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 |
|---|---|---|---|---|---|
10,443,900 | 6,149,324 | C4B8 | 12 | -76.437328 | 12.286006 |
10,443,901 | 6,149,324 | C4B8 | 12 | -75.947478 | 12.775856 |
10,443,902 | 6,149,324 | C4B8 | 12 | -75.716611 | 13.006722 |
10,443,903 | 6,149,324 | C4B8 | 12 | -74.989194 | 13.73414 |
10,443,904 | 6,149,347 | C4B8 | 12 | -85.949146 | 2.774188 |
10,443,905 | 6,149,347 | C4B8 | 12 | -85.827847 | 2.895487 |
10,443,906 | 6,149,347 | C4B8 | 12 | -85.689246 | 3.034087 |
10,443,907 | 6,149,347 | C4B8 | 12 | -85.45468 | 3.268654 |
10,443,908 | 6,149,347 | C4B8 | 12 | -85.287141 | 3.436192 |
10,443,909 | 6,149,347 | C4B8 | 12 | -84.874881 | 3.848453 |
10,443,910 | 6,149,347 | C4B8 | 12 | -84.668839 | 4.054494 |
10,443,911 | 6,149,347 | C4B8 | 12 | -84.45854 | 4.264793 |
10,443,912 | 6,149,347 | C4B8 | 12 | -84.580978 | 4.142356 |
10,443,913 | 6,149,347 | C4B8 | 12 | -84.457186 | 4.266148 |
10,443,914 | 6,149,347 | C4B8 | 12 | -84.307771 | 4.415562 |
10,443,915 | 6,149,347 | C4B8 | 12 | -84.162859 | 4.560475 |
10,443,916 | 6,149,347 | C4B8 | 12 | -84.012296 | 4.711038 |
10,443,917 | 6,149,347 | C4B8 | 12 | -83.864678 | 4.858656 |
10,443,918 | 6,149,347 | C4B8 | 12 | -83.666818 | 5.056516 |
10,443,919 | 6,149,347 | C4B8 | 12 | -82.89993 | 5.823404 |
10,443,920 | 6,149,347 | C4B8 | 12 | -78.914547 | 9.808787 |
10,443,921 | 6,149,354 | C4B8 | 12 | -82.309847 | 6.413487 |
10,443,922 | 6,149,354 | C4B8 | 12 | -82.182672 | 6.540661 |
10,443,923 | 6,149,354 | C4B8 | 12 | -82.057452 | 6.665882 |
10,443,924 | 6,149,354 | C4B8 | 12 | -81.906478 | 6.816856 |
10,443,925 | 6,149,354 | C4B8 | 12 | -81.701236 | 7.022098 |
10,443,926 | 6,149,354 | C4B8 | 12 | -81.581037 | 7.142296 |
10,443,927 | 6,149,354 | C4B8 | 12 | -81.323694 | 7.39964 |
10,443,928 | 6,149,354 | C4B8 | 12 | -81.128912 | 7.594421 |
10,443,929 | 6,149,354 | C4B8 | 12 | -80.951586 | 7.771748 |
10,443,930 | 6,149,354 | C4B8 | 12 | -80.626298 | 8.097036 |
10,443,931 | 6,149,354 | C4B8 | 12 | -80.262458 | 8.460875 |
10,443,932 | 6,149,354 | C4B8 | 12 | -80.100474 | 8.62286 |
10,443,933 | 6,149,354 | C4B8 | 12 | -79.76286 | 8.960474 |
10,443,934 | 6,149,354 | C4B8 | 12 | -79.303168 | 9.420166 |
10,443,935 | 6,149,354 | C4B8 | 12 | -78.970577 | 9.752757 |
10,443,936 | 6,149,354 | C4B8 | 12 | -78.53879 | 10.184544 |
10,443,937 | 6,149,354 | C4B8 | 12 | -77.986084 | 10.737249 |
10,443,938 | 6,149,354 | C4B8 | 12 | -77.69022 | 11.033113 |
10,443,939 | 6,149,354 | C4B8 | 12 | -77.412937 | 11.310397 |
10,443,940 | 6,149,354 | C4B8 | 12 | -77.290072 | 11.433262 |
10,443,941 | 6,149,354 | C4B8 | 12 | -77.13653 | 11.586803 |
10,443,942 | 6,149,354 | C4B8 | 12 | -76.641969 | 12.081365 |
10,443,943 | 6,149,354 | C4B8 | 12 | -77.066342 | 11.656992 |
10,443,944 | 6,149,354 | C4B8 | 12 | -76.916591 | 11.806742 |
10,443,945 | 6,149,354 | C4B8 | 12 | -76.727854 | 11.99548 |
10,443,946 | 6,149,354 | C4B8 | 12 | -76.60703 | 12.116304 |
10,443,947 | 6,149,354 | C4B8 | 12 | -76.375761 | 12.347572 |
10,443,948 | 6,149,354 | C4B8 | 12 | -75.776072 | 12.947262 |
10,443,949 | 6,149,354 | C4B8 | 12 | -75.606984 | 13.116349 |
