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 |
|---|---|---|---|---|---|
3,100 | 3,285,847 | Ni13Re2 | 15 | -97.292332 | -0.479241 |
3,101 | 3,285,847 | Ni13Re2 | 15 | -97.084582 | -0.271491 |
3,102 | 3,285,847 | Ni13Re2 | 15 | -96.902417 | -0.089326 |
3,103 | 3,285,847 | Ni13Re2 | 15 | -96.689133 | 0.123958 |
3,104 | 3,285,847 | Ni13Re2 | 15 | -96.458243 | 0.354848 |
3,105 | 3,285,847 | Ni13Re2 | 15 | -96.182996 | 0.630095 |
3,106 | 3,285,847 | Ni13Re2 | 15 | -96.002622 | 0.810468 |
3,107 | 3,285,847 | Ni13Re2 | 15 | -95.9121 | 0.90099 |
3,108 | 3,286,824 | Rh6Tb9 | 15 | -95.834084 | -8.760727 |
3,109 | 3,286,824 | Rh6Tb9 | 15 | -95.827928 | -8.75457 |
3,110 | 3,286,766 | Ir6Pm9 | 15 | -104.812121 | -8.039343 |
3,111 | 3,286,766 | Ir6Pm9 | 15 | -104.801966 | -8.029187 |
3,112 | 3,286,087 | Nd13Rh2 | 15 | -78.879999 | -1.933856 |
3,113 | 3,286,087 | Nd13Rh2 | 15 | -78.878328 | -1.932185 |
3,114 | 3,290,762 | Ca5Mg3 | 8 | -15.300266 | 3.374108 |
3,115 | 3,290,762 | Ca5Mg3 | 8 | -15.299995 | 3.374378 |
3,116 | 3,289,035 | Ca4Mg14 | 18 | -31.192456 | 3.903665 |
3,117 | 3,289,035 | Ca4Mg14 | 18 | -31.134653 | 3.961468 |
3,118 | 3,288,641 | Ca10Mg4 | 14 | -26.712865 | 7.160602 |
3,119 | 3,288,641 | Ca10Mg4 | 14 | -26.692564 | 7.180903 |
3,120 | 3,297,519 | La4Mg | 5 | -21.455082 | 0.881176 |
3,121 | 3,297,519 | La4Mg | 5 | -21.450429 | 0.885829 |
3,122 | 3,288,118 | La3Mg2 | 5 | -18.355695 | 0.568548 |
3,123 | 3,288,118 | La3Mg2 | 5 | -18.348582 | 0.575661 |
3,124 | 3,294,177 | La2O2 | 4 | -30.048861 | -4.55453 |
3,125 | 3,294,177 | La2O2 | 4 | -30.031796 | -4.537465 |
3,126 | 3,291,442 | La14Mg6 | 20 | -77.317569 | 5.203434 |
3,127 | 3,291,442 | La14Mg6 | 20 | -77.293129 | 5.227873 |
3,128 | 3,298,292 | La4O | 5 | -30.324685 | -2.128556 |
3,129 | 3,298,292 | La4O | 5 | -30.319791 | -2.123662 |
3,130 | 3,286,170 | Pu2Zr13 | 15 | -139.042583 | 4.801411 |
3,131 | 3,286,170 | Pu2Zr13 | 15 | -138.879781 | 4.964213 |
3,132 | 3,286,170 | Pu2Zr13 | 15 | -138.666394 | 5.177601 |
3,133 | 3,286,170 | Pu2Zr13 | 15 | -138.51084 | 5.333154 |
3,134 | 3,286,170 | Pu2Zr13 | 15 | -138.24488 | 5.599114 |
3,135 | 3,286,170 | Pu2Zr13 | 15 | -138.05957 | 5.784424 |
3,136 | 3,286,170 | Pu2Zr13 | 15 | -137.89849 | 5.945505 |
3,137 | 3,286,170 | Pu2Zr13 | 15 | -137.618597 | 6.225397 |
3,138 | 3,286,170 | Pu2Zr13 | 15 | -137.441546 | 6.402448 |
3,139 | 3,286,170 | Pu2Zr13 | 15 | -137.028498 | 6.815496 |
3,140 | 3,286,170 | Pu2Zr13 | 15 | -136.735293 | 7.108701 |
3,141 | 3,286,170 | Pu2Zr13 | 15 | -136.318283 | 7.525711 |
3,142 | 3,286,170 | Pu2Zr13 | 15 | -135.999584 | 7.84441 |
3,143 | 3,286,170 | Pu2Zr13 | 15 | -135.735766 | 8.108228 |
3,144 | 3,286,170 | Pu2Zr13 | 15 | -135.267285 | 8.576709 |
3,145 | 3,286,170 | Pu2Zr13 | 15 | -135.537185 | 8.306809 |
3,146 | 3,286,170 | Pu2Zr13 | 15 | -135.194302 | 8.649692 |
3,147 | 3,286,170 | Pu2Zr13 | 15 | -134.913479 | 8.930515 |
3,148 | 3,286,170 | Pu2Zr13 | 15 | -134.625886 | 9.218108 |
