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 |
|---|---|---|---|---|---|
10,800 | 3,289,004 | Au14In4 | 18 | -57.196145 | -0.212259 |
10,801 | 3,288,114 | Au2In3 | 5 | -15.286528 | -0.489156 |
10,802 | 3,288,114 | Au2In3 | 5 | -15.282307 | -0.484935 |
10,803 | 3,295,916 | Os2Re4 | 6 | -72.530525 | -5.777765 |
10,804 | 3,295,916 | Os2Re4 | 6 | -72.530381 | -5.777622 |
10,805 | 3,286,504 | Pm2Zn17 | 19 | -36.003032 | -4.391721 |
10,806 | 3,286,504 | Pm2Zn17 | 19 | -36.002916 | -4.391605 |
10,807 | 3,288,197 | O10Ta4 | 14 | -135.230324 | -12.348424 |
10,808 | 3,288,197 | O10Ta4 | 14 | -134.965537 | -12.083638 |
10,809 | 3,288,197 | O10Ta4 | 14 | -135.11883 | -12.23693 |
10,810 | 3,296,709 | Cs2Se6 | 8 | -25.836376 | 5.823597 |
10,811 | 3,296,709 | Cs2Se6 | 8 | -25.817052 | 5.842922 |
10,812 | 3,289,607 | Bi4Zr3 | 7 | -42.555225 | -0.239341 |
10,813 | 3,289,607 | Bi4Zr3 | 7 | -42.553948 | -0.238064 |
10,814 | 3,290,434 | Hg6Pb10 | 16 | -38.052014 | -2.041207 |
10,815 | 3,290,434 | Hg6Pb10 | 16 | -37.932367 | -1.92156 |
10,816 | 3,287,429 | Sc4Zr6 | 10 | -73.873237 | 5.281809 |
10,817 | 3,287,429 | Sc4Zr6 | 10 | -73.861904 | 5.293142 |
10,818 | 3,296,165 | Ni2Pd6 | 8 | -41.350555 | 3.262523 |
10,819 | 3,296,165 | Ni2Pd6 | 8 | -41.30061 | 3.312468 |
10,820 | 3,300,116 | AgPd8 | 9 | -44.304342 | 2.345682 |
10,821 | 3,300,116 | AgPd8 | 9 | -44.304682 | 2.345342 |
10,822 | 3,297,551 | Hg2In8 | 10 | -22.137326 | -0.042074 |
10,823 | 3,297,551 | Hg2In8 | 10 | -22.137718 | -0.042466 |
10,824 | 3,296,330 | Re2Zr6 | 8 | -76.635299 | -0.740383 |
10,825 | 3,296,330 | Re2Zr6 | 8 | -76.633777 | -0.738861 |
10,826 | 3,297,266 | Sn2Zr8 | 10 | -74.939071 | 3.867858 |
10,827 | 3,297,266 | Sn2Zr8 | 10 | -74.937878 | 3.869052 |
10,828 | 3,293,437 | Ag6Pd7 | 13 | -52.886728 | -0.157606 |
10,829 | 3,293,437 | Ag6Pd7 | 13 | -52.845746 | -0.116625 |
10,830 | 3,292,606 | Ag5Te4 | 9 | -26.712855 | 0.598292 |
10,831 | 3,292,606 | Ag5Te4 | 9 | -26.689142 | 0.622005 |
10,832 | 3,290,358 | Ag5Au3 | 8 | -24.391432 | -2.910209 |
10,833 | 3,290,358 | Ag5Au3 | 8 | -24.709466 | -3.228244 |
10,834 | 3,290,358 | Ag5Au3 | 8 | -24.198646 | -2.717423 |
10,835 | 3,290,358 | Ag5Au3 | 8 | -23.924029 | -2.442807 |
10,836 | 3,290,358 | Ag5Au3 | 8 | -20.196127 | 1.285096 |
10,837 | 3,290,358 | Ag5Au3 | 8 | -22.184477 | -0.703255 |
10,838 | 3,290,358 | Ag5Au3 | 8 | -21.642701 | -0.161479 |
10,839 | 3,290,358 | Ag5Au3 | 8 | -13.812876 | 7.668346 |
10,840 | 3,290,358 | Ag5Au3 | 8 | -10.13641 | 11.344812 |
10,841 | 3,292,114 | Ho5Ir4 | 9 | -65.435537 | -7.320747 |
10,842 | 3,292,114 | Ho5Ir4 | 9 | -65.428956 | -7.314166 |
10,843 | 3,291,428 | Mg14Pd6 | 20 | -62.169131 | -4.597634 |
10,844 | 3,291,428 | Mg14Pd6 | 20 | -62.115493 | -4.543996 |
10,845 | 3,290,221 | Mg6Pd8 | 14 | -60.603345 | -5.851453 |
10,846 | 3,290,221 | Mg6Pd8 | 14 | -60.593195 | -5.841303 |
10,847 | 3,300,482 | PtV8 | 9 | -79.265524 | -2.009439 |
10,848 | 3,300,482 | PtV8 | 9 | -79.833537 | -2.577452 |
