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 |
|---|---|---|---|---|---|
10,300 | 3,298,308 | PdSr4 | 5 | -13.361858 | 1.510099 |
10,301 | 3,286,801 | Pd2Sr3 | 5 | -17.924188 | 0.155726 |
10,302 | 3,286,801 | Pd2Sr3 | 5 | -17.909911 | 0.170002 |
10,303 | 3,289,624 | Nd3Tb4 | 7 | -32.687096 | -0.383549 |
10,304 | 3,289,624 | Nd3Tb4 | 7 | -32.687134 | -0.383587 |
10,305 | 3,299,314 | Nb5Tc | 6 | -61.553008 | -1.585579 |
10,306 | 3,299,314 | Nb5Tc | 6 | -61.55179 | -1.584361 |
10,307 | 3,298,513 | CsPb4 | 5 | -16.282027 | -0.68719 |
10,308 | 3,298,513 | CsPb4 | 5 | -16.273637 | -0.6788 |
10,309 | 3,290,983 | Al6Nd10 | 16 | -74.282587 | -2.147375 |
10,310 | 3,290,983 | Al6Nd10 | 16 | -74.282362 | -2.14715 |
10,311 | 3,295,546 | LaPd2 | 3 | -17.547029 | -1.315862 |
10,312 | 3,295,546 | LaPd2 | 3 | -17.541654 | -1.310486 |
10,313 | 3,294,598 | Er2La4 | 6 | -27.982121 | 1.521152 |
10,314 | 3,294,598 | Er2La4 | 6 | -27.941614 | 1.561659 |
10,315 | 3,285,646 | As2Pt13 | 15 | -88.137945 | 7.975933 |
10,316 | 3,285,646 | As2Pt13 | 15 | -88.109528 | 8.00435 |
10,317 | 3,290,972 | As6Pd10 | 16 | -84.083403 | 2.158442 |
10,318 | 3,290,972 | As6Pd10 | 16 | -84.057893 | 2.183951 |
10,319 | 3,290,716 | Pd5Zn3 | 8 | -33.513165 | -1.916428 |
10,320 | 3,290,716 | Pd5Zn3 | 8 | -33.514182 | -1.917445 |
10,321 | 3,287,277 | Pd6Zn4 | 10 | -38.486002 | -0.050857 |
10,322 | 3,287,277 | Pd6Zn4 | 10 | -38.48731 | -0.052165 |
10,323 | 3,297,364 | Pd2Zn8 | 10 | -22.552459 | -1.089735 |
10,324 | 3,297,364 | Pd2Zn8 | 10 | -22.542535 | -1.079811 |
10,325 | 3,295,133 | Pd2Zn | 3 | -12.23424 | 0.144925 |
10,326 | 3,295,133 | Pd2Zn | 3 | -12.317727 | 0.061437 |
10,327 | 3,295,133 | Pd2Zn | 3 | -12.282312 | 0.096853 |
10,328 | 3,295,133 | Pd2Zn | 3 | -11.811038 | 0.568126 |
10,329 | 3,295,133 | Pd2Zn | 3 | -10.222645 | 2.156519 |
10,330 | 3,295,133 | Pd2Zn | 3 | -10.689106 | 1.690058 |
10,331 | 3,295,133 | Pd2Zn | 3 | -10.394564 | 1.984601 |
10,332 | 3,295,133 | Pd2Zn | 3 | -6.386726 | 5.992439 |
10,333 | 3,295,133 | Pd2Zn | 3 | -5.026486 | 7.352679 |
10,334 | 3,298,369 | CrRh4 | 5 | -39.192118 | 0.536275 |
10,335 | 3,298,369 | CrRh4 | 5 | -39.191835 | 0.536558 |
10,336 | 3,300,203 | ScSm8 | 9 | -43.805702 | 0.118505 |
10,337 | 3,300,203 | ScSm8 | 9 | -43.80338 | 0.120827 |
10,338 | 3,289,327 | Cs3Hg13 | 16 | -9.326581 | -4.069204 |
10,339 | 3,289,327 | Cs3Hg13 | 16 | -9.164273 | -3.906896 |
10,340 | 3,289,327 | Cs3Hg13 | 16 | -8.977044 | -3.719666 |
10,341 | 3,289,327 | Cs3Hg13 | 16 | -8.837084 | -3.579707 |
10,342 | 3,289,782 | Cs3Hg4 | 7 | -5.551911 | -1.045648 |
10,343 | 3,289,782 | Cs3Hg4 | 7 | -5.511337 | -1.005074 |
10,344 | 3,295,311 | Ga8Pd4 | 12 | -50.18069 | -1.628129 |
10,345 | 3,295,311 | Ga8Pd4 | 12 | -50.181245 | -1.628684 |
10,346 | 3,285,871 | Ga13Rh2 | 15 | -56.895537 | 1.429235 |
10,347 | 3,285,871 | Ga13Rh2 | 15 | -56.889558 | 1.435214 |
10,348 | 3,297,307 | Ag8Pd2 | 10 | -31.914186 | -2.240905 |
10,349 | 3,297,307 | Ag8Pd2 | 10 | -31.87295 | -2.19967 |
