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 |
|---|---|---|---|---|---|
10,444,000 | 6,149,646 | C4B8 | 12 | -83.014564 | 5.70877 |
10,444,001 | 6,149,646 | C4B8 | 12 | -82.811812 | 5.911522 |
10,444,002 | 6,149,646 | C4B8 | 12 | -82.070616 | 6.652717 |
10,444,003 | 6,149,646 | C4B8 | 12 | -81.864227 | 6.859107 |
10,444,004 | 6,149,646 | C4B8 | 12 | -79.023274 | 9.70006 |
10,444,005 | 6,149,686 | C4B8 | 12 | -83.527464 | 5.19587 |
10,444,006 | 6,149,686 | C4B8 | 12 | -83.403595 | 5.319739 |
10,444,007 | 6,149,686 | C4B8 | 12 | -83.267723 | 5.455611 |
10,444,008 | 6,149,686 | C4B8 | 12 | -83.137886 | 5.585448 |
10,444,009 | 6,149,686 | C4B8 | 12 | -82.677623 | 6.045711 |
10,444,010 | 6,149,686 | C4B8 | 12 | -82.988911 | 5.734422 |
10,444,011 | 6,149,686 | C4B8 | 12 | -82.743675 | 5.979659 |
10,444,012 | 6,149,686 | C4B8 | 12 | -82.364685 | 6.358649 |
10,444,013 | 6,149,686 | C4B8 | 12 | -81.436717 | 7.286617 |
10,444,014 | 6,149,686 | C4B8 | 12 | -78.433115 | 10.290219 |
10,444,015 | 6,149,703 | C4B8 | 12 | -82.997217 | 5.726117 |
10,444,016 | 6,149,703 | C4B8 | 12 | -82.852179 | 5.871155 |
10,444,017 | 6,149,703 | C4B8 | 12 | -82.710805 | 6.012529 |
10,444,018 | 6,149,703 | C4B8 | 12 | -82.5662 | 6.157134 |
10,444,019 | 6,149,703 | C4B8 | 12 | -81.862223 | 6.86111 |
10,444,020 | 6,149,703 | C4B8 | 12 | -78.500012 | 10.223322 |
10,444,021 | 6,149,714 | C4B8 | 12 | -85.957441 | 2.765892 |
10,444,022 | 6,149,714 | C4B8 | 12 | -85.828769 | 2.894564 |
10,444,023 | 6,149,714 | C4B8 | 12 | -85.6657 | 3.057633 |
10,444,024 | 6,149,714 | C4B8 | 12 | -85.365444 | 3.357889 |
10,444,025 | 6,149,714 | C4B8 | 12 | -84.930977 | 3.792357 |
10,444,026 | 6,149,714 | C4B8 | 12 | -84.636891 | 4.086443 |
10,444,027 | 6,149,714 | C4B8 | 12 | -82.926208 | 5.797126 |
10,444,028 | 6,149,714 | C4B8 | 12 | -78.775083 | 9.948251 |
10,444,029 | 6,149,722 | C4B8 | 12 | -83.536092 | 5.187241 |
10,444,030 | 6,149,722 | C4B8 | 12 | -83.414206 | 5.309128 |
10,444,031 | 6,149,722 | C4B8 | 12 | -82.598021 | 6.125312 |
10,444,032 | 6,149,722 | C4B8 | 12 | -78.791621 | 9.931713 |
10,444,033 | 6,149,735 | C4B8 | 12 | -84.220677 | 4.502657 |
10,444,034 | 6,149,735 | C4B8 | 12 | -83.910201 | 4.813133 |
10,444,035 | 6,149,735 | C4B8 | 12 | -83.728195 | 4.995139 |
10,444,036 | 6,149,735 | C4B8 | 12 | -83.303492 | 5.419841 |
10,444,037 | 6,149,735 | C4B8 | 12 | -84.158908 | 4.564425 |
10,444,038 | 6,149,735 | C4B8 | 12 | -84.025494 | 4.697839 |
10,444,039 | 6,149,735 | C4B8 | 12 | -83.889076 | 4.834258 |
10,444,040 | 6,149,735 | C4B8 | 12 | -83.759369 | 4.963965 |
10,444,041 | 6,149,735 | C4B8 | 12 | -83.524877 | 5.198457 |
10,444,042 | 6,149,735 | C4B8 | 12 | -83.389655 | 5.333679 |
10,444,043 | 6,149,735 | C4B8 | 12 | -82.963765 | 5.759569 |
10,444,044 | 6,149,735 | C4B8 | 12 | -82.424812 | 6.298522 |
10,444,045 | 6,149,735 | C4B8 | 12 | -82.212831 | 6.510502 |
10,444,046 | 6,149,735 | C4B8 | 12 | -79.789139 | 8.934194 |
10,444,047 | 6,149,749 | C4B8 | 12 | -84.296548 | 4.426786 |
10,444,048 | 6,149,749 | C4B8 | 12 | -84.175215 | 4.548119 |
10,444,049 | 6,149,749 | C4B8 | 12 | -84.039922 | 4.683411 |
