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 |
|---|---|---|---|---|---|
11,100 | 3,299,491 | DyNi6 | 7 | -32.563375 | 6.028313 |
11,101 | 3,297,940 | Dy8Ni2 | 10 | -49.629443 | -2.37231 |
11,102 | 3,297,940 | Dy8Ni2 | 10 | -49.599671 | -2.342538 |
11,103 | 3,297,859 | F8I2 | 10 | -31.545885 | 14.124199 |
11,104 | 3,297,859 | F8I2 | 10 | -31.44442 | 14.225664 |
11,105 | 3,297,859 | F8I2 | 10 | -31.141338 | 14.528746 |
11,106 | 3,297,859 | F8I2 | 10 | -31.040249 | 14.629834 |
11,107 | 3,297,859 | F8I2 | 10 | -30.822539 | 14.847545 |
11,108 | 3,297,859 | F8I2 | 10 | -30.544054 | 15.12603 |
11,109 | 3,294,393 | AcPd12 | 13 | -69.62213 | 1.324576 |
11,110 | 3,294,393 | AcPd12 | 13 | -69.591863 | 1.354843 |
11,111 | 3,286,520 | Be17Sc2 | 19 | -79.588307 | -1.654921 |
11,112 | 3,286,520 | Be17Sc2 | 19 | -79.509999 | -1.576613 |
11,113 | 3,300,045 | Au8Pt | 9 | -32.189582 | 0.710152 |
11,114 | 3,300,045 | Au8Pt | 9 | -32.154462 | 0.745272 |
11,115 | 3,296,574 | Dy12Ni4 | 16 | -80.600383 | -4.030415 |
11,116 | 3,296,574 | Dy12Ni4 | 16 | -80.532803 | -3.962834 |
11,117 | 3,296,490 | Ru4Tm12 | 16 | -95.800792 | -6.801683 |
11,118 | 3,296,490 | Ru4Tm12 | 16 | -94.687465 | -5.688356 |
11,119 | 3,296,490 | Ru4Tm12 | 16 | -89.52455 | -0.525441 |
11,120 | 3,288,066 | Au3Pt2 | 5 | -21.778796 | 1.288078 |
11,121 | 3,288,066 | Au3Pt2 | 5 | -21.778558 | 1.288315 |
11,122 | 3,289,179 | Au3Pt13 | 16 | -87.655444 | 8.041709 |
11,123 | 3,289,179 | Au3Pt13 | 16 | -87.421675 | 8.275477 |
11,124 | 3,289,179 | Au3Pt13 | 16 | -87.511161 | 8.185991 |
11,125 | 3,297,184 | Au8Pt2 | 10 | -37.577917 | 1.92457 |
11,126 | 3,297,184 | Au8Pt2 | 10 | -37.475849 | 2.026638 |
11,127 | 3,297,184 | Au8Pt2 | 10 | -37.441625 | 2.060862 |
11,128 | 3,299,340 | AuPt5 | 6 | -33.421867 | 2.879019 |
11,129 | 3,299,340 | AuPt5 | 6 | -33.407731 | 2.893155 |
11,130 | 3,298,882 | Au5Pt | 6 | -22.210514 | 0.827852 |
11,131 | 3,298,882 | Au5Pt | 6 | -22.1378 | 0.900566 |
11,132 | 3,298,882 | Au5Pt | 6 | -22.035961 | 1.002405 |
11,133 | 3,298,882 | Au5Pt | 6 | -22.143865 | 0.894501 |
11,134 | 3,298,882 | Au5Pt | 6 | -22.105745 | 0.932621 |
11,135 | 3,297,814 | Br8U2 | 10 | -48.818968 | -2.139292 |
11,136 | 3,297,814 | Br8U2 | 10 | -48.795677 | -2.116 |
11,137 | 3,285,632 | Br13U2 | 15 | -58.984692 | 1.950781 |
11,138 | 3,285,632 | Br13U2 | 15 | -58.979469 | 1.956004 |
11,139 | 3,289,730 | Cs3Te4 | 7 | -19.681699 | 0.182028 |
11,140 | 3,289,730 | Cs3Te4 | 7 | -19.681188 | 0.182539 |
11,141 | 3,295,648 | Ag2Zr4 | 6 | -40.101253 | -0.135095 |
11,142 | 3,295,648 | Ag2Zr4 | 6 | -40.096381 | -0.130224 |
11,143 | 3,292,056 | Cs5Te4 | 9 | -24.718222 | -2.072872 |
11,144 | 3,292,056 | Cs5Te4 | 9 | -24.717528 | -2.072178 |
11,145 | 3,293,675 | Cs2Te2 | 4 | -11.349434 | -0.722165 |
11,146 | 3,293,675 | Cs2Te2 | 4 | -11.349438 | -0.722169 |
11,147 | 3,287,447 | Cs2Te3 | 5 | -14.121924 | 0.428168 |
11,148 | 3,287,447 | Cs2Te3 | 5 | -14.121924 | 0.428168 |
11,149 | 3,297,299 | Cs2Te8 | 10 | -29.894301 | 4.269906 |
