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 |
|---|---|---|---|---|---|
8,100 | 3,288,590 | P4Pd10 | 14 | -79.877659 | -0.013686 |
8,101 | 3,299,526 | Hg6Na | 7 | -3.801251 | -1.639357 |
8,102 | 3,299,526 | Hg6Na | 7 | -3.814945 | -1.653051 |
8,103 | 3,296,654 | Nd12Rh4 | 16 | -92.442917 | -4.7861 |
8,104 | 3,296,654 | Nd12Rh4 | 16 | -92.439573 | -4.782756 |
8,105 | 3,298,027 | P2Pd8 | 10 | -56.14938 | 0.404876 |
8,106 | 3,298,027 | P2Pd8 | 10 | -56.151568 | 0.402688 |
8,107 | 3,288,243 | Pm10Ru4 | 14 | -88.026538 | -3.646546 |
8,108 | 3,288,243 | Pm10Ru4 | 14 | -88.021113 | -3.64112 |
8,109 | 3,299,906 | La7Pr | 8 | -39.150105 | 1.614501 |
8,110 | 3,299,906 | La7Pr | 8 | -39.150106 | 1.614501 |
8,111 | 3,294,768 | Fe2Rh | 3 | -23.861796 | -0.557595 |
8,112 | 3,294,768 | Fe2Rh | 3 | -23.861796 | -0.557595 |
8,113 | 3,289,318 | Fe13Rh3 | 16 | -131.204648 | -6.750453 |
8,114 | 3,289,318 | Fe13Rh3 | 16 | -131.024369 | -6.570173 |
8,115 | 3,289,318 | Fe13Rh3 | 16 | -130.860118 | -6.405922 |
8,116 | 3,289,318 | Fe13Rh3 | 16 | -129.863452 | -5.409257 |
8,117 | 3,289,318 | Fe13Rh3 | 16 | -130.733298 | -6.279103 |
8,118 | 3,289,318 | Fe13Rh3 | 16 | -130.562576 | -6.108381 |
8,119 | 3,289,318 | Fe13Rh3 | 16 | -130.401195 | -5.946999 |
8,120 | 3,289,318 | Fe13Rh3 | 16 | -130.215662 | -5.761466 |
8,121 | 3,289,318 | Fe13Rh3 | 16 | -130.022978 | -5.568783 |
8,122 | 3,289,318 | Fe13Rh3 | 16 | -130.677997 | -6.223801 |
8,123 | 3,289,318 | Fe13Rh3 | 16 | -130.313925 | -5.85973 |
8,124 | 3,289,318 | Fe13Rh3 | 16 | -129.908438 | -5.454243 |
8,125 | 3,293,719 | RhTc | 2 | -16.608134 | 0.877128 |
8,126 | 3,293,719 | RhTc | 2 | -16.607303 | 0.877959 |
8,127 | 3,286,614 | Ge8Pa12 | 20 | -156.146321 | 10.353569 |
8,128 | 3,286,614 | Ge8Pa12 | 20 | -156.144365 | 10.355525 |
8,129 | 3,285,688 | F13Ni2 | 15 | -39.789324 | 38.171726 |
8,130 | 3,285,688 | F13Ni2 | 15 | -39.572294 | 38.388756 |
8,131 | 3,285,688 | F13Ni2 | 15 | -39.354505 | 38.606544 |
8,132 | 3,285,688 | F13Ni2 | 15 | -38.774376 | 39.186674 |
8,133 | 3,285,688 | F13Ni2 | 15 | -38.612809 | 39.348241 |
8,134 | 3,285,688 | F13Ni2 | 15 | -38.322878 | 39.638171 |
8,135 | 3,285,688 | F13Ni2 | 15 | -38.057203 | 39.903847 |
8,136 | 3,285,688 | F13Ni2 | 15 | -37.211243 | 40.749807 |
8,137 | 3,293,886 | B2W2 | 4 | -39.855493 | -2.555831 |
8,138 | 3,293,886 | B2W2 | 4 | -39.854656 | -2.554995 |
8,139 | 3,288,271 | Sb4Y10 | 14 | -90.237903 | -8.718911 |
8,140 | 3,288,271 | Sb4Y10 | 14 | -90.234506 | -8.715514 |
8,141 | 3,291,647 | Au8Sn3 | 11 | -37.90257 | 0.65016 |
8,142 | 3,291,647 | Au8Sn3 | 11 | -37.831806 | 0.720924 |
8,143 | 3,292,809 | La5Se6 | 11 | -67.590263 | -12.96364 |
8,144 | 3,292,809 | La5Se6 | 11 | -67.587544 | -12.960921 |
8,145 | 3,287,692 | La2Se3 | 5 | -29.216725 | -4.478241 |
8,146 | 3,287,692 | La2Se3 | 5 | -29.216263 | -4.477778 |
8,147 | 3,289,312 | Mo13Tc3 | 16 | -171.412245 | -14.882288 |
8,148 | 3,289,312 | Mo13Tc3 | 16 | -171.406784 | -14.876828 |
