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 |
|---|---|---|---|---|---|
7,900 | 3,287,880 | Ce12P8 | 20 | -136.441895 | -6.605634 |
7,901 | 3,287,880 | Ce12P8 | 20 | -136.312251 | -6.47599 |
7,902 | 3,291,853 | Ho8La3 | 11 | -45.407408 | 5.646871 |
7,903 | 3,291,853 | Ho8La3 | 11 | -45.406393 | 5.647886 |
7,904 | 3,293,354 | Ho5La7 | 12 | -55.58999 | 2.710914 |
7,905 | 3,293,354 | Ho5La7 | 12 | -55.203375 | 3.097529 |
7,906 | 3,293,354 | Ho5La7 | 12 | -55.014617 | 3.286287 |
7,907 | 3,293,354 | Ho5La7 | 12 | -55.534913 | 2.765991 |
7,908 | 3,293,051 | Ho6La5 | 11 | -50.552873 | 1.899387 |
7,909 | 3,293,051 | Ho6La5 | 11 | -50.553583 | 1.898676 |
7,910 | 3,298,154 | HoLa4 | 5 | -24.163891 | 0.885392 |
7,911 | 3,298,154 | HoLa4 | 5 | -24.163544 | 0.885739 |
7,912 | 3,285,537 | Ho2La13 | 15 | -71.310605 | 4.536233 |
7,913 | 3,285,537 | Ho2La13 | 15 | -71.310423 | 4.536415 |
7,914 | 3,297,619 | Ho4La | 5 | -23.080386 | -0.128074 |
7,915 | 3,297,619 | Ho4La | 5 | -23.080065 | -0.127753 |
7,916 | 3,287,024 | Ho6La4 | 10 | -45.885246 | 1.417358 |
7,917 | 3,287,024 | Ho6La4 | 10 | -45.884669 | 1.417935 |
7,918 | 3,298,806 | HoLa5 | 6 | -29.077825 | 1.121113 |
7,919 | 3,298,806 | HoLa5 | 6 | -29.077909 | 1.121028 |
7,920 | 3,291,505 | Ho14La6 | 20 | -89.953508 | 3.253721 |
7,921 | 3,291,505 | Ho14La6 | 20 | -89.952477 | 3.254752 |
7,922 | 3,290,164 | Ho8La6 | 14 | -65.039187 | 1.464055 |
7,923 | 3,290,164 | Ho8La6 | 14 | -65.038382 | 1.464861 |
7,924 | 3,300,348 | HoLa8 | 9 | -43.836211 | 1.81169 |
7,925 | 3,300,348 | HoLa8 | 9 | -43.836348 | 1.811553 |
7,926 | 3,294,604 | Ho4La8 | 12 | -57.26907 | 1.730824 |
7,927 | 3,294,604 | Ho4La8 | 12 | -57.269384 | 1.73051 |
7,928 | 3,289,353 | Ho13La3 | 16 | -73.846333 | -0.538732 |
7,929 | 3,289,353 | Ho13La3 | 16 | -73.633415 | -0.325814 |
7,930 | 3,289,353 | Ho13La3 | 16 | -73.845684 | -0.538083 |
7,931 | 3,289,353 | Ho13La3 | 16 | -73.84542 | -0.537819 |
7,932 | 3,292,465 | Ho5La4 | 9 | -42.29441 | 0.557531 |
7,933 | 3,292,465 | Ho5La4 | 9 | -42.294034 | 0.557906 |
7,934 | 3,292,113 | Dy5Ir4 | 9 | -65.368538 | -7.076698 |
7,935 | 3,292,113 | Dy5Ir4 | 9 | -65.362101 | -7.070261 |
7,936 | 3,292,628 | Sm8Tl10 | 18 | -67.446781 | -8.81658 |
7,937 | 3,292,628 | Sm8Tl10 | 18 | -67.414573 | -8.784372 |
7,938 | 3,297,006 | F6Pt2 | 8 | -30.824345 | 13.116166 |
7,939 | 3,297,006 | F6Pt2 | 8 | -30.742135 | 13.198376 |
7,940 | 3,297,006 | F6Pt2 | 8 | -30.659787 | 13.280724 |
7,941 | 3,297,006 | F6Pt2 | 8 | -30.480234 | 13.460277 |
7,942 | 3,297,006 | F6Pt2 | 8 | -30.390245 | 13.550266 |
7,943 | 3,297,006 | F6Pt2 | 8 | -30.224623 | 13.715888 |
7,944 | 3,297,006 | F6Pt2 | 8 | -30.122007 | 13.818504 |
7,945 | 3,297,006 | F6Pt2 | 8 | -30.009037 | 13.931474 |
7,946 | 3,288,560 | Mo4Ta10 | 14 | -159.993619 | -3.576846 |
7,947 | 3,288,560 | Mo4Ta10 | 14 | -159.99163 | -3.574857 |
7,948 | 3,291,419 | Mo6Ta14 | 20 | -227.677817 | -4.779355 |
7,949 | 3,291,419 | Mo6Ta14 | 20 | -227.677798 | -4.779336 |
