Fe6Ni6 | 12 | -69.064009 | 11.791541 |
10,447,528 | 4,462,896 | Mo8Ta8 | 16 | -179.21958 | -7.106406 |
10,447,529 | 4,462,896 | Mo8Ta8 | 16 | -179.21958 | -7.106406 |
10,447,530 | 4,455,230 | Fe6Si6 | 12 | -74.62591 | 8.097011 |
10,447,531 | 4,455,230 | Fe6Si6 | 12 | -74.62591 | 8.097011 |
10,447,532 | 4,456,508 | Sb8Ta8 | 16 | -125.084974 | 3.779637 |
10,447,533 | 4,456,508 | Sb8Ta8 | 16 | -125.084974 | 3.779637 |
10,447,534 | 4,468,973 | Ag8Ta8 | 16 | -92.383878 | 20.02147 |
10,447,535 | 4,468,973 | Ag8Ta8 | 16 | -92.385107 | 20.020242 |
10,447,536 | 4,444,622 | F6W6 | 12 | -48.08589 | 52.608475 |
10,447,537 | 4,444,622 | F6W6 | 12 | -48.08589 | 52.608475 |
10,447,538 | 4,458,723 | Pd6Sn6 | 12 | -59.483368 | -1.727331 |
10,447,539 | 4,458,723 | Pd6Sn6 | 12 | -59.482348 | -1.726311 |
10,447,540 | 4,454,742 | Bi8Sn8 | 16 | -57.927751 | 6.408689 |
10,447,541 | 4,454,742 | Bi8Sn8 | 16 | -57.926142 | 6.410298 |
10,447,542 | 4,457,864 | Pt8Rh8 | 16 | -103.831947 | 10.757189 |
10,447,543 | 4,457,864 | Pt8Rh8 | 16 | -103.831946 | 10.75719 |
10,447,544 | 4,454,673 | Hg6Sn6 | 12 | -24.707067 | 0.305173 |
10,447,545 | 4,454,673 | Hg6Sn6 | 12 | -24.707067 | 0.305173 |
10,447,546 | 4,457,859 | Pt8Rh8 | 16 | -100.368089 | 14.221047 |
10,447,547 | 4,457,859 | Pt8Rh8 | 16 | -100.368089 | 14.221047 |
10,447,548 | 4,454,608 | Os8Sn8 | 16 | -107.209165 | 9.143123 |
10,447,549 | 4,454,608 | Os8Sn8 | 16 | -107.209158 | 9.143131 |
10,447,550 | 4,444,401 | Cu8Fe8 | 16 | -94.373591 | -2.079074 |
10,447,551 | 4,444,401 | Cu8Fe8 | 16 | -94.375977 | -2.081461 |
10,447,552 | 4,449,470 | C4Bi4 | 8 | -38.838153 | 9.792902 |
10,447,553 | 4,449,470 | C4Bi4 | 8 | -38.838043 | 9.793013 |
10,447,554 | 4,458,566 | Bi6Pt6 | 12 | -60.119989 | 3.23736 |
10,447,555 | 4,458,566 | Bi6Pt6 | 12 | -60.119989 | 3.23736 |
10,447,556 | 4,469,491 | Al4Rh4 | 8 | -43.198979 | 4.234019 |
10,447,557 | 4,469,491 | Al4Rh4 | 8 | -43.198972 | 4.234027 |
10,447,558 | 4,444,245 | Fe6Rb6 | 12 | -43.853718 | 11.222964 |
10,447,559 | 4,444,245 | Fe6Rb6 | 12 | -43.853677 | 11.223006 |
10,447,560 | 4,469,602 | AlTa | 2 | -15.640741 | 0.223317 |
10,447,561 | 4,469,602 | AlTa | 2 | -15.640322 | 0.223736 |
10,447,562 | 4,447,169 | Cl8Zr8 | 16 | -98.578698 | -1.345739 |
10,447,563 | 4,447,169 | Cl8Zr8 | 16 | -98.55946 | -1.3265 |
