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 |
|---|---|---|---|---|---|
6,200 | 3,297,010 | F6Ho2 | 8 | -53.339459 | -13.703124 |
6,201 | 3,297,010 | F6Ho2 | 8 | -53.256715 | -13.620381 |
6,202 | 3,297,010 | F6Ho2 | 8 | -53.149351 | -13.513017 |
6,203 | 3,297,010 | F6Ho2 | 8 | -53.045595 | -13.409261 |
6,204 | 3,289,196 | Ho13Y3 | 16 | -78.544572 | -1.487891 |
6,205 | 3,289,196 | Ho13Y3 | 16 | -78.54266 | -1.485979 |
6,206 | 3,293,170 | Ho7Y5 | 12 | -61.934018 | 1.217372 |
6,207 | 3,293,170 | Ho7Y5 | 12 | -61.930138 | 1.221252 |
6,208 | 3,293,430 | Ho7Y6 | 13 | -67.737449 | 1.813289 |
6,209 | 3,293,430 | Ho7Y6 | 13 | -67.730084 | 1.820653 |
6,210 | 3,293,169 | Ho5Y7 | 12 | -65.738324 | 1.310432 |
6,211 | 3,293,169 | Ho5Y7 | 12 | -65.734199 | 1.314558 |
6,212 | 3,289,195 | Ho3Y13 | 16 | -97.317838 | -0.774324 |
6,213 | 3,289,195 | Ho3Y13 | 16 | -97.311883 | -0.768369 |
6,214 | 3,298,597 | Ho10Y2 | 12 | -58.410535 | -1.105195 |
6,215 | 3,298,597 | Ho10Y2 | 12 | -58.409025 | -1.103685 |
6,216 | 3,294,486 | HoY2 | 3 | -17.486779 | -0.237419 |
6,217 | 3,294,486 | HoY2 | 3 | -17.485959 | -0.236599 |
6,218 | 3,297,219 | Ho2Y8 | 10 | -60.297328 | -0.201217 |
6,219 | 3,297,219 | Ho2Y8 | 10 | -60.293035 | -0.196924 |
6,220 | 3,288,292 | Ho4Y10 | 14 | -82.895017 | -1.098882 |
6,221 | 3,288,292 | Ho4Y10 | 14 | -82.89103 | -1.094895 |
6,222 | 3,297,220 | Ho8Y2 | 10 | -48.497939 | -0.093928 |
6,223 | 3,297,220 | Ho8Y2 | 10 | -48.496461 | -0.09245 |
6,224 | 3,296,021 | Ho3Y | 4 | -20.099976 | -0.348635 |
6,225 | 3,296,021 | Ho3Y | 4 | -20.099381 | -0.34804 |
6,226 | 3,294,485 | Ho2Y | 3 | -15.60558 | -0.304903 |
6,227 | 3,294,485 | Ho2Y | 3 | -15.605021 | -0.304345 |
6,228 | 3,294,471 | Nd4Y2 | 6 | -31.171635 | 0.551481 |
6,229 | 3,294,471 | Nd4Y2 | 6 | -31.170434 | 0.552681 |
6,230 | 3,291,340 | Ho14Y6 | 20 | -98.7058 | 1.999588 |
6,231 | 3,291,340 | Ho14Y6 | 20 | -98.699207 | 2.006182 |
6,232 | 3,300,075 | HoY8 | 9 | -56.026133 | -0.380686 |
6,233 | 3,300,075 | HoY8 | 9 | -56.022276 | -0.376829 |
6,234 | 3,290,349 | Ho5Y3 | 8 | -42.246051 | -0.794686 |
6,235 | 3,290,349 | Ho5Y3 | 8 | -42.244414 | -0.793049 |
6,236 | 3,291,327 | Nd14Y6 | 20 | -102.555377 | 2.076179 |
6,237 | 3,291,327 | Nd14Y6 | 20 | -102.552522 | 2.079034 |
6,238 | 3,286,649 | Nd4Y6 | 10 | -57.710588 | -0.390082 |
6,239 | 3,286,649 | Nd4Y6 | 10 | -57.70725 | -0.386743 |
6,240 | 3,289,811 | Nd4Y3 | 7 | -37.56109 | 0.561374 |
6,241 | 3,289,811 | Nd4Y3 | 7 | -37.559392 | 0.563071 |
6,242 | 3,290,475 | Ho3Nd5 | 8 | -37.401485 | -0.393967 |
6,243 | 3,290,475 | Ho3Nd5 | 8 | -37.398311 | -0.390792 |
6,244 | 3,293,369 | Ho7Nd5 | 12 | -53.685848 | 1.124328 |
6,245 | 3,293,369 | Ho7Nd5 | 12 | -53.680593 | 1.129583 |
6,246 | 3,294,622 | Ho2Nd4 | 6 | -28.058937 | -0.233188 |
6,247 | 3,294,622 | Ho2Nd4 | 6 | -28.056762 | -0.231013 |
6,248 | 3,294,621 | Ho4Nd2 | 6 | -27.790341 | -0.525473 |
6,249 | 3,294,621 | Ho4Nd2 | 6 | -27.788016 | -0.523148 |
