ASE database

ID Formula ads_E slab_E str_E Calculator
1 Au54H -1.889 -165.064 -168.070 vasp
2 Au54He -0.007 -165.064 -165.069 vasp
3 Au54Li -2.868 -165.064 -168.230 vasp
4 Au54Be -4.044 -165.064 -169.147 vasp
5 Au54B -5.643 -165.064 -171.055 vasp
6 Au54C -4.895 -165.064 -171.207 vasp
7 Au54N -2.390 -165.064 -170.577 vasp
8 Au54O -3.329 -165.064 -169.926 vasp
9 Au54F -3.208 -165.064 -168.695 vasp
10 Au54Ne -0.009 -165.064 -165.085 vasp
11 Au54Na -2.363 -165.064 -167.652 vasp
12 Au54Mg -2.441 -165.064 -167.509 vasp
13 AlAu54 -4.253 -165.064 -169.611 vasp
14 Au54Si -5.051 -165.064 -170.944 vasp
15 Au54P -4.079 -165.064 -171.031 vasp
16 Au54S -3.898 -165.064 -169.906 vasp
17 Au54Cl -2.562 -165.064 -167.868 vasp
18 Au54Ar -0.005 -165.064 -165.095 vasp
19 Au54H -2.247 -165.064 -168.428 vasp
20 Au54He -0.007 -165.064 -165.069 vasp
21 Au54Li -2.541 -165.064 -167.904 vasp
22 Au54Be -2.713 -165.064 -167.816 vasp
23 Au54B -4.341 -165.064 -169.754 vasp
24 Au54C -4.185 -165.064 -170.497 vasp
25 Au54N -2.172 -165.064 -170.360 vasp