11,150 | 3,297,299 | Cs2Te8 | 10 | -29.892553 | 4.271654 |
11,151 | 3,288,491 | Au4La10 | 14 | -68.772903 | -4.127867 |
11,152 | 3,288,491 | Au4La10 | 14 | -68.75586 | -4.110824 |
11,153 | 3,297,975 | Au2La8 | 10 | -48.47636 | -0.704878 |
11,154 | 3,297,975 | Au2La8 | 10 | -48.467207 | -0.695725 |
11,155 | 3,292,506 | Pt4Rh5 | 9 | -61.074406 | 3.941051 |
11,156 | 3,292,506 | Pt4Rh5 | 9 | -61.073354 | 3.942103 |
11,157 | 3,293,145 | Pt7Rh5 | 12 | -79.242363 | 5.581352 |
11,158 | 3,293,145 | Pt7Rh5 | 12 | -79.100346 | 5.723369 |
11,159 | 3,293,145 | Pt7Rh5 | 12 | -78.953558 | 5.870157 |
11,160 | 3,293,145 | Pt7Rh5 | 12 | -78.819127 | 6.004588 |
11,161 | 3,293,145 | Pt7Rh5 | 12 | -78.698545 | 6.12517 |
11,162 | 3,293,145 | Pt7Rh5 | 12 | -78.546108 | 6.277607 |
11,163 | 3,293,145 | Pt7Rh5 | 12 | -78.680057 | 6.143658 |
11,164 | 3,293,145 | Pt7Rh5 | 12 | -78.417945 | 6.40577 |
11,165 | 3,293,145 | Pt7Rh5 | 12 | -78.296903 | 6.526812 |
11,166 | 3,293,145 | Pt7Rh5 | 12 | -78.260997 | 6.562718 |
11,167 | 3,293,146 | Pt5Rh7 | 12 | -79.112803 | 7.947186 |
11,168 | 3,293,146 | Pt5Rh7 | 12 | -79.112719 | 7.94727 |
11,169 | 3,291,607 | Pt3Rh8 | 11 | -69.910377 | 11.664995 |
11,170 | 3,291,607 | Pt3Rh8 | 11 | -69.902287 | 11.673086 |
11,171 | 3,297,188 | PtRh4 | 5 | -35.477622 | 2.008688 |
11,172 | 3,297,188 | PtRh4 | 5 | -35.475148 | 2.011162 |
11,173 | 3,286,940 | Pt3Rh2 | 5 | -32.930223 | 2.319814 |
11,174 | 3,286,940 | Pt3Rh2 | 5 | -32.930467 | 2.319569 |
11,175 | 3,297,821 | Pt8Rh2 | 10 | -61.113841 | 7.149959 |
11,176 | 3,297,821 | Pt8Rh2 | 10 | -61.114599 | 7.149201 |
11,177 | 3,291,989 | Nd5Si4 | 9 | -51.624982 | -3.987466 |
11,178 | 3,291,989 | Nd5Si4 | 9 | -51.624881 | -3.987366 |
11,179 | 3,288,264 | Ag4Y10 | 14 | -78.012493 | -4.723132 |
11,180 | 3,288,264 | Ag4Y10 | 14 | -77.995391 | -4.70603 |
11,181 | 3,291,077 | Au6Tl14 | 20 | -53.299436 | -3.826105 |
11,182 | 3,291,077 | Au6Tl14 | 20 | -53.196536 | -3.723205 |
11,183 | 3,286,747 | Au2Tl3 | 5 | -13.718092 | -0.768719 |
11,184 | 3,286,747 | Au2Tl3 | 5 | -13.658079 | -0.708706 |
11,185 | 3,288,477 | Au4Tl10 | 14 | -37.116306 | -2.71739 |
11,186 | 3,288,477 | Au4Tl10 | 14 | -37.035363 | -2.636447 |
11,187 | 3,289,527 | Au3Tl4 | 7 | -19.464548 | -1.103011 |
11,188 | 3,289,527 | Au3Tl4 | 7 | -19.443366 | -1.081828 |
11,189 | 3,299,239 | Au2Tl10 | 12 | -30.151692 | -2.327022 |
11,190 | 3,299,239 | Au2Tl10 | 12 | -30.084824 | -2.260154 |
11,191 | 3,292,677 | N4Pr5 | 9 | -59.118938 | 1.000534 |
11,192 | 3,292,677 | N4Pr5 | 9 | -59.068684 | 1.050788 |
11,193 | 3,286,503 | Ac2Zn17 | 19 | -34.188861 | -3.213536 |
11,194 | 3,286,503 | Ac2Zn17 | 19 | -34.188449 | -3.213125 |
11,195 | 3,293,777 | Ga2Te2 | 4 | -12.886973 | 1.556057 |
11,196 | 3,293,777 | Ga2Te2 | 4 | -12.882528 | 1.560501 |
11,197 | 3,287,891 | Ga4Te6 | 10 | -32.998683 | 3.733022 |
11,198 | 3,287,891 | Ga4Te6 | 10 | -32.995601 | 3.736104 |
11,199 | 3,294,421 | Ni12Pr | 13 | -75.230158 | -2.301904 |
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