8,149 | 3,298,992 | Sn10Y2 | 12 | -56.013149 | -2.361958 |
8,150 | 3,298,992 | Sn10Y2 | 12 | -55.963403 | -2.312211 |
8,151 | 3,292,438 | Pb4Sm5 | 9 | -41.127251 | -3.560865 |
8,152 | 3,292,438 | Pb4Sm5 | 9 | -41.122075 | -3.55569 |
8,153 | 3,285,462 | Cd2Pb13 | 15 | -49.847522 | -2.06543 |
8,154 | 3,285,462 | Cd2Pb13 | 15 | -49.854949 | -2.072857 |
8,155 | 3,292,856 | S6U5 | 11 | -96.366041 | -3.929126 |
8,156 | 3,292,856 | S6U5 | 11 | -96.230747 | -3.793831 |
8,157 | 3,292,856 | S6U5 | 11 | -96.200341 | -3.763426 |
8,158 | 3,289,686 | S8U6 | 14 | -120.185374 | -4.892954 |
8,159 | 3,289,686 | S8U6 | 14 | -120.035034 | -4.742614 |
8,160 | 3,292,663 | S5U4 | 9 | -73.280465 | 1.761097 |
8,161 | 3,292,663 | S5U4 | 9 | -73.140872 | 1.90069 |
8,162 | 3,292,663 | S5U4 | 9 | -72.980227 | 2.061335 |
8,163 | 3,288,730 | Dy10Pb4 | 14 | -64.86311 | -5.798341 |
8,164 | 3,288,730 | Dy10Pb4 | 14 | -64.859148 | -5.79438 |
8,165 | 3,298,231 | F8Os2 | 10 | -49.026971 | 12.870609 |
8,166 | 3,298,231 | F8Os2 | 10 | -48.918105 | 12.979475 |
8,167 | 3,298,231 | F8Os2 | 10 | -48.627849 | 13.269731 |
8,168 | 3,298,231 | F8Os2 | 10 | -48.623884 | 13.273697 |
8,169 | 3,297,197 | Ru2Tc8 | 10 | -96.37597 | 0.050914 |
8,170 | 3,297,197 | Ru2Tc8 | 10 | -96.367466 | 0.059417 |
8,171 | 3,287,405 | Ga3Mo2 | 5 | -31.015978 | -1.545005 |
8,172 | 3,287,405 | Ga3Mo2 | 5 | -31.014427 | -1.543454 |
8,173 | 3,287,869 | Sc8Tl12 | 20 | -81.072425 | -3.21647 |
8,174 | 3,287,869 | Sc8Tl12 | 20 | -80.99482 | -3.138864 |
8,175 | 3,287,345 | Sc3Tl2 | 5 | -24.845369 | -0.961992 |
8,176 | 3,287,345 | Sc3Tl2 | 5 | -24.831124 | -0.947747 |
8,177 | 3,298,006 | Sc8Tl2 | 10 | -56.230962 | 0.374569 |
8,178 | 3,298,006 | Sc8Tl2 | 10 | -56.213603 | 0.391927 |
8,179 | 3,299,408 | In12Sr2 | 14 | -38.817276 | -1.25917 |
8,180 | 3,299,408 | In12Sr2 | 14 | -38.795394 | -1.237288 |
8,181 | 3,297,181 | Ga2Pt8 | 10 | -56.009536 | 3.409869 |
8,182 | 3,297,181 | Ga2Pt8 | 10 | -56.009811 | 3.409594 |
8,183 | 3,292,028 | Cd4Rb5 | 9 | -8.715488 | 1.461487 |
8,184 | 3,292,028 | Cd4Rb5 | 9 | -8.667451 | 1.509523 |
8,185 | 3,294,116 | Cd2Rb2 | 4 | -3.976159 | 0.418432 |
8,186 | 3,294,116 | Cd2Rb2 | 4 | -3.951727 | 0.442864 |
8,187 | 3,289,717 | Cd4Rb3 | 7 | -6.82339 | 0.578002 |
8,188 | 3,289,717 | Cd4Rb3 | 7 | -6.771532 | 0.62986 |
8,189 | 3,297,051 | CdRb3 | 4 | -3.729324 | 1.243554 |
8,190 | 3,297,051 | CdRb3 | 4 | -3.714721 | 1.258158 |
8,191 | 3,295,436 | Cd2Rb4 | 6 | -5.739843 | 1.430331 |
8,192 | 3,295,436 | Cd2Rb4 | 6 | -5.70377 | 1.466404 |
8,193 | 3,297,796 | F4Ge | 5 | -20.537775 | 5.009591 |
8,194 | 3,297,796 | F4Ge | 5 | -20.483083 | 5.064284 |
8,195 | 3,297,796 | F4Ge | 5 | -20.313412 | 5.233954 |
8,196 | 3,297,796 | F4Ge | 5 | -20.261972 | 5.285395 |
8,197 | 3,297,796 | F4Ge | 5 | -20.164389 | 5.382978 |
8,198 | 3,297,796 | F4Ge | 5 | -20.112814 | 5.434552 |
8,199 | 3,297,796 | F4Ge | 5 | -20.018247 | 5.529119 |
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