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 |
|---|---|---|---|---|---|
10,500 | 3,288,483 | Au10Mn4 | 14 | -67.075841 | 0.102428 |
10,501 | 3,288,483 | Au10Mn4 | 14 | -66.763558 | 0.414712 |
10,502 | 3,288,483 | Au10Mn4 | 14 | -66.596022 | 0.582247 |
10,503 | 3,288,483 | Au10Mn4 | 14 | -66.451689 | 0.72658 |
10,504 | 3,288,483 | Au10Mn4 | 14 | -66.275547 | 0.902722 |
10,505 | 3,288,483 | Au10Mn4 | 14 | -65.657037 | 1.521232 |
10,506 | 3,288,483 | Au10Mn4 | 14 | -65.534031 | 1.644238 |
10,507 | 3,292,367 | Li4Pd5 | 9 | -36.664338 | 0.373524 |
10,508 | 3,292,367 | Li4Pd5 | 9 | -36.656858 | 0.381003 |
10,509 | 3,294,744 | Li2Pd | 3 | -10.157801 | 0.049995 |
10,510 | 3,294,744 | Li2Pd | 3 | -10.12614 | 0.081656 |
10,511 | 3,294,744 | Li2Pd | 3 | -10.094285 | 0.113511 |
10,512 | 3,294,744 | Li2Pd | 3 | -10.050415 | 0.157381 |
10,513 | 3,297,387 | LiPd4 | 5 | -23.468301 | 1.028246 |
10,514 | 3,297,387 | LiPd4 | 5 | -23.469025 | 1.027521 |
10,515 | 3,286,986 | Li3Pd2 | 5 | -18.077127 | 0.004945 |
10,516 | 3,286,986 | Li3Pd2 | 5 | -18.062818 | 0.019254 |
10,517 | 3,291,728 | Li8Pd3 | 11 | -31.923789 | 3.366638 |
10,518 | 3,291,728 | Li8Pd3 | 11 | -31.721322 | 3.569105 |
10,519 | 3,291,728 | Li8Pd3 | 11 | -31.849483 | 3.440944 |
10,520 | 3,291,728 | Li8Pd3 | 11 | -31.740165 | 3.550262 |
10,521 | 3,299,240 | Au2Pb10 | 12 | -43.567879 | -1.48357 |
10,522 | 3,299,240 | Au2Pb10 | 12 | -43.525543 | -1.441234 |
10,523 | 3,287,056 | Ni6Pt4 | 10 | -57.711531 | 2.805094 |
10,524 | 3,287,056 | Ni6Pt4 | 10 | -57.405225 | 3.1114 |
10,525 | 3,287,056 | Ni6Pt4 | 10 | -57.539575 | 2.97705 |
10,526 | 3,292,729 | Ni5Pt6 | 11 | -64.879692 | 3.15817 |
10,527 | 3,292,729 | Ni5Pt6 | 11 | -64.616711 | 3.421151 |
10,528 | 3,292,729 | Ni5Pt6 | 11 | -64.761203 | 3.276658 |
10,529 | 3,292,288 | Ni5Pt4 | 9 | -53.578712 | 1.253644 |
10,530 | 3,292,288 | Ni5Pt4 | 9 | -53.327691 | 1.504665 |
10,531 | 3,292,288 | Ni5Pt4 | 9 | -53.467372 | 1.364984 |
10,532 | 3,289,910 | Ni4Pt3 | 7 | -41.920863 | 0.624471 |
10,533 | 3,289,910 | Ni4Pt3 | 7 | -41.710147 | 0.835187 |
10,534 | 3,289,910 | Ni4Pt3 | 7 | -41.819944 | 0.72539 |
10,535 | 3,291,119 | Ni3Pt7 | 10 | -60.362162 | 2.909914 |
10,536 | 3,291,119 | Ni3Pt7 | 10 | -60.219862 | 3.052214 |
10,537 | 3,291,119 | Ni3Pt7 | 10 | -60.319165 | 2.952911 |
10,538 | 3,297,179 | NiPt4 | 5 | -27.714772 | 4.380508 |
10,539 | 3,297,179 | NiPt4 | 5 | -27.813692 | 4.281588 |
10,540 | 3,297,179 | NiPt4 | 5 | -27.591331 | 4.503949 |
10,541 | 3,297,179 | NiPt4 | 5 | -27.403386 | 4.691894 |
10,542 | 3,297,179 | NiPt4 | 5 | -27.350798 | 4.744481 |
10,543 | 3,297,179 | NiPt4 | 5 | -24.092676 | 8.002604 |
10,544 | 3,297,179 | NiPt4 | 5 | -14.443793 | 17.651487 |
10,545 | 3,297,179 | NiPt4 | 5 | -21.049055 | 11.046224 |
10,546 | 3,297,179 | NiPt4 | 5 | -20.340894 | 11.754386 |
10,547 | 3,297,179 | NiPt4 | 5 | -11.68429 | 20.41099 |
10,548 | 3,297,180 | Ni4Pt | 5 | -27.745952 | 1.593877 |
10,549 | 3,297,180 | Ni4Pt | 5 | -27.746487 | 1.593342 |
