ASE database

ID Formula Charge distance ads_site Maximum stress ads_E str_E
26 Au54O 0.000 1.207 1b 0.011 -3.356 -169.953
27 Au54F 0.000 1.450 1b 0.011 -3.390 -168.878
28 Au54Ne 0.000 3.533 1b 0.011 -0.008 -165.084
29 Au54Na 0.000 2.311 1b 0.011 -2.150 -167.438
30 Au54Mg 0.000 1.912 1b 0.012 -1.750 -166.817
31 AlAu54 0.000 1.789 1b 0.012 -3.303 -168.662
32 Au54Si 0.000 1.628 1b 0.012 -4.042 -169.936
33 Au54P 0.000 1.558 1b 0.011 -3.107 -170.059
34 Au54S 0.000 1.610 1b 0.011 -3.427 -169.436
35 Au54Cl 0.000 1.850 1b 0.011 -2.748 -168.055
36 Au54Ar 0.000 3.651 1b 0.011 -0.004 -165.093
37 Au54H 0.000 1.595 0t 0.011 -1.953 -168.134
38 Au54He 0.000 3.705 0t 0.011 -0.005 -165.067
39 Au54Li 0.000 2.190 0t 0.011 -2.265 -167.627
40 Au54Be 0.000 2.075 0t 0.011 -1.631 -166.735
41 Au54B 0.000 1.936 0t 0.011 -2.999 -168.412
42 Au54C 0.000 1.843 0t 0.011 -2.695 -169.007
43 Au54N 0.000 1.846 0t 0.011 -0.767 -168.955
44 Au54O 0.000 1.899 0t 0.010 -2.278 -168.874
45 Au54F 0.000 2.054 0t 0.010 -3.022 -168.510
46 Au54Ne 0.000 3.612 0t 0.011 -0.004 -165.081
47 Au54Na 0.000 2.484 0t 0.011 -1.952 -167.240
48 Au54Mg 0.000 2.361 0t 0.011 -1.273 -166.341
49 AlAu54 0.000 2.346 0t 0.011 -2.745 -168.104
50 Au54Si 0.000 2.049 0t 0.011 -2.884 -168.778