ASE database

ID Formula slab_E Volume Calculator Energy
1 Au54H -165.064 2654.442 vasp -168.070
2 Au54He -165.064 2654.442 vasp -165.069
3 Au54Li -165.064 2654.442 vasp -168.230
4 Au54Be -165.064 2654.442 vasp -169.147
5 Au54B -165.064 2654.442 vasp -171.055
6 Au54C -165.064 2654.442 vasp -171.207
7 Au54N -165.064 2654.442 vasp -170.577
8 Au54O -165.064 2654.442 vasp -169.926
9 Au54F -165.064 2654.442 vasp -168.695
10 Au54Ne -165.064 2654.442 vasp -165.085
11 Au54Na -165.064 2654.442 vasp -167.652
12 Au54Mg -165.064 2654.442 vasp -167.509
13 AlAu54 -165.064 2654.442 vasp -169.611
14 Au54Si -165.064 2654.442 vasp -170.944
15 Au54P -165.064 2654.442 vasp -171.031
16 Au54S -165.064 2654.442 vasp -169.906
17 Au54Cl -165.064 2654.442 vasp -167.868
18 Au54Ar -165.064 2654.442 vasp -165.095
19 Au54H -165.064 2654.442 vasp -168.428
20 Au54He -165.064 2654.442 vasp -165.069
21 Au54Li -165.064 2654.442 vasp -167.904
22 Au54Be -165.064 2654.442 vasp -167.816
23 Au54B -165.064 2654.442 vasp -169.754
24 Au54C -165.064 2654.442 vasp -170.497
25 Au54N -165.064 2654.442 vasp -170.360