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 |
|---|---|---|---|---|---|
10,900 | 3,292,538 | Pr4S5 | 9 | -51.328871 | -5.160012 |
10,901 | 3,292,538 | Pr4S5 | 9 | -51.319338 | -5.150478 |
10,902 | 3,294,297 | Cu12Er | 13 | -54.862375 | -5.468145 |
10,903 | 3,294,297 | Cu12Er | 13 | -54.711521 | -5.317291 |
10,904 | 3,294,297 | Cu12Er | 13 | -54.453893 | -5.059662 |
10,905 | 3,286,146 | Cl13Pb2 | 15 | -36.729196 | 13.592176 |
10,906 | 3,286,146 | Cl13Pb2 | 15 | -36.46924 | 13.852132 |
10,907 | 3,286,146 | Cl13Pb2 | 15 | -36.317665 | 14.003707 |
10,908 | 3,286,146 | Cl13Pb2 | 15 | -36.167002 | 14.154369 |
10,909 | 3,286,146 | Cl13Pb2 | 15 | -36.002175 | 14.319197 |
10,910 | 3,298,043 | I8U2 | 10 | -40.894004 | 1.736703 |
10,911 | 3,298,043 | I8U2 | 10 | -40.874789 | 1.755918 |
10,912 | 3,288,037 | Cu6Er4 | 10 | -45.192151 | -4.91189 |
10,913 | 3,288,037 | Cu6Er4 | 10 | -45.032473 | -4.752212 |
10,914 | 3,298,454 | Cu16Er4 | 20 | -86.385189 | -8.653342 |
10,915 | 3,298,454 | Cu16Er4 | 20 | -85.875017 | -8.14317 |
10,916 | 3,288,358 | Cu4Er10 | 14 | -63.921104 | -4.417196 |
10,917 | 3,288,358 | Cu4Er10 | 14 | -63.856354 | -4.352445 |
10,918 | 3,288,954 | Cu14Er4 | 18 | -79.426652 | -9.185122 |
10,919 | 3,288,954 | Cu14Er4 | 18 | -79.428755 | -9.187225 |
10,920 | 3,296,610 | As4Ta12 | 16 | -165.890987 | -4.61443 |
10,921 | 3,296,610 | As4Ta12 | 16 | -165.889068 | -4.612511 |
10,922 | 3,288,370 | S4Ta10 | 14 | -139.932153 | -0.824569 |
10,923 | 3,288,370 | S4Ta10 | 14 | -139.928952 | -0.821368 |
10,924 | 3,294,922 | S4Ta2 | 6 | -45.479429 | -0.185427 |
10,925 | 3,294,922 | S4Ta2 | 6 | -45.47609 | -0.182088 |
10,926 | 3,298,247 | I8Pu2 | 10 | -47.864161 | -0.044061 |
10,927 | 3,298,247 | I8Pu2 | 10 | -47.755986 | 0.064114 |
10,928 | 3,288,004 | Dy3N2 | 5 | -37.08753 | -5.362134 |
10,929 | 3,288,004 | Dy3N2 | 5 | -37.079842 | -5.354446 |
10,930 | 3,295,958 | Os4Tc2 | 6 | -64.485278 | -3.121385 |
10,931 | 3,295,958 | Os4Tc2 | 6 | -64.485155 | -3.121263 |
10,932 | 3,295,188 | Cs2Ga4 | 6 | -14.109013 | 1.867377 |
10,933 | 3,295,188 | Cs2Ga4 | 6 | -14.103194 | 1.873197 |
10,934 | 3,292,413 | Sb4Sm5 | 9 | -48.690997 | -7.803122 |
10,935 | 3,292,413 | Sb4Sm5 | 9 | -48.69003 | -7.802155 |
10,936 | 3,286,158 | Cl13U2 | 15 | -66.661285 | 0.428476 |
10,937 | 3,286,158 | Cl13U2 | 15 | -66.507503 | 0.582258 |
10,938 | 3,286,158 | Cl13U2 | 15 | -66.410741 | 0.67902 |
10,939 | 3,287,073 | Au6Sn9 | 15 | -57.542205 | -1.052223 |
10,940 | 3,287,073 | Au6Sn9 | 15 | -57.536553 | -1.046571 |
10,941 | 3,296,640 | Sb2Sm6 | 8 | -40.687792 | -3.890203 |
10,942 | 3,296,640 | Sb2Sm6 | 8 | -40.685501 | -3.887911 |
10,943 | 3,290,608 | Pt5Rh3 | 8 | -52.422844 | 3.753587 |
10,944 | 3,290,608 | Pt5Rh3 | 8 | -52.416229 | 3.760203 |
10,945 | 3,288,622 | Sb4Sm10 | 14 | -72.644302 | -8.394067 |
10,946 | 3,288,622 | Sb4Sm10 | 14 | -72.640643 | -8.390409 |
10,947 | 3,299,563 | Au6Pt | 7 | -25.224352 | 1.101137 |
10,948 | 3,299,563 | Au6Pt | 7 | -25.193396 | 1.132092 |