10,849 | 3,300,482 | PtV8 | 9 | -79.685091 | -2.429006 |
10,850 | 3,300,482 | PtV8 | 9 | -79.462605 | -2.20652 |
10,851 | 3,300,482 | PtV8 | 9 | -68.708617 | 8.547468 |
10,852 | 3,300,482 | PtV8 | 9 | -79.02841 | -1.772325 |
10,853 | 3,300,482 | PtV8 | 9 | -60.209687 | 17.046398 |
10,854 | 3,300,482 | PtV8 | 9 | -55.61545 | 21.640635 |
10,855 | 3,300,482 | PtV8 | 9 | -45.011821 | 32.244264 |
10,856 | 3,297,480 | Mg2Pd8 | 10 | -46.13711 | 1.664223 |
10,857 | 3,297,480 | Mg2Pd8 | 10 | -46.136715 | 1.664618 |
10,858 | 3,293,228 | Ni5Pd7 | 12 | -64.797329 | 2.409312 |
10,859 | 3,293,228 | Ni5Pd7 | 12 | -64.675103 | 2.531539 |
10,860 | 3,293,228 | Ni5Pd7 | 12 | -64.665628 | 2.541014 |
10,861 | 3,287,139 | Ni3Pd2 | 5 | -27.3748 | 0.759521 |
10,862 | 3,287,139 | Ni3Pd2 | 5 | -27.374981 | 0.759339 |
10,863 | 3,292,897 | Ni5Pd6 | 11 | -58.759891 | 2.905994 |
10,864 | 3,292,897 | Ni5Pd6 | 11 | -58.759621 | 2.906264 |
10,865 | 3,290,127 | Ni3Pd4 | 7 | -37.835333 | 1.3805 |
10,866 | 3,290,127 | Ni3Pd4 | 7 | -37.713159 | 1.502675 |
10,867 | 3,290,127 | Ni3Pd4 | 7 | -37.72286 | 1.492974 |
10,868 | 3,286,968 | Ni4Pd6 | 10 | -51.783903 | 4.197713 |
10,869 | 3,286,968 | Ni4Pd6 | 10 | -51.659421 | 4.322195 |
10,870 | 3,286,968 | Ni4Pd6 | 10 | -51.665145 | 4.316471 |
10,871 | 3,295,743 | Ni2Pd | 3 | -16.636823 | 0.272472 |
10,872 | 3,295,743 | Ni2Pd | 3 | -16.564842 | 0.344453 |
10,873 | 3,295,743 | Ni2Pd | 3 | -16.573289 | 0.336006 |
10,874 | 3,293,679 | Ni2Pd2 | 4 | -21.711436 | 0.738616 |
10,875 | 3,293,679 | Ni2Pd2 | 4 | -21.646446 | 0.803605 |
10,876 | 3,293,679 | Ni2Pd2 | 4 | -21.659012 | 0.791039 |
10,877 | 3,294,400 | CsIn12 | 13 | -32.618979 | 1.664338 |
10,878 | 3,294,400 | CsIn12 | 13 | -32.621053 | 1.662264 |
10,879 | 3,288,124 | Cs4In6 | 10 | -20.161165 | 1.848334 |
10,880 | 3,288,124 | Cs4In6 | 10 | -20.146987 | 1.862512 |
10,881 | 3,300,223 | NbW8 | 9 | -113.895444 | -10.575685 |
10,882 | 3,300,223 | NbW8 | 9 | -114.27439 | -10.954632 |
10,883 | 3,300,223 | NbW8 | 9 | -114.177717 | -10.857959 |
10,884 | 3,300,223 | NbW8 | 9 | -112.189371 | -8.869613 |
10,885 | 3,300,223 | NbW8 | 9 | -105.516206 | -2.196448 |
10,886 | 3,300,223 | NbW8 | 9 | -111.458836 | -8.139078 |
10,887 | 3,300,223 | NbW8 | 9 | -111.363812 | -8.044054 |
10,888 | 3,300,223 | NbW8 | 9 | -109.910645 | -6.590886 |
10,889 | 3,300,223 | NbW8 | 9 | -36.269665 | 67.050093 |
10,890 | 3,300,223 | NbW8 | 9 | -107.053355 | -3.733597 |
10,891 | 3,300,223 | NbW8 | 9 | -105.484889 | -2.165131 |
10,892 | 3,300,223 | NbW8 | 9 | -66.748622 | 36.571136 |
10,893 | 3,300,223 | NbW8 | 9 | -48.589583 | 54.730175 |
10,894 | 3,292,854 | Pr5S6 | 11 | -71.050486 | -14.70445 |
10,895 | 3,292,854 | Pr5S6 | 11 | -71.04905 | -14.703014 |
10,896 | 3,287,114 | Pr8S12 | 20 | -128.913205 | -25.655184 |
10,897 | 3,287,114 | Pr8S12 | 20 | -128.910723 | -25.652702 |
10,898 | 3,291,037 | Pr6S10 | 16 | -99.850147 | -16.946479 |
10,899 | 3,291,037 | Pr6S10 | 16 | -99.847554 | -16.943886 |
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