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 |
|---|---|---|---|---|---|
9,600 | 3,287,112 | Nd8S12 | 20 | -128.94005 | -25.56939 |
9,601 | 3,289,683 | Nd3S4 | 7 | -44.667391 | -8.633469 |
9,602 | 3,289,683 | Nd3S4 | 7 | -44.666524 | -8.632602 |
9,603 | 3,291,035 | Nd6S10 | 16 | -99.79242 | -16.804273 |
9,604 | 3,291,035 | Nd6S10 | 16 | -99.790087 | -16.80194 |
9,605 | 3,297,278 | Sn8Tb2 | 10 | -44.433913 | -2.6968 |
9,606 | 3,297,278 | Sn8Tb2 | 10 | -44.428663 | -2.691551 |
9,607 | 3,287,530 | Sn6Tb4 | 10 | -48.844162 | -6.222433 |
9,608 | 3,287,530 | Sn6Tb4 | 10 | -48.84143 | -6.2197 |
9,609 | 3,295,070 | Sn2Tb4 | 6 | -30.05367 | -3.772939 |
9,610 | 3,295,070 | Sn2Tb4 | 6 | -30.052963 | -3.772232 |
9,611 | 3,286,683 | Sn8Tb12 | 20 | -99.620565 | -12.607873 |
9,612 | 3,286,683 | Sn8Tb12 | 20 | -99.609418 | -12.596726 |
9,613 | 3,292,313 | Sn4Tb5 | 9 | -42.882201 | -3.903413 |
9,614 | 3,292,313 | Sn4Tb5 | 9 | -42.877604 | -3.898816 |
9,615 | 3,294,017 | Pd4S4 | 8 | -37.986472 | 6.017161 |
9,616 | 3,294,017 | Pd4S4 | 8 | -37.986472 | 6.017161 |
9,617 | 3,299,009 | Sn10Tb2 | 12 | -52.321015 | -2.413403 |
9,618 | 3,299,009 | Sn10Tb2 | 12 | -52.334312 | -2.426701 |
9,619 | 3,297,129 | O6Tc2 | 8 | -57.88493 | 7.228882 |
9,620 | 3,297,129 | O6Tc2 | 8 | -57.772898 | 7.340913 |
9,621 | 3,297,129 | O6Tc2 | 8 | -57.68346 | 7.430351 |
9,622 | 3,297,129 | O6Tc2 | 8 | -57.507375 | 7.606437 |
9,623 | 3,297,129 | O6Tc2 | 8 | -57.571889 | 7.541923 |
9,624 | 3,297,224 | Cd2Sn8 | 10 | -33.02216 | 1.278845 |
9,625 | 3,297,224 | Cd2Sn8 | 10 | -33.023016 | 1.277989 |
9,626 | 3,300,496 | Cd8Sn | 9 | -11.133455 | -0.572169 |
9,627 | 3,300,496 | Cd8Sn | 9 | -11.547954 | -0.986668 |
9,628 | 3,300,496 | Cd8Sn | 9 | -11.321741 | -0.760454 |
9,629 | 3,300,496 | Cd8Sn | 9 | -9.414762 | 1.146524 |
9,630 | 3,300,496 | Cd8Sn | 9 | -11.24227 | -0.680983 |
9,631 | 3,300,496 | Cd8Sn | 9 | -10.813393 | -0.252107 |
9,632 | 3,300,496 | Cd8Sn | 9 | -10.535272 | 0.026014 |
9,633 | 3,300,496 | Cd8Sn | 9 | -10.374498 | 0.186788 |
9,634 | 3,300,496 | Cd8Sn | 9 | -10.137761 | 0.423526 |
9,635 | 3,300,496 | Cd8Sn | 9 | -8.11287 | 2.448417 |
9,636 | 3,300,496 | Cd8Sn | 9 | -9.100035 | 1.461252 |
9,637 | 3,300,496 | Cd8Sn | 9 | -5.849238 | 4.712049 |
9,638 | 3,300,496 | Cd8Sn | 9 | -3.962862 | 6.598425 |
9,639 | 3,300,496 | Cd8Sn | 9 | -3.309714 | 7.251573 |
9,640 | 3,300,496 | Cd8Sn | 9 | -3.139698 | 7.421589 |
9,641 | 3,289,199 | Cd13Sn3 | 16 | -23.125535 | -0.346227 |
9,642 | 3,289,199 | Cd13Sn3 | 16 | -23.044501 | -0.265193 |
9,643 | 3,288,295 | Cd10Sn4 | 14 | -24.492374 | -0.05633 |
9,644 | 3,288,295 | Cd10Sn4 | 14 | -24.396038 | 0.040006 |
9,645 | 3,285,961 | Cs13Na2 | 15 | -13.517436 | 7.885417 |
9,646 | 3,285,961 | Cs13Na2 | 15 | -13.4755 | 7.927353 |
9,647 | 3,297,097 | B12Nd4 | 16 | -98.521754 | 4.281916 |
9,648 | 3,297,097 | B12Nd4 | 16 | -98.517378 | 4.286292 |
9,649 | 3,297,715 | Ag2Br8 | 10 | -20.096488 | 7.360728 |
