ASE database

ID Formula atom_E Energy ads_E str_E
26 Au54O -1.533 -169.953 -3.356 -169.953
27 Au54F -0.424 -168.878 -3.390 -168.878
28 Au54Ne -0.013 -165.084 -0.008 -165.084
29 Au54Na -0.225 -167.438 -2.150 -167.438
30 Au54Mg -0.004 -166.817 -1.750 -166.817
31 AlAu54 -0.295 -168.662 -3.303 -168.662
32 Au54Si -0.830 -169.936 -4.042 -169.936
33 Au54P -1.888 -170.059 -3.107 -170.059
34 Au54S -0.945 -169.436 -3.427 -169.436
35 Au54Cl -0.243 -168.055 -2.748 -168.055
36 Au54Ar -0.025 -165.093 -0.004 -165.093
37 Au54H -1.117 -168.134 -1.953 -168.134
38 Au54He 0.002 -165.067 -0.005 -165.067
39 Au54Li -0.299 -167.627 -2.265 -167.627
40 Au54Be -0.039 -166.735 -1.631 -166.735
41 Au54B -0.349 -168.412 -2.999 -168.412
42 Au54C -1.248 -169.007 -2.695 -169.007
43 Au54N -3.124 -168.955 -0.767 -168.955
44 Au54O -1.533 -168.874 -2.278 -168.874
45 Au54F -0.424 -168.510 -3.022 -168.510
46 Au54Ne -0.013 -165.081 -0.004 -165.081
47 Au54Na -0.225 -167.240 -1.952 -167.240
48 Au54Mg -0.004 -166.341 -1.273 -166.341
49 AlAu54 -0.295 -168.104 -2.745 -168.104
50 Au54Si -0.830 -168.778 -2.884 -168.778