10,350 | 3,295,027 | GeI2 | 3 | -8.687996 | 1.059443 |
10,351 | 3,295,027 | GeI2 | 3 | -8.687968 | 1.059471 |
10,352 | 3,291,355 | Cd6Tb14 | 20 | -72.064972 | -3.822132 |
10,353 | 3,291,355 | Cd6Tb14 | 20 | -72.052862 | -3.810022 |
10,354 | 3,294,800 | CdTb2 | 3 | -9.887638 | -0.023017 |
10,355 | 3,294,800 | CdTb2 | 3 | -9.885665 | -0.021044 |
10,356 | 3,290,781 | Dy5In3 | 8 | -33.875203 | -3.221705 |
10,357 | 3,290,781 | Dy5In3 | 8 | -33.870464 | -3.216965 |
10,358 | 3,299,849 | InPr7 | 8 | -36.880518 | -1.120299 |
10,359 | 3,299,849 | InPr7 | 8 | -36.879347 | -1.119129 |
10,360 | 3,300,601 | ErMg8 | 9 | -17.488688 | 0.864758 |
10,361 | 3,300,601 | ErMg8 | 9 | -17.627572 | 0.725874 |
10,362 | 3,300,601 | ErMg8 | 9 | -17.423376 | 0.93007 |
10,363 | 3,300,601 | ErMg8 | 9 | -17.111359 | 1.242087 |
10,364 | 3,300,601 | ErMg8 | 9 | -16.446784 | 1.906662 |
10,365 | 3,300,601 | ErMg8 | 9 | -16.355991 | 1.997455 |
10,366 | 3,300,601 | ErMg8 | 9 | -15.84087 | 2.512576 |
10,367 | 3,300,601 | ErMg8 | 9 | -14.895057 | 3.458389 |
10,368 | 3,300,601 | ErMg8 | 9 | -15.649997 | 2.703449 |
10,369 | 3,300,601 | ErMg8 | 9 | -15.553057 | 2.800389 |
10,370 | 3,300,601 | ErMg8 | 9 | -7.25356 | 11.099886 |
10,371 | 3,300,601 | ErMg8 | 9 | -4.15617 | 14.197276 |
10,372 | 3,300,601 | ErMg8 | 9 | -3.518182 | 14.835264 |
10,373 | 3,291,413 | Ta14W6 | 20 | -239.500076 | -5.366947 |
10,374 | 3,291,413 | Ta14W6 | 20 | -239.496199 | -5.363071 |
10,375 | 3,287,431 | Ta2W3 | 5 | -59.67438 | -1.241304 |
10,376 | 3,287,431 | Ta2W3 | 5 | -59.673632 | -1.240557 |
10,377 | 3,291,412 | Ta6W14 | 20 | -242.490883 | -8.892189 |
10,378 | 3,291,412 | Ta6W14 | 20 | -242.488014 | -8.889321 |
10,379 | 3,294,551 | Ta4W2 | 6 | -73.102746 | -2.876168 |
10,380 | 3,294,551 | Ta4W2 | 6 | -73.102497 | -2.87592 |
10,381 | 3,288,553 | Ta10W4 | 14 | -167.959185 | -4.052634 |
10,382 | 3,288,553 | Ta10W4 | 14 | -167.957859 | -4.051308 |
10,383 | 3,290,258 | Ta4W3 | 7 | -86.69501 | -4.808539 |
10,384 | 3,290,258 | Ta4W3 | 7 | -86.693983 | -4.807512 |
10,385 | 3,299,308 | Ta5W | 6 | -72.378498 | -2.085116 |
10,386 | 3,299,308 | Ta5W | 6 | -72.377799 | -2.084418 |
10,387 | 3,290,624 | Ta3W5 | 8 | -98.367108 | -4.887548 |
10,388 | 3,290,624 | Ta3W5 | 8 | -98.366686 | -4.887126 |
10,389 | 3,285,494 | Ir2Li13 | 15 | -39.601153 | 8.665336 |
10,390 | 3,285,494 | Ir2Li13 | 15 | -39.40223 | 8.864259 |
10,391 | 3,299,332 | IrLi5 | 6 | -18.780385 | 1.85258 |
10,392 | 3,299,332 | IrLi5 | 6 | -18.719538 | 1.913428 |
10,393 | 3,292,693 | Ge6Se5 | 11 | -45.539592 | 8.869877 |
10,394 | 3,292,693 | Ge6Se5 | 11 | -45.539214 | 8.870255 |
10,395 | 3,295,886 | Ge2Se4 | 6 | -23.842081 | 5.524878 |
10,396 | 3,295,886 | Ge2Se4 | 6 | -23.841886 | 5.525073 |
10,397 | 3,289,449 | Ag3Cd4 | 7 | -12.508521 | -2.29859 |
10,398 | 3,289,449 | Ag3Cd4 | 7 | -12.501689 | -2.291758 |
10,399 | 3,296,101 | Ag2Cd6 | 8 | -11.202572 | -1.697603 |
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