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 |
|---|---|---|---|---|---|
2,100 | 3,299,205 | Ac5In | 6 | -23.562839 | 1.466334 |
2,101 | 3,288,679 | Ac10In4 | 14 | -54.828386 | 0.712045 |
2,102 | 3,288,679 | Ac10In4 | 14 | -54.825733 | 0.714697 |
2,103 | 3,287,454 | Ac2In3 | 5 | -18.141443 | -1.003064 |
2,104 | 3,287,454 | Ac2In3 | 5 | -18.130554 | -0.992175 |
2,105 | 3,290,802 | Ac5Hg3 | 8 | -24.24467 | -1.706167 |
2,106 | 3,290,802 | Ac5Hg3 | 8 | -24.237336 | -1.698833 |
2,107 | 3,289,075 | Ac4Hg14 | 18 | -25.084633 | -6.085728 |
2,108 | 3,289,075 | Ac4Hg14 | 18 | -25.018145 | -6.01924 |
2,109 | 3,290,603 | Ac3Hg5 | 8 | -17.455578 | -3.665413 |
2,110 | 3,290,603 | Ac3Hg5 | 8 | -17.438852 | -3.648688 |
2,111 | 3,296,411 | Ac2Hg6 | 8 | -13.071599 | -3.655604 |
2,112 | 3,296,411 | Ac2Hg6 | 8 | -13.043797 | -3.627801 |
2,113 | 3,287,456 | Ac2Hg3 | 5 | -11.17156 | -2.005936 |
2,114 | 3,287,456 | Ac2Hg3 | 5 | -11.160504 | -1.99488 |
2,115 | 3,290,724 | Ac5Zn3 | 8 | -25.803004 | 0.378081 |
2,116 | 3,290,724 | Ac5Zn3 | 8 | -25.800978 | 0.380107 |
2,117 | 3,297,141 | Ac3Zn | 4 | -14.057933 | 0.612597 |
2,118 | 3,297,141 | Ac3Zn | 4 | -14.057515 | 0.613015 |
2,119 | 3,295,005 | Ac4Hg2 | 6 | -18.311069 | -0.313649 |
2,120 | 3,295,005 | Ac4Hg2 | 6 | -18.249786 | -0.252367 |
2,121 | 3,288,040 | Ac4Ga6 | 10 | -39.600604 | -1.977948 |
2,122 | 3,288,040 | Ac4Ga6 | 10 | -39.598867 | -1.976211 |
2,123 | 3,292,081 | Ac5Ga4 | 9 | -36.637114 | -1.154216 |
2,124 | 3,292,081 | Ac5Ga4 | 9 | -36.636076 | -1.153178 |
2,125 | 3,294,942 | Ac4Ga2 | 6 | -24.113801 | 0.314087 |
2,126 | 3,294,942 | Ac4Ga2 | 6 | -24.090058 | 0.337831 |
2,127 | 3,295,387 | AcI2 | 3 | -11.16988 | -2.022177 |
2,128 | 3,295,387 | AcI2 | 3 | -11.01963 | -1.871928 |
2,129 | 3,295,387 | AcI2 | 3 | -10.977985 | -1.830283 |
2,130 | 3,295,387 | AcI2 | 3 | -9.542534 | -0.394831 |
2,131 | 3,295,387 | AcI2 | 3 | -9.148788 | -0.001086 |
2,132 | 3,295,387 | AcI2 | 3 | -6.917889 | 2.229813 |
2,133 | 3,290,617 | Ac3Sn5 | 8 | -36.803297 | -3.004171 |
2,134 | 3,290,617 | Ac3Sn5 | 8 | -36.801471 | -3.002344 |
2,135 | 3,296,028 | Ac12Sn4 | 16 | -71.33944 | -1.506927 |
2,136 | 3,296,028 | Ac12Sn4 | 16 | -71.33944 | -1.506927 |
2,137 | 3,296,776 | Ac2Sn6 | 8 | -35.95129 | -2.52454 |
2,138 | 3,296,776 | Ac2Sn6 | 8 | -35.947984 | -2.521234 |
2,139 | 3,292,796 | Ac6Sn5 | 11 | -50.931284 | -3.759279 |
2,140 | 3,292,796 | Ac6Sn5 | 11 | -50.799609 | -3.627604 |
2,141 | 3,292,796 | Ac6Sn5 | 11 | -50.681036 | -3.509031 |
2,142 | 3,292,796 | Ac6Sn5 | 11 | -50.554407 | -3.382402 |
2,143 | 3,292,796 | Ac6Sn5 | 11 | -50.438126 | -3.266121 |
2,144 | 3,292,796 | Ac6Sn5 | 11 | -50.269209 | -3.097204 |
2,145 | 3,292,796 | Ac6Sn5 | 11 | -36.697785 | 10.47422 |
2,146 | 3,292,796 | Ac6Sn5 | 11 | -50.235632 | -3.063627 |
2,147 | 3,292,796 | Ac6Sn5 | 11 | -50.008219 | -2.836214 |
2,148 | 3,292,796 | Ac6Sn5 | 11 | -49.913656 | -2.741651 |