7,950 | 3,295,825 | Ga8Mo4 | 12 | -69.450158 | -3.910828 |
7,951 | 3,295,825 | Ga8Mo4 | 12 | -69.446451 | -3.907121 |
7,952 | 3,288,123 | Mo6Ta4 | 10 | -111.228388 | -5.596903 |
7,953 | 3,288,123 | Mo6Ta4 | 10 | -111.226231 | -5.594746 |
7,954 | 3,296,062 | Sb4Tl12 | 16 | -45.018132 | -1.992108 |
7,955 | 3,296,062 | Sb4Tl12 | 16 | -44.94667 | -1.920646 |
7,956 | 3,291,421 | Sb6Tl14 | 20 | -57.184389 | -1.145522 |
7,957 | 3,291,421 | Sb6Tl14 | 20 | -57.096422 | -1.057556 |
7,958 | 3,287,966 | In6La4 | 10 | -41.079102 | -4.034231 |
7,959 | 3,287,966 | In6La4 | 10 | -41.072713 | -4.027842 |
7,960 | 3,291,001 | In3La5 | 8 | -35.695959 | -1.72456 |
7,961 | 3,291,001 | In3La5 | 8 | -35.695947 | -1.724547 |
7,962 | 3,290,233 | In6La8 | 14 | -61.853248 | -4.209759 |
7,963 | 3,290,233 | In6La8 | 14 | -61.853386 | -4.209897 |
7,964 | 3,288,673 | In4La10 | 14 | -64.325496 | -1.864782 |
7,965 | 3,288,673 | In4La10 | 14 | -64.320092 | -1.859378 |
7,966 | 3,287,383 | In2La3 | 5 | -22.34383 | -1.412782 |
7,967 | 3,287,383 | In2La3 | 5 | -22.29382 | -1.362772 |
7,968 | 3,287,383 | In2La3 | 5 | -22.291555 | -1.360507 |
7,969 | 3,287,503 | Mg8Y12 | 20 | -89.889892 | 0.8034 |
7,970 | 3,287,503 | Mg8Y12 | 20 | -89.854771 | 0.838521 |
7,971 | 3,297,876 | MgY4 | 5 | -27.564571 | -0.22954 |
7,972 | 3,297,876 | MgY4 | 5 | -27.56061 | -0.225579 |
7,973 | 3,288,067 | Mg3Y2 | 5 | -17.507208 | 0.504407 |
7,974 | 3,288,067 | Mg3Y2 | 5 | -17.494256 | 0.517359 |
7,975 | 3,286,253 | Mg13Y2 | 15 | -29.522258 | 5.865755 |
7,976 | 3,286,253 | Mg13Y2 | 15 | -29.436884 | 5.951129 |
7,977 | 3,295,717 | Mg2Y4 | 6 | -29.392014 | -0.319344 |
7,978 | 3,295,717 | Mg2Y4 | 6 | -29.391944 | -0.319273 |
7,979 | 3,296,220 | Te6Zr2 | 8 | -40.536766 | 0.65928 |
7,980 | 3,296,220 | Te6Zr2 | 8 | -40.536282 | 0.659764 |
7,981 | 3,297,914 | Te2Zr8 | 10 | -77.192734 | 1.289343 |
7,982 | 3,297,914 | Te2Zr8 | 10 | -77.1903 | 1.291777 |
7,983 | 3,292,870 | Te6Zr5 | 11 | -69.91156 | -2.226853 |
7,984 | 3,292,870 | Te6Zr5 | 11 | -69.91004 | -2.225332 |
7,985 | 3,298,285 | I8Pt2 | 10 | -25.453876 | 6.511934 |
7,986 | 3,298,285 | I8Pt2 | 10 | -25.353416 | 6.612395 |
7,987 | 3,298,285 | I8Pt2 | 10 | -25.308073 | 6.657738 |
7,988 | 3,294,827 | Au2Cs4 | 6 | -11.24367 | 0.893822 |
7,989 | 3,294,827 | Au2Cs4 | 6 | -11.365723 | 0.771768 |
7,990 | 3,294,827 | Au2Cs4 | 6 | -11.303843 | 0.833649 |
7,991 | 3,294,827 | Au2Cs4 | 6 | -11.22297 | 0.914521 |
7,992 | 3,294,827 | Au2Cs4 | 6 | -11.10502 | 1.032472 |
7,993 | 3,294,827 | Au2Cs4 | 6 | -10.653506 | 1.483986 |
7,994 | 3,294,827 | Au2Cs4 | 6 | -10.714804 | 1.422688 |
7,995 | 3,294,827 | Au2Cs4 | 6 | -10.670713 | 1.466778 |
7,996 | 3,294,827 | Au2Cs4 | 6 | -8.217691 | 3.9198 |
7,997 | 3,294,827 | Au2Cs4 | 6 | -7.081993 | 5.055499 |
7,998 | 3,294,827 | Au2Cs4 | 6 | -6.729839 | 5.407653 |
7,999 | 3,287,296 | Ge2Ni3 | 5 | -27.518728 | -0.351195 |
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