6,250 | 3,291,871 | Ho3Nd8 | 11 | -46.840525 | 4.360308 |
6,251 | 3,291,871 | Ho3Nd8 | 11 | -46.835003 | 4.36583 |
6,252 | 3,292,207 | Ho4Nd5 | 9 | -41.986621 | -0.528439 |
6,253 | 3,292,207 | Ho4Nd5 | 9 | -41.984096 | -0.525913 |
6,254 | 3,291,528 | Ho14Nd6 | 20 | -89.05153 | 1.644402 |
6,255 | 3,291,528 | Ho14Nd6 | 20 | -89.040903 | 1.655029 |
6,256 | 3,289,135 | Ho7Nd2 | 9 | -41.151904 | -0.535043 |
6,257 | 3,289,135 | Ho7Nd2 | 9 | -41.147241 | -0.53038 |
6,258 | 3,297,644 | HoNd4 | 5 | -23.565506 | -0.190422 |
6,259 | 3,297,644 | HoNd4 | 5 | -23.563224 | -0.18814 |
6,260 | 3,293,066 | Ho6Nd5 | 11 | -49.785538 | 0.573973 |
6,261 | 3,293,066 | Ho6Nd5 | 11 | -49.781181 | 0.57833 |
6,262 | 3,291,527 | Ho6Nd14 | 20 | -91.041779 | 1.897677 |
6,263 | 3,291,527 | Ho6Nd14 | 20 | -90.838836 | 2.10062 |
6,264 | 3,291,527 | Ho6Nd14 | 20 | -90.81429 | 2.125166 |
6,265 | 3,292,753 | Nd6Y5 | 11 | -59.570576 | 0.812793 |
6,266 | 3,292,753 | Nd6Y5 | 11 | -59.568321 | 0.815048 |
6,267 | 3,299,658 | NdY7 | 8 | -49.808549 | -0.28201 |
6,268 | 3,299,658 | NdY7 | 8 | -49.803896 | -0.277357 |
6,269 | 3,291,326 | Nd6Y14 | 20 | -115.784919 | 2.192579 |
6,270 | 3,291,326 | Nd6Y14 | 20 | -115.784597 | 2.192901 |
6,271 | 3,292,754 | Nd5Y6 | 11 | -61.120086 | 0.931525 |
6,272 | 3,292,754 | Nd5Y6 | 11 | -61.117505 | 0.934107 |
6,273 | 3,286,650 | Nd6Y4 | 10 | -52.429769 | 1.554252 |
6,274 | 3,286,650 | Nd6Y4 | 10 | -52.427591 | 1.55643 |
6,275 | 3,285,446 | Nd13Y2 | 15 | -66.382799 | 7.920261 |
6,276 | 3,285,446 | Nd13Y2 | 15 | -66.380767 | 7.922293 |
6,277 | 3,298,585 | NdY5 | 6 | -36.925957 | -0.198113 |
6,278 | 3,298,585 | NdY5 | 6 | -36.923457 | -0.195613 |
6,279 | 3,293,155 | Nd5Y7 | 12 | -66.948834 | 1.502125 |
6,280 | 3,293,155 | Nd5Y7 | 12 | -66.948816 | 1.502143 |
6,281 | 3,292,011 | Nd5Y4 | 9 | -49.541171 | -0.288255 |
6,282 | 3,292,011 | Nd5Y4 | 9 | -49.538834 | -0.285918 |
6,283 | 3,292,010 | Nd4Y5 | 9 | -51.220088 | -0.29893 |
6,284 | 3,292,010 | Nd4Y5 | 9 | -51.217695 | -0.296537 |
6,285 | 3,297,205 | Nd2Y8 | 10 | -60.842377 | -0.185385 |
6,286 | 3,297,205 | Nd2Y8 | 10 | -60.838044 | -0.181052 |
6,287 | 3,293,508 | Nd2Y2 | 4 | -22.035713 | 0.225192 |
6,288 | 3,293,508 | Nd2Y2 | 4 | -22.034633 | 0.226272 |
6,289 | 3,289,082 | Nd7Y2 | 9 | -45.950755 | -0.034324 |
6,290 | 3,289,082 | Nd7Y2 | 9 | -45.950737 | -0.034307 |
6,291 | 3,289,081 | Nd2Y7 | 9 | -54.438529 | -0.180884 |
6,292 | 3,289,081 | Nd2Y7 | 9 | -54.435097 | -0.177452 |
6,293 | 3,285,722 | Nd2Y13 | 15 | -92.902141 | -0.24841 |
6,294 | 3,285,722 | Nd2Y13 | 15 | -92.90233 | -0.248599 |
6,295 | 3,291,694 | Al3Ni8 | 11 | -55.744588 | 2.141645 |
6,296 | 3,291,694 | Al3Ni8 | 11 | -55.70023 | 2.186003 |
6,297 | 3,295,659 | La8Sn4 | 12 | -63.020948 | -5.482713 |
6,298 | 3,295,659 | La8Sn4 | 12 | -63.017463 | -5.479228 |
6,299 | 3,297,333 | Al2Ni8 | 10 | -56.478601 | -2.729729 |
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