ASE database

ID Formula str_E slab_E Energy ads_site
1 Au54H -168.070 -165.064 -168.070 2f
2 Au54He -165.069 -165.064 -165.069 2f
3 Au54Li -168.230 -165.064 -168.230 2f
4 Au54Be -169.147 -165.064 -169.147 2f
5 Au54B -171.055 -165.064 -171.055 2f
6 Au54C -171.207 -165.064 -171.207 2f
7 Au54N -170.577 -165.064 -170.577 2f
8 Au54O -169.926 -165.064 -169.926 2f
9 Au54F -168.695 -165.064 -168.695 2f
10 Au54Ne -165.085 -165.064 -165.085 2f
11 Au54Na -167.652 -165.064 -167.652 2f
12 Au54Mg -167.509 -165.064 -167.509 2f
13 AlAu54 -169.611 -165.064 -169.611 2f
14 Au54Si -170.944 -165.064 -170.944 2f
15 Au54P -171.031 -165.064 -171.031 2f
16 Au54S -169.906 -165.064 -169.906 2f
17 Au54Cl -167.868 -165.064 -167.868 2f
18 Au54Ar -165.095 -165.064 -165.095 2f
19 Au54H -168.428 -165.064 -168.428 1b
20 Au54He -165.069 -165.064 -165.069 1b
21 Au54Li -167.904 -165.064 -167.904 1b
22 Au54Be -167.816 -165.064 -167.816 1b
23 Au54B -169.754 -165.064 -169.754 1b
24 Au54C -170.497 -165.064 -170.497 1b
25 Au54N -170.360 -165.064 -170.360 1b