10,447,564 | 4,452,725 | Ba8V8 | 16 | -71.840323 | 19.936629 |
10,447,565 | 4,452,725 | Ba8V8 | 16 | -71.840255 | 19.936697 |
10,447,566 | 4,443,456 | Ba6Ge6 | 12 | -43.987729 | 2.199162 |
10,447,567 | 4,443,456 | Ba6Ge6 | 12 | -43.987729 | 2.199162 |
10,447,568 | 4,468,252 | Au8Pb8 | 16 | -56.647803 | -1.942771 |
10,447,569 | 4,468,252 | Au8Pb8 | 16 | -56.647803 | -1.942771 |
10,447,570 | 4,468,246 | Au8Pb8 | 16 | -53.767991 | 0.937042 |
10,447,571 | 4,468,246 | Au8Pb8 | 16 | -53.741136 | 0.963896 |
10,447,572 | 4,446,035 | Ba8Cs8 | 16 | -19.710331 | 12.539781 |
10,447,573 | 4,446,035 | Ba8Cs8 | 16 | -19.710331 | 12.539781 |
10,447,574 | 4,466,707 | Cs6I6 | 12 | -31.783715 | -9.368616 |
10,447,575 | 4,466,707 | Cs6I6 | 12 | -31.783715 | -9.368616 |
10,447,576 | 4,457,599 | Cs4Ru4 | 8 | -21.15274 | 21.034303 |
10,447,577 | 4,457,599 | Cs4Ru4 | 8 | -21.129876 | 21.057167 |
10,447,578 | 4,451,956 | Cs8Y8 | 16 | -43.380855 | 18.94042 |
10,447,579 | 4,451,956 | Cs8Y8 | 16 | -43.380845 | 18.940429 |
10,447,580 | 4,465,088 | Cs8Li8 | 16 | -19.640436 | 10.154214 |
10,447,581 | 4,465,088 | Cs8Li8 | 16 | -19.640435 | 10.154215 |
10,447,582 | 4,445,976 | Cs2Ir2 | 4 | -9.871513 | 10.840845 |
10,447,583 | 4,445,976 | Cs2Ir2 | 4 | -9.871505 | 10.840853 |
10,447,584 | 4,445,871 | Cs8Os8 | 16 | -75.698333 | 19.098452 |
10,447,585 | 4,445,871 | Cs8Os8 | 16 | -75.698332 | 19.098452 |
10,447,586 | 4,443,374 | Cs8Ge8 | 16 | -45.16555 | 6.419844 |
10,447,587 | 4,443,374 | Cs8Ge8 | 16 | -45.14766 | 6.437735 |
10,447,588 | 4,443,375 | Cs8Ge8 | 16 | -43.878381 | 7.707014 |
10,447,589 | 4,443,375 | Cs8Ge8 | 16 | -43.878402 | 7.706993 |
10,447,590 | 4,445,820 | Cs6W6 | 12 | -67.792957 | 10.511273 |
10,447,591 | 4,445,820 | Cs6W6 | 12 | -67.792956 | 10.511274 |
10,447,592 | 4,466,452 | Cs16In16 | 32 | -53.577602 | 12.532058 |
10,447,593 | 4,466,452 | Cs16In16 | 32 | -53.577602 | 12.532059 |
10,447,594 | 4,448,544 | Ca16La16 | 32 | -100.869215 | 24.601911 |
10,447,595 | 4,448,544 | Ca16La16 | 32 | -100.869325 | 24.6018 |
10,447,596 | 4,459,594 | Ca4P4 | 8 | -36.313404 | -1.087834 |
10,447,597 | 4,459,594 | Ca4P4 | 8 | -36.313404 | -1.087834 |
10,447,598 | 4,459,593 | Ca8P8 | 16 | -69.921916 | 0.529223 |
10,447,599 | 4,459,593 | Ca8P8 | 16 | -69.921916 | 0.529223 |
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