10,550 | 3,291,120 | Ni7Pt3 | 10 | -59.369266 | 0.228875 |
10,551 | 3,291,120 | Ni7Pt3 | 10 | -58.996485 | 0.601656 |
10,552 | 3,291,120 | Ni7Pt3 | 10 | -59.150748 | 0.447393 |
10,553 | 3,291,603 | Ni8Pt3 | 11 | -58.461008 | 6.821402 |
10,554 | 3,291,603 | Ni8Pt3 | 11 | -58.460879 | 6.821532 |
10,555 | 3,299,673 | DyY7 | 8 | -49.603634 | -0.322125 |
10,556 | 3,299,673 | DyY7 | 8 | -49.600492 | -0.318984 |
10,557 | 3,285,586 | Dy13Er2 | 15 | -68.027209 | -0.803588 |
10,558 | 3,285,586 | Dy13Er2 | 15 | -68.022311 | -0.79869 |
10,559 | 3,298,674 | Pd10Zn2 | 12 | -57.153119 | 0.84975 |
10,560 | 3,298,674 | Pd10Zn2 | 12 | -57.156129 | 0.84674 |
10,561 | 3,286,197 | Hg2Sm13 | 15 | -63.248848 | -2.339798 |
10,562 | 3,286,197 | Hg2Sm13 | 15 | -63.244275 | -2.335225 |
10,563 | 3,299,686 | CdSm7 | 8 | -34.205026 | -0.688217 |
10,564 | 3,299,686 | CdSm7 | 8 | -34.203774 | -0.686965 |
10,565 | 3,290,488 | Dy5Sm3 | 8 | -37.006986 | -0.559198 |
10,566 | 3,290,488 | Dy5Sm3 | 8 | -37.003768 | -0.55598 |
10,567 | 3,287,973 | Au4Zr6 | 10 | -66.051646 | 0.074168 |
10,568 | 3,287,973 | Au4Zr6 | 10 | -66.03294 | 0.092873 |
10,569 | 3,292,155 | Rh4Sm5 | 9 | -59.046285 | -4.800368 |
10,570 | 3,292,155 | Rh4Sm5 | 9 | -59.030523 | -4.784606 |
10,571 | 3,290,597 | Sm5Tl3 | 8 | -32.717241 | -2.979754 |
10,572 | 3,290,597 | Sm5Tl3 | 8 | -32.708179 | -2.970692 |
10,573 | 3,296,588 | Tm3Zn | 4 | -15.33656 | -0.945081 |
10,574 | 3,296,588 | Tm3Zn | 4 | -15.335663 | -0.944183 |
10,575 | 3,296,761 | Au3Zr | 4 | -18.260876 | 0.430046 |
10,576 | 3,296,761 | Au3Zr | 4 | -18.23126 | 0.459661 |
10,577 | 3,294,990 | In2Tm4 | 6 | -25.428171 | -2.487649 |
10,578 | 3,294,990 | In2Tm4 | 6 | -25.427208 | -2.486686 |
10,579 | 3,288,113 | Au2Mg3 | 5 | -13.886476 | -2.099311 |
10,580 | 3,288,113 | Au2Mg3 | 5 | -13.878975 | -2.09181 |
10,581 | 3,299,725 | Ag7Tl | 8 | -21.963675 | -3.570836 |
10,582 | 3,299,725 | Ag7Tl | 8 | -21.932139 | -3.5393 |
10,583 | 3,288,482 | Au10Mg4 | 14 | -44.768985 | -4.947199 |
10,584 | 3,288,482 | Au10Mg4 | 14 | -44.806003 | -4.984217 |
10,585 | 3,297,377 | Au8Mg2 | 10 | -31.595015 | -1.822754 |
10,586 | 3,297,377 | Au8Mg2 | 10 | -31.597321 | -1.825061 |
10,587 | 3,300,044 | Ag8Pt | 9 | -28.395327 | -3.200807 |
10,588 | 3,300,044 | Ag8Pt | 9 | -28.353275 | -3.158755 |
10,589 | 3,289,500 | Ho3Te4 | 7 | -35.671426 | -6.628141 |
10,590 | 3,289,500 | Ho3Te4 | 7 | -35.669752 | -6.626467 |
10,591 | 3,294,897 | Cd2Ho4 | 6 | -20.195538 | -0.773871 |
10,592 | 3,294,897 | Cd2Ho4 | 6 | -20.132796 | -0.71113 |
10,593 | 3,294,897 | Cd2Ho4 | 6 | -20.128736 | -0.70707 |
10,594 | 3,300,246 | Ho8Tl | 9 | -39.332428 | -1.60207 |
10,595 | 3,300,246 | Ho8Tl | 9 | -39.214812 | -1.484454 |
10,596 | 3,300,246 | Ho8Tl | 9 | -37.728299 | 0.002059 |
10,597 | 3,300,246 | Ho8Tl | 9 | -36.204032 | 1.526326 |
10,598 | 3,300,246 | Ho8Tl | 9 | -36.104307 | 1.62605 |
10,599 | 3,300,246 | Ho8Tl | 9 | -34.414549 | 3.315809 |
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