2,149 | 3,296,556 | Ac3Ag | 4 | -15.646946 | 0.049903 |
2,150 | 3,296,556 | Ac3Ag | 4 | -15.651182 | 0.045668 |
2,151 | 3,288,408 | Ac10Ag4 | 14 | -53.990501 | -0.118356 |
2,152 | 3,288,408 | Ac10Ag4 | 14 | -53.989474 | -0.117328 |
2,153 | 3,288,176 | Ac10Ge4 | 14 | -65.712389 | -0.906676 |
2,154 | 3,288,176 | Ac10Ge4 | 14 | -65.712219 | -0.906506 |
2,155 | 3,298,311 | AcGe4 | 5 | -23.773825 | 0.913252 |
2,156 | 3,298,311 | AcGe4 | 5 | -23.773552 | 0.913525 |
2,157 | 3,289,432 | Ac4Ge3 | 7 | -34.054913 | -1.05232 |
2,158 | 3,289,432 | Ac4Ge3 | 7 | -34.054934 | -1.052341 |
2,159 | 3,287,762 | Ac6Ru4 | 10 | -62.608466 | 0.761088 |
2,160 | 3,287,762 | Ac6Ru4 | 10 | -62.608465 | 0.761088 |
2,161 | 3,286,390 | Ac2Pt17 | 19 | -119.322277 | 1.839771 |
2,162 | 3,286,390 | Ac2Pt17 | 19 | -119.286827 | 1.875221 |
2,163 | 3,290,673 | Ac5Y3 | 8 | -39.549994 | 1.936181 |
2,164 | 3,290,673 | Ac5Y3 | 8 | -39.548525 | 1.937649 |
2,165 | 3,298,993 | AcY5 | 6 | -36.122737 | 0.331628 |
2,166 | 3,298,993 | AcY5 | 6 | -36.12246 | 0.331905 |
2,167 | 3,297,891 | Ac8Cd2 | 10 | -34.906951 | 2.373067 |
2,168 | 3,297,891 | Ac8Cd2 | 10 | -34.904122 | 2.375896 |
2,169 | 3,290,809 | Ac3Sm5 | 8 | -35.613913 | 1.121326 |
2,170 | 3,290,809 | Ac3Sm5 | 8 | -35.609566 | 1.125672 |
2,171 | 3,299,952 | Ac7Sm | 8 | -33.283527 | 2.592328 |
2,172 | 3,299,952 | Ac7Sm | 8 | -33.280805 | 2.59505 |
2,173 | 3,288,097 | Ac3Sm2 | 5 | -21.539222 | 1.178601 |
2,174 | 3,288,097 | Ac3Sm2 | 5 | -21.537249 | 1.180573 |
2,175 | 3,299,983 | Ac7Pm | 8 | -33.323674 | 2.655329 |
2,176 | 3,299,983 | Ac7Pm | 8 | -33.320905 | 2.658098 |
2,177 | 3,293,630 | Ac2Pm2 | 4 | -17.534236 | 0.932256 |
2,178 | 3,293,630 | Ac2Pm2 | 4 | -17.532335 | 0.934157 |
2,179 | 3,294,654 | Ac2Pm | 3 | -12.874008 | 0.816864 |
2,180 | 3,294,654 | Ac2Pm | 3 | -12.872658 | 0.818214 |
2,181 | 3,290,811 | Ac5Pm3 | 8 | -34.54207 | 2.07292 |
2,182 | 3,290,811 | Ac5Pm3 | 8 | -34.542002 | 2.072988 |
2,183 | 3,287,223 | Ac2La3 | 5 | -22.884283 | 1.479933 |
2,184 | 3,287,223 | Ac2La3 | 5 | -22.884165 | 1.480051 |
2,185 | 3,290,447 | Ac3La5 | 8 | -36.772175 | 2.348976 |
2,186 | 3,290,447 | Ac3La5 | 8 | -36.771861 | 2.34929 |
2,187 | 3,297,789 | Ac4La | 5 | -21.260741 | 1.719418 |
2,188 | 3,297,789 | Ac4La | 5 | -21.260676 | 1.719483 |
2,189 | 3,290,162 | Ac3La4 | 7 | -31.86283 | 2.108667 |
2,190 | 3,290,162 | Ac3La4 | 7 | -31.862415 | 2.109081 |
2,191 | 3,299,984 | Ac7Dy | 8 | -33.118617 | 2.570841 |
2,192 | 3,299,984 | Ac7Dy | 8 | -32.617164 | 3.072294 |
2,193 | 3,299,984 | Ac7Dy | 8 | -30.858947 | 4.830511 |
2,194 | 3,299,984 | Ac7Dy | 8 | -28.19669 | 7.492768 |
2,195 | 3,299,984 | Ac7Dy | 8 | -16.094928 | 19.59453 |
2,196 | 3,299,984 | Ac7Dy | 8 | -9.016594 | 26.672863 |
2,197 | 3,288,749 | Ac2Ca5 | 7 | -17.944085 | 4.432621 |
2,198 | 3,288,749 | Ac2Ca5 | 7 | -17.94278 | 4.433927 |
2,199 | 3,290,440 | Ac5Ca3 | 8 | -26.340393 | 4.02461 |
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