Formula ✕ | ads_site ✕ | slab_E ✕ | Number of atoms ✕ | PBC ✕ |
---|---|---|---|---|
Au54H | 2f | -165.064 | 55 | TTT |
Au54He | 2f | -165.064 | 55 | TTT |
Au54Li | 2f | -165.064 | 55 | TTT |
Au54Be | 2f | -165.064 | 55 | TTT |
Au54B | 2f | -165.064 | 55 | TTT |
Au54C | 2f | -165.064 | 55 | TTT |
Au54N | 2f | -165.064 | 55 | TTT |
Au54O | 2f | -165.064 | 55 | TTT |
Au54F | 2f | -165.064 | 55 | TTT |
Au54Ne | 2f | -165.064 | 55 | TTT |
Au54Na | 2f | -165.064 | 55 | TTT |
Au54Mg | 2f | -165.064 | 55 | TTT |
AlAu54 | 2f | -165.064 | 55 | TTT |
Au54Si | 2f | -165.064 | 55 | TTT |
Au54P | 2f | -165.064 | 55 | TTT |
Au54S | 2f | -165.064 | 55 | TTT |
Au54Cl | 2f | -165.064 | 55 | TTT |
Au54Ar | 2f | -165.064 | 55 | TTT |
Au54H | 1b | -165.064 | 55 | TTT |
Au54He | 1b | -165.064 | 55 | TTT |
Au54Li | 1b | -165.064 | 55 | TTT |
Au54Be | 1b | -165.064 | 55 | TTT |
Au54B | 1b | -165.064 | 55 | TTT |
Au54C | 1b | -165.064 | 55 | TTT |
Au54N | 1b | -165.064 | 55 | TTT |