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 |
|---|---|---|---|---|---|
7,300 | 3,291,964 | Ge4V5 | 9 | -66.208621 | -1.820838 |
7,301 | 3,291,964 | Ge4V5 | 9 | -66.074426 | -1.686643 |
7,302 | 3,291,964 | Ge4V5 | 9 | -65.849229 | -1.461446 |
7,303 | 3,291,964 | Ge4V5 | 9 | -65.741991 | -1.354207 |
7,304 | 3,291,964 | Ge4V5 | 9 | -65.574182 | -1.186398 |
7,305 | 3,291,964 | Ge4V5 | 9 | -65.478597 | -1.090813 |
7,306 | 3,291,964 | Ge4V5 | 9 | -65.384762 | -0.996979 |
7,307 | 3,291,964 | Ge4V5 | 9 | -65.290578 | -0.902795 |
7,308 | 3,291,964 | Ge4V5 | 9 | -65.196615 | -0.808832 |
7,309 | 3,291,964 | Ge4V5 | 9 | -64.994483 | -0.606699 |
7,310 | 3,291,964 | Ge4V5 | 9 | -65.139376 | -0.751593 |
7,311 | 3,291,964 | Ge4V5 | 9 | -65.04446 | -0.656677 |
7,312 | 3,291,964 | Ge4V5 | 9 | -64.938368 | -0.550585 |
7,313 | 3,291,964 | Ge4V5 | 9 | -64.622785 | -0.235001 |
7,314 | 3,291,964 | Ge4V5 | 9 | -63.647005 | 0.740779 |
7,315 | 3,291,964 | Ge4V5 | 9 | -38.202833 | 26.18495 |
7,316 | 3,291,964 | Ge4V5 | 9 | -61.432815 | 2.954968 |
7,317 | 3,291,964 | Ge4V5 | 9 | -61.413191 | 2.974592 |
7,318 | 3,291,964 | Ge4V5 | 9 | -50.175669 | 14.212115 |
7,319 | 3,297,162 | Ge2V8 | 10 | -79.651072 | 1.116986 |
7,320 | 3,297,162 | Ge2V8 | 10 | -79.64559 | 1.122467 |
7,321 | 3,285,610 | Ge2V13 | 15 | -123.352451 | 1.57394 |
7,322 | 3,285,610 | Ge2V13 | 15 | -123.018018 | 1.908372 |
7,323 | 3,285,610 | Ge2V13 | 15 | -122.834919 | 2.091472 |
7,324 | 3,285,610 | Ge2V13 | 15 | -122.444448 | 2.481942 |
7,325 | 3,285,610 | Ge2V13 | 15 | -122.175126 | 2.751264 |
7,326 | 3,285,610 | Ge2V13 | 15 | -121.852267 | 3.074124 |
7,327 | 3,285,610 | Ge2V13 | 15 | -121.471606 | 3.454784 |
7,328 | 3,285,610 | Ge2V13 | 15 | -121.215686 | 3.710704 |
7,329 | 3,285,610 | Ge2V13 | 15 | -120.996528 | 3.929863 |
7,330 | 3,285,610 | Ge2V13 | 15 | -120.748028 | 4.178362 |
7,331 | 3,285,610 | Ge2V13 | 15 | -120.594515 | 4.331875 |
7,332 | 3,285,610 | Ge2V13 | 15 | -120.539224 | 4.387167 |
7,333 | 3,292,700 | Ge6V5 | 11 | -73.759031 | 0.743478 |
7,334 | 3,292,700 | Ge6V5 | 11 | -73.756514 | 0.745995 |
7,335 | 3,292,271 | Ge5V4 | 9 | -58.902443 | 1.711037 |
7,336 | 3,292,271 | Ge5V4 | 9 | -58.901868 | 1.711612 |
7,337 | 3,287,034 | Ge8V12 | 20 | -150.881614 | -4.442714 |
7,338 | 3,287,034 | Ge8V12 | 20 | -150.875473 | -4.436573 |
7,339 | 3,300,458 | GeV8 | 9 | -77.659723 | -1.949028 |
7,340 | 3,300,458 | GeV8 | 9 | -77.659749 | -1.949054 |
7,341 | 3,287,397 | Ge3V2 | 5 | -32.028489 | 0.806932 |
7,342 | 3,287,397 | Ge3V2 | 5 | -32.027085 | 0.808336 |
7,343 | 3,295,766 | F4Rb2 | 6 | -20.514462 | 2.751124 |
7,344 | 3,295,766 | F4Rb2 | 6 | -20.453721 | 2.811865 |
7,345 | 3,295,766 | F4Rb2 | 6 | -20.282112 | 2.983474 |
7,346 | 3,295,766 | F4Rb2 | 6 | -20.218257 | 3.047329 |
7,347 | 3,295,766 | F4Rb2 | 6 | -19.94844 | 3.317146 |
7,348 | 3,292,592 | F4Rb5 | 9 | -32.580594 | -5.151634 |
7,349 | 3,292,592 | F4Rb5 | 9 | -32.451228 | -5.022268 |