10,443,950 | 6,149,354 | C4B8 | 12 | -74.803037 | 13.920297 |
10,443,951 | 6,149,370 | C4B8 | 12 | -84.020833 | 4.7025 |
10,443,952 | 6,149,370 | C4B8 | 12 | -83.89763 | 4.825704 |
10,443,953 | 6,149,370 | C4B8 | 12 | -83.759856 | 4.963478 |
10,443,954 | 6,149,370 | C4B8 | 12 | -83.549867 | 5.173467 |
10,443,955 | 6,149,370 | C4B8 | 12 | -83.390323 | 5.333011 |
10,443,956 | 6,149,370 | C4B8 | 12 | -83.252895 | 5.470439 |
10,443,957 | 6,149,370 | C4B8 | 12 | -83.115819 | 5.607515 |
10,443,958 | 6,149,370 | C4B8 | 12 | -82.651696 | 6.071637 |
10,443,959 | 6,149,370 | C4B8 | 12 | -82.502801 | 6.220532 |
10,443,960 | 6,149,370 | C4B8 | 12 | -79.028512 | 9.694822 |
10,443,961 | 6,149,495 | C4B8 | 12 | -84.443542 | 4.279792 |
10,443,962 | 6,149,495 | C4B8 | 12 | -84.24174 | 4.481593 |
10,443,963 | 6,149,495 | C4B8 | 12 | -84.045588 | 4.677746 |
10,443,964 | 6,149,495 | C4B8 | 12 | -83.660489 | 5.062845 |
10,443,965 | 6,149,495 | C4B8 | 12 | -83.213543 | 5.50979 |
10,443,966 | 6,149,495 | C4B8 | 12 | -83.030726 | 5.692607 |
10,443,967 | 6,149,495 | C4B8 | 12 | -82.844471 | 5.878862 |
10,443,968 | 6,149,495 | C4B8 | 12 | -81.74121 | 6.982124 |
10,443,969 | 6,149,495 | C4B8 | 12 | -82.580183 | 6.143151 |
10,443,970 | 6,149,495 | C4B8 | 12 | -82.211455 | 6.511879 |
10,443,971 | 6,149,495 | C4B8 | 12 | -82.054455 | 6.668879 |
10,443,972 | 6,149,495 | C4B8 | 12 | -81.763015 | 6.960319 |
10,443,973 | 6,149,495 | C4B8 | 12 | -80.564646 | 8.158688 |
10,443,974 | 6,149,495 | C4B8 | 12 | -77.660209 | 11.063125 |
10,443,975 | 6,149,641 | C4B8 | 12 | -84.025691 | 4.697643 |
10,443,976 | 6,149,641 | C4B8 | 12 | -83.901805 | 4.821529 |
10,443,977 | 6,149,641 | C4B8 | 12 | -83.753577 | 4.969756 |
10,443,978 | 6,149,641 | C4B8 | 12 | -83.56603 | 5.157304 |
10,443,979 | 6,149,641 | C4B8 | 12 | -82.542445 | 6.180888 |
10,443,980 | 6,149,641 | C4B8 | 12 | -78.923535 | 9.799798 |
10,443,981 | 6,149,644 | C4B8 | 12 | -83.820278 | 4.903056 |
10,443,982 | 6,149,644 | C4B8 | 12 | -83.61289 | 5.110443 |
10,443,983 | 6,149,644 | C4B8 | 12 | -83.172923 | 5.550411 |
10,443,984 | 6,149,644 | C4B8 | 12 | -83.033579 | 5.689755 |
10,443,985 | 6,149,644 | C4B8 | 12 | -81.776992 | 6.946342 |
10,443,986 | 6,149,644 | C4B8 | 12 | -81.638202 | 7.085132 |
10,443,987 | 6,149,644 | C4B8 | 12 | -78.818518 | 9.904816 |
10,443,988 | 6,149,646 | C4B8 | 12 | -85.653974 | 3.069359 |
10,443,989 | 6,149,646 | C4B8 | 12 | -85.485762 | 3.237572 |
10,443,990 | 6,149,646 | C4B8 | 12 | -85.286411 | 3.436923 |
10,443,991 | 6,149,646 | C4B8 | 12 | -85.136909 | 3.586424 |
10,443,992 | 6,149,646 | C4B8 | 12 | -84.982436 | 3.740898 |
10,443,993 | 6,149,646 | C4B8 | 12 | -84.815793 | 3.90754 |
10,443,994 | 6,149,646 | C4B8 | 12 | -84.689397 | 4.033937 |
10,443,995 | 6,149,646 | C4B8 | 12 | -84.473516 | 4.249818 |
10,443,996 | 6,149,646 | C4B8 | 12 | -84.273057 | 4.450277 |
10,443,997 | 6,149,646 | C4B8 | 12 | -83.853056 | 4.870278 |
10,443,998 | 6,149,646 | C4B8 | 12 | -83.410842 | 5.312492 |
10,443,999 | 6,149,646 | C4B8 | 12 | -83.253328 | 5.470006 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.