10,444,050 | 6,149,749 | C4B8 | 12 | -83.903483 | 4.81985 |
10,444,051 | 6,149,749 | C4B8 | 12 | -83.707257 | 5.016077 |
10,444,052 | 6,149,749 | C4B8 | 12 | -83.57327 | 5.150063 |
10,444,053 | 6,149,749 | C4B8 | 12 | -83.436769 | 5.286565 |
10,444,054 | 6,149,749 | C4B8 | 12 | -83.316342 | 5.406992 |
10,444,055 | 6,149,749 | C4B8 | 12 | -83.174408 | 5.548926 |
10,444,056 | 6,149,749 | C4B8 | 12 | -83.024627 | 5.698706 |
10,444,057 | 6,149,749 | C4B8 | 12 | -82.724854 | 5.99848 |
10,444,058 | 6,149,749 | C4B8 | 12 | -82.333745 | 6.389589 |
10,444,059 | 6,149,749 | C4B8 | 12 | -82.127044 | 6.59629 |
10,444,060 | 6,149,749 | C4B8 | 12 | -79.403023 | 9.320311 |
10,444,061 | 6,149,751 | C4B8 | 12 | -84.550689 | 4.172644 |
10,444,062 | 6,149,751 | C4B8 | 12 | -84.405524 | 4.31781 |
10,444,063 | 6,149,751 | C4B8 | 12 | -84.231595 | 4.491738 |
10,444,064 | 6,149,751 | C4B8 | 12 | -84.079131 | 4.644203 |
10,444,065 | 6,149,751 | C4B8 | 12 | -83.892896 | 4.830438 |
10,444,066 | 6,149,751 | C4B8 | 12 | -83.712155 | 5.011179 |
10,444,067 | 6,149,751 | C4B8 | 12 | -82.916786 | 5.806547 |
10,444,068 | 6,149,751 | C4B8 | 12 | -82.790925 | 5.932408 |
10,444,069 | 6,149,751 | C4B8 | 12 | -79.758004 | 8.96533 |
10,444,070 | 6,149,752 | C4B8 | 12 | -85.829984 | 2.89335 |
10,444,071 | 6,149,752 | C4B8 | 12 | -85.681299 | 3.042035 |
10,444,072 | 6,149,752 | C4B8 | 12 | -85.479036 | 3.244298 |
10,444,073 | 6,149,752 | C4B8 | 12 | -85.314595 | 3.408738 |
10,444,074 | 6,149,752 | C4B8 | 12 | -84.182764 | 4.540569 |
10,444,075 | 6,149,752 | C4B8 | 12 | -79.851662 | 8.871672 |
10,444,076 | 6,149,758 | C4B8 | 12 | -84.298752 | 4.424582 |
10,444,077 | 6,149,758 | C4B8 | 12 | -84.140113 | 4.583221 |
10,444,078 | 6,149,758 | C4B8 | 12 | -84.008476 | 4.714857 |
10,444,079 | 6,149,758 | C4B8 | 12 | -83.813086 | 4.910247 |
10,444,080 | 6,149,758 | C4B8 | 12 | -83.619867 | 5.103467 |
10,444,081 | 6,149,758 | C4B8 | 12 | -83.436094 | 5.287239 |
10,444,082 | 6,149,758 | C4B8 | 12 | -83.305167 | 5.418167 |
10,444,083 | 6,149,758 | C4B8 | 12 | -83.148347 | 5.574986 |
10,444,084 | 6,149,758 | C4B8 | 12 | -82.761268 | 5.962066 |
10,444,085 | 6,149,758 | C4B8 | 12 | -82.35648 | 6.366854 |
10,444,086 | 6,149,758 | C4B8 | 12 | -82.185897 | 6.537437 |
10,444,087 | 6,149,758 | C4B8 | 12 | -79.473764 | 9.24957 |
10,444,088 | 6,149,795 | C4B8 | 12 | -85.536744 | 3.18659 |
10,444,089 | 6,149,795 | C4B8 | 12 | -85.40341 | 3.319924 |
10,444,090 | 6,149,795 | C4B8 | 12 | -85.260178 | 3.463155 |
10,444,091 | 6,149,795 | C4B8 | 12 | -84.933207 | 3.790126 |
10,444,092 | 6,149,795 | C4B8 | 12 | -84.767361 | 3.955972 |
10,444,093 | 6,149,795 | C4B8 | 12 | -84.635136 | 4.088198 |
10,444,094 | 6,149,795 | C4B8 | 12 | -84.435621 | 4.287712 |
10,444,095 | 6,149,795 | C4B8 | 12 | -84.274064 | 4.449269 |
10,444,096 | 6,149,795 | C4B8 | 12 | -82.729086 | 5.994248 |
10,444,097 | 6,149,795 | C4B8 | 12 | -79.267098 | 9.456236 |
10,444,098 | 6,149,770 | C4B8 | 12 | -85.729507 | 2.993826 |
10,444,099 | 6,149,770 | C4B8 | 12 | -85.591444 | 3.13189 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.