7,350 | 3,292,592 | F4Rb5 | 9 | -32.191867 | -4.762908 |
7,351 | 3,298,315 | F16Rb4 | 20 | -56.893694 | 30.617485 |
7,352 | 3,298,315 | F16Rb4 | 20 | -56.688609 | 30.82257 |
7,353 | 3,298,315 | F16Rb4 | 20 | -56.485612 | 31.025567 |
7,354 | 3,298,315 | F16Rb4 | 20 | -55.901194 | 31.609985 |
7,355 | 3,298,315 | F16Rb4 | 20 | -55.534967 | 31.976212 |
7,356 | 3,298,315 | F16Rb4 | 20 | -54.341259 | 33.16992 |
7,357 | 3,288,756 | Al4Tb10 | 14 | -64.059427 | -2.234406 |
7,358 | 3,288,756 | Al4Tb10 | 14 | -64.059427 | -2.234405 |
7,359 | 3,289,797 | Al4Tb3 | 7 | -31.860422 | -1.728307 |
7,360 | 3,289,797 | Al4Tb3 | 7 | -31.860323 | -1.728207 |
7,361 | 3,291,496 | Al6Tb14 | 20 | -90.312937 | -2.102963 |
7,362 | 3,291,496 | Al6Tb14 | 20 | -90.312929 | -2.102955 |
7,363 | 3,290,088 | Al6Tb8 | 14 | -63.751733 | -2.707107 |
7,364 | 3,290,088 | Al6Tb8 | 14 | -63.751733 | -2.707107 |
7,365 | 3,294,281 | B12Rb | 13 | -76.717141 | 8.5499 |
7,366 | 3,294,281 | B12Rb | 13 | -76.712441 | 8.5546 |
7,367 | 3,299,170 | Hf5Mg | 6 | -50.858727 | 1.568527 |
7,368 | 3,299,170 | Hf5Mg | 6 | -50.855739 | 1.571515 |
7,369 | 3,293,832 | Hf2Mg2 | 4 | -22.974901 | 0.776224 |
7,370 | 3,293,832 | Hf2Mg2 | 4 | -22.968339 | 0.782787 |
7,371 | 3,287,316 | Ag6Mg4 | 10 | -24.049074 | -3.154689 |
7,372 | 3,287,316 | Ag6Mg4 | 10 | -24.039296 | -3.144912 |
7,373 | 3,291,684 | Ag8Mg3 | 11 | -25.738114 | -1.933427 |
7,374 | 3,291,684 | Ag8Mg3 | 11 | -25.731123 | -1.926437 |
7,375 | 3,296,164 | Ag2Mg6 | 8 | -16.270628 | -1.196847 |
7,376 | 3,296,164 | Ag2Mg6 | 8 | -16.232854 | -1.159073 |
7,377 | 3,292,555 | Ag5Mg4 | 9 | -22.142123 | -3.57171 |
7,378 | 3,292,555 | Ag5Mg4 | 9 | -22.131065 | -3.560651 |
7,379 | 3,289,508 | Ag6Mg8 | 14 | -32.758836 | -4.913892 |
7,380 | 3,289,508 | Ag6Mg8 | 14 | -32.730795 | -4.885852 |
7,381 | 3,292,063 | Ag4Mg5 | 9 | -20.932189 | -2.948106 |
7,382 | 3,292,063 | Ag4Mg5 | 9 | -20.870703 | -2.88662 |
7,383 | 3,285,476 | Ag13Mg2 | 15 | -37.534558 | -3.847657 |
7,384 | 3,285,476 | Ag13Mg2 | 15 | -37.536732 | -3.849832 |
7,385 | 3,288,398 | Ag10Mg4 | 14 | -36.986126 | -6.795858 |
7,386 | 3,288,398 | Ag10Mg4 | 14 | -36.936919 | -6.746651 |
7,387 | 3,289,231 | Ag13Mg3 | 16 | -43.397404 | -7.972863 |
7,388 | 3,289,231 | Ag13Mg3 | 16 | -43.396509 | -7.971969 |
7,389 | 3,287,822 | Al4Te6 | 10 | -36.366019 | 3.720361 |
7,390 | 3,287,822 | Al4Te6 | 10 | -36.365955 | 3.720425 |
7,391 | 3,295,215 | Sb2Te4 | 6 | -20.45711 | 3.99694 |
7,392 | 3,295,215 | Sb2Te4 | 6 | -20.456641 | 3.997408 |
7,393 | 3,288,735 | Cl10Pr4 | 14 | -66.933238 | -14.819477 |
7,394 | 3,288,735 | Cl10Pr4 | 14 | -66.91191 | -14.798149 |
7,395 | 3,293,915 | Pr2Se2 | 4 | -22.970721 | -3.910553 |
7,396 | 3,293,915 | Pr2Se2 | 4 | -22.969711 | -3.909544 |
7,397 | 3,295,182 | RbSe2 | 3 | -9.864244 | 1.149664 |
7,398 | 3,295,182 | RbSe2 | 3 | -9.861863 | 1.152045 |
7,399 | 3,293,663 | Rb2Se2 | 4 | -12.072147 | 0.329552 |
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