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 |
|---|---|---|---|---|---|
2,300 | 3,298,480 | Pa4Zn16 | 20 | -56.944205 | 5.831878 |
2,301 | 3,298,480 | Pa4Zn16 | 20 | -56.911321 | 5.864762 |
2,302 | 3,299,143 | PaZn5 | 6 | -15.674283 | 1.317389 |
2,303 | 3,299,143 | PaZn5 | 6 | -15.667745 | 1.323927 |
2,304 | 3,299,093 | Cl10Pa2 | 12 | -57.131092 | -2.8786 |
2,305 | 3,299,093 | Cl10Pa2 | 12 | -57.06035 | -2.807858 |
2,306 | 3,291,034 | La6S10 | 16 | -103.076634 | -17.577189 |
2,307 | 3,291,034 | La6S10 | 16 | -103.0724 | -17.572956 |
2,308 | 3,285,802 | H2V13 | 15 | -125.966655 | -4.747472 |
2,309 | 3,285,802 | H2V13 | 15 | -125.614223 | -4.39504 |
2,310 | 3,285,802 | H2V13 | 15 | -125.608442 | -4.389259 |
2,311 | 3,289,435 | S4Ti3 | 7 | -50.138106 | -3.221647 |
2,312 | 3,289,435 | S4Ti3 | 7 | -50.130594 | -3.214136 |
2,313 | 3,286,712 | Ho12Ni8 | 20 | -107.35639 | -8.474264 |
2,314 | 3,286,712 | Ho12Ni8 | 20 | -107.17437 | -8.292245 |
2,315 | 3,292,583 | N5Pu4 | 9 | -98.963225 | 4.824297 |
2,316 | 3,292,583 | N5Pu4 | 9 | -98.908312 | 4.87921 |
2,317 | 3,286,440 | Cu17Th2 | 19 | -86.294099 | -7.25263 |
2,318 | 3,286,440 | Cu17Th2 | 19 | -86.05344 | -7.011971 |
2,319 | 3,286,440 | Cu17Th2 | 19 | -85.744133 | -6.702663 |
2,320 | 3,294,299 | Cu12Th | 13 | -57.522666 | -4.893877 |
2,321 | 3,294,299 | Cu12Th | 13 | -57.353348 | -4.724559 |
2,322 | 3,294,299 | Cu12Th | 13 | -57.128311 | -4.499521 |
2,323 | 3,285,609 | Ge2Rh13 | 15 | -106.38598 | 4.100306 |
2,324 | 3,285,609 | Ge2Rh13 | 15 | -106.20962 | 4.276666 |
2,325 | 3,285,609 | Ge2Rh13 | 15 | -105.957348 | 4.528938 |
2,326 | 3,285,609 | Ge2Rh13 | 15 | -105.763855 | 4.722431 |
2,327 | 3,285,609 | Ge2Rh13 | 15 | -105.58745 | 4.898836 |
2,328 | 3,285,609 | Ge2Rh13 | 15 | -105.418128 | 5.068158 |
2,329 | 3,285,609 | Ge2Rh13 | 15 | -105.234407 | 5.251879 |
2,330 | 3,285,609 | Ge2Rh13 | 15 | -105.226243 | 5.260043 |
2,331 | 3,289,685 | S4Tm3 | 7 | -43.975061 | -9.040626 |
2,332 | 3,289,685 | S4Tm3 | 7 | -43.974049 | -9.039614 |
2,333 | 3,285,930 | Au2Nd13 | 15 | -70.834491 | -2.755881 |
2,334 | 3,285,930 | Au2Nd13 | 15 | -70.829209 | -2.750599 |
2,335 | 3,299,729 | AsNi7 | 8 | -45.74105 | -0.81212 |
2,336 | 3,299,729 | AsNi7 | 8 | -45.548081 | -0.619151 |
2,337 | 3,299,729 | AsNi7 | 8 | -45.521799 | -0.59287 |
2,338 | 3,292,148 | Pd4Sm5 | 9 | -50.811794 | -5.286408 |
2,339 | 3,292,148 | Pd4Sm5 | 9 | -50.796616 | -5.271229 |
2,340 | 3,285,931 | Au2Pr13 | 15 | -70.97615 | -3.080578 |
2,341 | 3,285,931 | Au2Pr13 | 15 | -70.970264 | -3.074692 |
2,342 | 3,298,083 | Co2Pm8 | 10 | -51.182459 | 0.483878 |
2,343 | 3,298,083 | Co2Pm8 | 10 | -51.18026 | 0.486077 |
2,344 | 3,286,119 | Co2Hf13 | 15 | -144.214561 | 1.039817 |
2,345 | 3,286,119 | Co2Hf13 | 15 | -144.208206 | 1.046173 |
2,346 | 3,286,577 | Co17Cr2 | 19 | -135.996446 | -3.885049 |
2,347 | 3,286,577 | Co17Cr2 | 19 | -136.307928 | -4.19653 |
2,348 | 3,286,577 | Co17Cr2 | 19 | -136.097427 | -3.986029 |
2,349 | 3,286,577 | Co17Cr2 | 19 | -135.899962 | -3.788564 |