10,949 | 3,293,014 | Bi5Pb6 | 11 | -41.07376 | 0.016306 |
10,950 | 3,293,014 | Bi5Pb6 | 11 | -41.066596 | 0.02347 |
10,951 | 3,287,758 | Au4Sb6 | 10 | -37.847348 | 1.589414 |
10,952 | 3,287,758 | Au4Sb6 | 10 | -37.836463 | 1.6003 |
10,953 | 3,296,790 | Au2Sn6 | 8 | -30.929168 | 0.156575 |
10,954 | 3,296,790 | Au2Sn6 | 8 | -30.886732 | 0.199011 |
10,955 | 3,297,003 | Au6Bi2 | 8 | -27.254923 | 0.381424 |
10,956 | 3,297,003 | Au6Bi2 | 8 | -27.165339 | 0.471008 |
10,957 | 3,297,003 | Au6Bi2 | 8 | -27.161872 | 0.474475 |
10,958 | 3,286,309 | Au13Sb2 | 15 | -49.183191 | 2.312161 |
10,959 | 3,286,309 | Au13Sb2 | 15 | -49.109138 | 2.386214 |
10,960 | 3,296,923 | Co6Ho2 | 8 | -52.461021 | -3.175553 |
10,961 | 3,296,923 | Co6Ho2 | 8 | -52.354918 | -3.069451 |
10,962 | 3,296,923 | Co6Ho2 | 8 | -52.319597 | -3.03413 |
10,963 | 3,295,704 | Bi2Sn4 | 6 | -23.375563 | 0.879046 |
10,964 | 3,295,704 | Bi2Sn4 | 6 | -23.375655 | 0.878954 |
10,965 | 3,296,494 | Ru4Tb12 | 16 | -96.600752 | -5.646259 |
10,966 | 3,296,494 | Ru4Tb12 | 16 | -96.596791 | -5.642299 |
10,967 | 3,286,126 | Co2Er13 | 15 | -74.067888 | -2.726252 |
10,968 | 3,286,126 | Co2Er13 | 15 | -74.066356 | -2.724719 |
10,969 | 3,293,899 | SeU | 2 | -16.751629 | -0.00337 |
10,970 | 3,293,899 | SeU | 2 | -16.717419 | 0.030841 |
10,971 | 3,293,899 | SeU | 2 | -16.725685 | 0.022574 |
10,972 | 3,299,059 | CsHg5 | 6 | -3.482258 | -1.674161 |
10,973 | 3,299,059 | CsHg5 | 6 | -3.434345 | -1.626248 |
10,974 | 3,297,154 | Au3Np | 4 | -23.423653 | -0.680195 |
10,975 | 3,297,154 | Au3Np | 4 | -23.366227 | -0.622769 |
10,976 | 3,297,154 | Au3Np | 4 | -23.367007 | -0.623548 |
10,977 | 3,287,824 | Au4I6 | 10 | -21.763828 | 5.454892 |
10,978 | 3,287,824 | Au4I6 | 10 | -21.663409 | 5.555311 |
10,979 | 3,287,824 | Au4I6 | 10 | -21.607049 | 5.611671 |
10,980 | 3,288,481 | Au4I10 | 14 | -27.952679 | 8.646194 |
10,981 | 3,288,481 | Au4I10 | 14 | -27.892218 | 8.706655 |
10,982 | 3,295,580 | Cu4O2 | 6 | -27.95318 | 2.222476 |
10,983 | 3,295,580 | Cu4O2 | 6 | -27.893347 | 2.282309 |
10,984 | 3,294,324 | DyNi12 | 13 | -75.568393 | -2.871091 |
10,985 | 3,294,324 | DyNi12 | 13 | -75.568349 | -2.871047 |
10,986 | 3,292,398 | Th4Tl5 | 9 | -41.089999 | 0.282761 |
10,987 | 3,292,398 | Th4Tl5 | 9 | -41.090483 | 0.282277 |
10,988 | 3,300,586 | Pd8Pm | 9 | -49.367291 | -0.265618 |
10,989 | 3,300,586 | Pd8Pm | 9 | -49.346385 | -0.244713 |
10,990 | 3,293,151 | Rh7Ru5 | 12 | -94.657927 | 5.168043 |
10,991 | 3,293,151 | Rh7Ru5 | 12 | -94.527841 | 5.298129 |
10,992 | 3,293,151 | Rh7Ru5 | 12 | -94.250683 | 5.575287 |
10,993 | 3,293,151 | Rh7Ru5 | 12 | -94.412681 | 5.413289 |
10,994 | 3,293,151 | Rh7Ru5 | 12 | -94.280447 | 5.545523 |
10,995 | 3,293,151 | Rh7Ru5 | 12 | -94.153729 | 5.672241 |
10,996 | 3,293,151 | Rh7Ru5 | 12 | -94.018995 | 5.806975 |
10,997 | 3,293,151 | Rh7Ru5 | 12 | -93.888879 | 5.937091 |
10,998 | 3,293,151 | Rh7Ru5 | 12 | -93.755475 | 6.070495 |
10,999 | 3,293,151 | Rh7Ru5 | 12 | -93.606575 | 6.219395 |
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