ASE database

ID Formula atom_E slab_E str_E Username
1 Au54H -1.117 -165.064 -168.070 hecc
2 Au54He 0.002 -165.064 -165.069 hecc
3 Au54Li -0.299 -165.064 -168.230 hecc
4 Au54Be -0.039 -165.064 -169.147 hecc
5 Au54B -0.349 -165.064 -171.055 hecc
6 Au54C -1.248 -165.064 -171.207 hecc
7 Au54N -3.124 -165.064 -170.577 hecc
8 Au54O -1.533 -165.064 -169.926 hecc
9 Au54F -0.424 -165.064 -168.695 hecc
10 Au54Ne -0.013 -165.064 -165.085 hecc
11 Au54Na -0.225 -165.064 -167.652 hecc
12 Au54Mg -0.004 -165.064 -167.509 hecc
13 AlAu54 -0.295 -165.064 -169.611 hecc
14 Au54Si -0.830 -165.064 -170.944 hecc
15 Au54P -1.888 -165.064 -171.031 hecc
16 Au54S -0.945 -165.064 -169.906 hecc
17 Au54Cl -0.243 -165.064 -167.868 hecc
18 Au54Ar -0.025 -165.064 -165.095 hecc
19 Au54H -1.117 -165.064 -168.428 hecc
20 Au54He 0.002 -165.064 -165.069 hecc
21 Au54Li -0.299 -165.064 -167.904 hecc
22 Au54Be -0.039 -165.064 -167.816 hecc
23 Au54B -0.349 -165.064 -169.754 hecc
24 Au54C -1.248 -165.064 -170.497 hecc
25 Au54N -3.124 -165.064 -170.360 hecc