ASE database

ID Formula str_E slab_E Energy ads_site
26 Au54O -169.953 -165.064 -169.953 1b
27 Au54F -168.878 -165.064 -168.878 1b
28 Au54Ne -165.084 -165.064 -165.084 1b
29 Au54Na -167.438 -165.064 -167.438 1b
30 Au54Mg -166.817 -165.064 -166.817 1b
31 AlAu54 -168.662 -165.064 -168.662 1b
32 Au54Si -169.936 -165.064 -169.936 1b
33 Au54P -170.059 -165.064 -170.059 1b
34 Au54S -169.436 -165.064 -169.436 1b
35 Au54Cl -168.055 -165.064 -168.055 1b
36 Au54Ar -165.093 -165.064 -165.093 1b
37 Au54H -168.134 -165.064 -168.134 0t
38 Au54He -165.067 -165.064 -165.067 0t
39 Au54Li -167.627 -165.064 -167.627 0t
40 Au54Be -166.735 -165.064 -166.735 0t
41 Au54B -168.412 -165.064 -168.412 0t
42 Au54C -169.007 -165.064 -169.007 0t
43 Au54N -168.955 -165.064 -168.955 0t
44 Au54O -168.874 -165.064 -168.874 0t
45 Au54F -168.510 -165.064 -168.510 0t
46 Au54Ne -165.081 -165.064 -165.081 0t
47 Au54Na -167.240 -165.064 -167.240 0t
48 Au54Mg -166.341 -165.064 -166.341 0t
49 AlAu54 -168.104 -165.064 -168.104 0t
50 Au54Si -168.778 -165.064 -168.778 0t