3,149 | 3,286,170 | Pu2Zr13 | 15 | -134.447079 | 9.396915 |
3,150 | 3,286,170 | Pu2Zr13 | 15 | -134.254237 | 9.589757 |
3,151 | 3,286,170 | Pu2Zr13 | 15 | -134.09997 | 9.744024 |
3,152 | 3,286,170 | Pu2Zr13 | 15 | -134.065828 | 9.778166 |
3,153 | 3,287,259 | H12Ta8 | 20 | -132.065279 | 0.193409 |
3,154 | 3,287,259 | H12Ta8 | 20 | -132.04187 | 0.216818 |
3,155 | 3,294,849 | Ca8Mg4 | 12 | -21.487134 | 7.001752 |
3,156 | 3,294,849 | Ca8Mg4 | 12 | -21.467229 | 7.021657 |
3,157 | 3,285,913 | Au2Li13 | 15 | -34.393714 | 2.516287 |
3,158 | 3,285,913 | Au2Li13 | 15 | -34.212607 | 2.697394 |
3,159 | 3,290,690 | Li3Sn5 | 8 | -27.228685 | 0.198122 |
3,160 | 3,290,690 | Li3Sn5 | 8 | -27.222025 | 0.204781 |
3,161 | 3,293,932 | O2Sn2 | 4 | -21.710276 | 1.655245 |
3,162 | 3,293,932 | O2Sn2 | 4 | -21.764303 | 1.601218 |
3,163 | 3,293,932 | O2Sn2 | 4 | -21.674094 | 1.691427 |
3,164 | 3,293,932 | O2Sn2 | 4 | -21.433347 | 1.932173 |
3,165 | 3,293,932 | O2Sn2 | 4 | -18.862072 | 4.503449 |
3,166 | 3,293,932 | O2Sn2 | 4 | -20.528373 | 2.837148 |
3,167 | 3,293,932 | O2Sn2 | 4 | -20.5164 | 2.849121 |
3,168 | 3,293,932 | O2Sn2 | 4 | -15.006849 | 8.358672 |
3,169 | 3,289,938 | Li6Sn8 | 14 | -46.436007 | 0.247107 |
3,170 | 3,289,938 | Li6Sn8 | 14 | -46.417079 | 0.266035 |
3,171 | 3,292,515 | Li4Sn5 | 9 | -29.729591 | 0.030735 |
3,172 | 3,292,515 | Li4Sn5 | 9 | -29.714422 | 0.045904 |
3,173 | 3,290,552 | Li10Sn6 | 16 | -48.771284 | -0.924591 |
3,174 | 3,290,552 | Li10Sn6 | 16 | -48.70863 | -0.861936 |
3,175 | 3,297,251 | Li8Sn2 | 10 | -25.881936 | 0.95672 |
3,176 | 3,297,251 | Li8Sn2 | 10 | -25.788595 | 1.050061 |
3,177 | 3,299,002 | Li2Sn10 | 12 | -44.530679 | 0.988855 |
3,178 | 3,299,002 | Li2Sn10 | 12 | -44.532268 | 0.987267 |
3,179 | 3,288,941 | Li14Sn4 | 18 | -44.60968 | 4.400593 |
3,180 | 3,288,941 | Li14Sn4 | 18 | -44.425757 | 4.584516 |
3,181 | 3,297,250 | Li2Sn8 | 10 | -36.485991 | 0.863045 |
3,182 | 3,297,250 | Li2Sn8 | 10 | -36.483337 | 0.865699 |
3,183 | 3,294,717 | Li8Sn4 | 12 | -35.78885 | -0.779694 |
3,184 | 3,294,717 | Li8Sn4 | 12 | -35.733129 | -0.723974 |
3,185 | 3,292,036 | Li5Sn4 | 9 | -28.270967 | -0.262371 |
3,186 | 3,292,036 | Li5Sn4 | 9 | -28.244339 | -0.235743 |
3,187 | 3,291,356 | Li6Sn14 | 20 | -70.106196 | 1.088416 |
3,188 | 3,291,356 | Li6Sn14 | 20 | -70.096427 | 1.098184 |
3,189 | 3,287,308 | Li3Sn2 | 5 | -15.408055 | -0.236997 |
3,190 | 3,287,308 | Li3Sn2 | 5 | -15.403475 | -0.232417 |
3,191 | 3,299,001 | Li10Sn2 | 12 | -30.420091 | 1.085605 |
3,192 | 3,299,001 | Li10Sn2 | 12 | -30.298909 | 1.206787 |
3,193 | 3,288,322 | Li10Sn4 | 14 | -39.567477 | 0.108718 |
3,194 | 3,288,322 | Li10Sn4 | 14 | -39.477285 | 0.198909 |
3,195 | 3,291,648 | Li8Sn3 | 11 | -28.309893 | 2.614012 |
3,196 | 3,291,648 | Li8Sn3 | 11 | -28.21 | 2.713906 |
3,197 | 3,300,592 | NbV8 | 9 | -81.925877 | -1.231933 |
3,198 | 3,300,592 | NbV8 | 9 | -81.926514 | -1.23257 |
3,199 | 3,287,873 | Nb12P8 | 20 | -181.759604 | -12.359458 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.