2,350 | 3,286,577 | Co17Cr2 | 19 | -134.992816 | -2.881418 |
2,351 | 3,286,577 | Co17Cr2 | 19 | -134.705652 | -2.594255 |
2,352 | 3,299,528 | Co6Sc | 7 | -40.771574 | 6.156995 |
2,353 | 3,299,528 | Co6Sc | 7 | -40.680387 | 6.248182 |
2,354 | 3,299,528 | Co6Sc | 7 | -40.443212 | 6.485357 |
2,355 | 3,294,996 | CoPm2 | 3 | -16.705036 | -0.423107 |
2,356 | 3,294,996 | CoPm2 | 3 | -16.703383 | -0.421454 |
2,357 | 3,297,118 | Co9Pm3 | 12 | -79.127766 | -4.2247 |
2,358 | 3,297,118 | Co9Pm3 | 12 | -79.000467 | -4.0974 |
2,359 | 3,297,118 | Co9Pm3 | 12 | -78.911288 | -4.008221 |
2,360 | 3,292,171 | Co4Pm5 | 9 | -52.818427 | -2.01757 |
2,361 | 3,292,171 | Co4Pm5 | 9 | -52.811233 | -2.010376 |
2,362 | 3,286,557 | Co17Mo2 | 19 | -138.842746 | -4.846122 |
2,363 | 3,286,557 | Co17Mo2 | 19 | -138.146347 | -4.149723 |
2,364 | 3,286,557 | Co17Mo2 | 19 | -138.275151 | -4.278527 |
2,365 | 3,286,513 | Ca2Li17 | 19 | -36.146567 | 8.907848 |
2,366 | 3,286,513 | Ca2Li17 | 19 | -35.871597 | 9.182818 |
2,367 | 3,296,669 | Co4Hf12 | 16 | -150.919625 | -2.34179 |
2,368 | 3,296,669 | Co4Hf12 | 16 | -150.917156 | -2.339321 |
2,369 | 3,289,055 | Co14Hf4 | 18 | -143.643122 | -8.861773 |
2,370 | 3,289,055 | Co14Hf4 | 18 | -143.373462 | -8.592113 |
2,371 | 3,289,055 | Co14Hf4 | 18 | -143.629425 | -8.848076 |
2,372 | 3,289,055 | Co14Hf4 | 18 | -143.254554 | -8.473205 |
2,373 | 3,288,055 | Co6Hf4 | 10 | -85.837304 | -4.901473 |
2,374 | 3,288,055 | Co6Hf4 | 10 | -85.814551 | -4.878721 |
2,375 | 3,296,922 | Co6Dy2 | 8 | -52.430458 | -3.074171 |
2,376 | 3,296,922 | Co6Dy2 | 8 | -52.325523 | -2.969236 |
2,377 | 3,296,922 | Co6Dy2 | 8 | -52.288988 | -2.9327 |
2,378 | 3,285,942 | Co13Ir2 | 15 | -109.68023 | -4.250529 |
2,379 | 3,285,942 | Co13Ir2 | 15 | -108.920255 | -3.490554 |
2,380 | 3,285,942 | Co13Ir2 | 15 | -109.16241 | -3.732708 |
2,381 | 3,287,152 | Co12Ir8 | 20 | -154.87107 | -2.379857 |
2,382 | 3,287,152 | Co12Ir8 | 20 | -154.670712 | -2.179499 |
2,383 | 3,287,152 | Co12Ir8 | 20 | -154.433965 | -1.942751 |
2,384 | 3,287,152 | Co12Ir8 | 20 | -154.231406 | -1.740193 |
2,385 | 3,287,152 | Co12Ir8 | 20 | -154.011062 | -1.519848 |
2,386 | 3,287,152 | Co12Ir8 | 20 | -153.810735 | -1.319521 |
2,387 | 3,287,152 | Co12Ir8 | 20 | -153.547913 | -1.056699 |
2,388 | 3,287,152 | Co12Ir8 | 20 | -153.173416 | -0.682202 |
2,389 | 3,287,152 | Co12Ir8 | 20 | -152.867962 | -0.376748 |
2,390 | 3,287,152 | Co12Ir8 | 20 | -152.646698 | -0.155484 |
2,391 | 3,287,152 | Co12Ir8 | 20 | -152.442476 | 0.048738 |
2,392 | 3,287,152 | Co12Ir8 | 20 | -152.145132 | 0.346081 |
2,393 | 3,287,152 | Co12Ir8 | 20 | -151.844461 | 0.646753 |
2,394 | 3,287,152 | Co12Ir8 | 20 | -151.48813 | 1.003083 |
2,395 | 3,287,152 | Co12Ir8 | 20 | -151.036328 | 1.454885 |
2,396 | 3,287,152 | Co12Ir8 | 20 | -150.803604 | 1.68761 |
2,397 | 3,287,152 | Co12Ir8 | 20 | -150.366012 | 2.125201 |
2,398 | 3,287,152 | Co12Ir8 | 20 | -150.756268 | 1.734946 |
2,399 | 3,287,152 | Co12Ir8 | 20 | -147.536585 | 4.954629 |
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