9,650 | 3,297,715 | Ag2Br8 | 10 | -19.978309 | 7.478908 |
9,651 | 3,297,715 | Ag2Br8 | 10 | -19.847183 | 7.610033 |
9,652 | 3,297,715 | Ag2Br8 | 10 | -19.700961 | 7.756255 |
9,653 | 3,297,715 | Ag2Br8 | 10 | -19.577335 | 7.879881 |
9,654 | 3,297,715 | Ag2Br8 | 10 | -19.474919 | 7.982297 |
9,655 | 3,297,715 | Ag2Br8 | 10 | -19.368504 | 8.088713 |
9,656 | 3,297,715 | Ag2Br8 | 10 | -19.280561 | 8.176655 |
9,657 | 3,292,725 | Ag5Br6 | 11 | -27.571236 | 1.155574 |
9,658 | 3,292,725 | Ag5Br6 | 11 | -27.541702 | 1.185108 |
9,659 | 3,294,123 | Bi2Rb2 | 4 | -10.958308 | -0.269115 |
9,660 | 3,294,123 | Bi2Rb2 | 4 | -10.958344 | -0.269151 |
9,661 | 3,289,818 | Cd3In4 | 7 | -13.220851 | 0.171831 |
9,662 | 3,289,818 | Cd3In4 | 7 | -13.2141 | 0.178582 |
9,663 | 3,288,043 | Bi6Rb4 | 10 | -29.709229 | -0.417231 |
9,664 | 3,288,043 | Bi6Rb4 | 10 | -29.709229 | -0.417231 |
9,665 | 3,289,667 | Rh6Sn8 | 14 | -77.094042 | 1.91329 |
9,666 | 3,289,667 | Rh6Sn8 | 14 | -77.092492 | 1.91484 |
9,667 | 3,298,014 | Hg8Sc2 | 10 | -15.569761 | -1.813243 |
9,668 | 3,298,014 | Hg8Sc2 | 10 | -15.363814 | -1.607295 |
9,669 | 3,298,014 | Hg8Sc2 | 10 | -15.567316 | -1.810797 |
9,670 | 3,298,014 | Hg8Sc2 | 10 | -15.512765 | -1.756247 |
9,671 | 3,291,234 | Hg7Sc3 | 10 | -23.643986 | -3.426494 |
9,672 | 3,291,234 | Hg7Sc3 | 10 | -23.645232 | -3.42774 |
9,673 | 3,292,197 | Nd5Pr4 | 9 | -42.873647 | -0.350021 |
9,674 | 3,292,197 | Nd5Pr4 | 9 | -42.869634 | -0.346008 |
9,675 | 3,289,128 | Nd2Pr7 | 9 | -42.690578 | -0.209192 |
9,676 | 3,289,128 | Nd2Pr7 | 9 | -42.687179 | -0.205793 |
9,677 | 3,288,077 | Ir2Ni3 | 5 | -34.729639 | 0.253902 |
9,678 | 3,288,077 | Ir2Ni3 | 5 | -34.72972 | 0.253821 |
9,679 | 3,297,324 | Ir4Ni | 5 | -41.167667 | 0.37807 |
9,680 | 3,297,324 | Ir4Ni | 5 | -41.163225 | 0.382512 |
9,681 | 3,296,697 | Ir3Ni | 4 | -31.228083 | 1.352287 |
9,682 | 3,296,697 | Ir3Ni | 4 | -31.222712 | 1.357658 |
9,683 | 3,287,767 | Ir3Ni2 | 5 | -35.145336 | 3.119303 |
9,684 | 3,287,767 | Ir3Ni2 | 5 | -35.074616 | 3.190023 |
9,685 | 3,287,767 | Ir3Ni2 | 5 | -35.123752 | 3.140887 |
9,686 | 3,298,650 | Ir5Ni | 6 | -49.849257 | 0.661848 |
9,687 | 3,298,650 | Ir5Ni | 6 | -49.84923 | 0.661874 |
9,688 | 3,297,323 | Ir2Ni8 | 10 | -60.039631 | 3.365256 |
9,689 | 3,297,323 | Ir2Ni8 | 10 | -59.739001 | 3.665885 |
9,690 | 3,297,323 | Ir2Ni8 | 10 | -59.787404 | 3.617482 |
9,691 | 3,296,536 | Pd12S4 | 16 | -80.746933 | 7.582753 |
9,692 | 3,296,536 | Pd12S4 | 16 | -80.752147 | 7.57754 |
9,693 | 3,297,910 | Pd8S2 | 10 | -50.401462 | 4.844894 |
9,694 | 3,297,910 | Pd8S2 | 10 | -50.404824 | 4.841532 |
9,695 | 3,292,109 | Ir4Sm5 | 9 | -64.875335 | -5.651507 |
9,696 | 3,292,109 | Ir4Sm5 | 9 | -64.870118 | -5.64629 |
9,697 | 3,285,653 | Al2Pt13 | 15 | -89.511214 | 4.599291 |
9,698 | 3,285,653 | Al2Pt13 | 15 | -89.509774 | 4.600731 |
9,699 | 3,289,691 | Rh6Te8 | 14 | -74.406663 | 3.301256 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.