ASE database

ID Formula slab_E distance Maximum stress atom_E Volume
1 Au54H -165.064 0.464 0.012 -1.117 2654.442
2 Au54He -165.064 3.597 0.011 0.002 2654.442
3 Au54Li -165.064 1.620 0.011 -0.299 2654.442
4 Au54Be -165.064 0.461 0.010 -0.039 2654.442
5 Au54B -165.064 0.094 0.011 -0.349 2654.442
6 Au54C -165.064 0.055 0.011 -1.248 2654.442
7 Au54N -165.064 0.748 0.011 -3.124 2654.442
8 Au54O -165.064 0.843 0.011 -1.533 2654.442
9 Au54F -165.064 1.259 0.011 -0.424 2654.442
10 Au54Ne -165.064 3.424 0.011 -0.013 2654.442
11 Au54Na -165.064 2.111 0.011 -0.225 2654.442
12 Au54Mg -165.064 1.410 0.010 -0.004 2654.442
13 AlAu54 -165.064 0.934 0.010 -0.295 2654.442
14 Au54Si -165.064 0.866 0.010 -0.830 2654.442
15 Au54P -165.064 1.150 0.011 -1.888 2654.442
16 Au54S -165.064 1.251 0.011 -0.945 2654.442
17 Au54Cl -165.064 1.721 0.011 -0.243 2654.442
18 Au54Ar -165.064 3.651 0.011 -0.025 2654.442
19 Au54H -165.064 0.885 0.011 -1.117 2654.442
20 Au54He -165.064 3.568 0.011 0.002 2654.442
21 Au54Li -165.064 1.954 0.012 -0.299 2654.442
22 Au54Be -165.064 1.213 0.012 -0.039 2654.442
23 Au54B -165.064 0.861 0.011 -0.349 2654.442
24 Au54C -165.064 1.062 0.011 -1.248 2654.442
25 Au54N -165.064 1.146 0.011 -3.124 2654.442