ASE database

ID Formula Charge atom_E distance plane_index Maximum stress ads_site
26 Au54O 0.000 -1.533 1.207 100 0.011 1b
27 Au54F 0.000 -0.424 1.450 100 0.011 1b
28 Au54Ne 0.000 -0.013 3.533 100 0.011 1b
29 Au54Na 0.000 -0.225 2.311 100 0.011 1b
30 Au54Mg 0.000 -0.004 1.912 100 0.012 1b
31 AlAu54 0.000 -0.295 1.789 100 0.012 1b
32 Au54Si 0.000 -0.830 1.628 100 0.012 1b
33 Au54P 0.000 -1.888 1.558 100 0.011 1b
34 Au54S 0.000 -0.945 1.610 100 0.011 1b
35 Au54Cl 0.000 -0.243 1.850 100 0.011 1b
36 Au54Ar 0.000 -0.025 3.651 100 0.011 1b
37 Au54H 0.000 -1.117 1.595 100 0.011 0t
38 Au54He 0.000 0.002 3.705 100 0.011 0t
39 Au54Li 0.000 -0.299 2.190 100 0.011 0t
40 Au54Be 0.000 -0.039 2.075 100 0.011 0t
41 Au54B 0.000 -0.349 1.936 100 0.011 0t
42 Au54C 0.000 -1.248 1.843 100 0.011 0t
43 Au54N 0.000 -3.124 1.846 100 0.011 0t
44 Au54O 0.000 -1.533 1.899 100 0.010 0t
45 Au54F 0.000 -0.424 2.054 100 0.010 0t
46 Au54Ne 0.000 -0.013 3.612 100 0.011 0t
47 Au54Na 0.000 -0.225 2.484 100 0.011 0t
48 Au54Mg 0.000 -0.004 2.361 100 0.011 0t
49 AlAu54 0.000 -0.295 2.346 100 0.011 0t
50 Au54Si 0.000 -0.830 2.049 100 0.011 0t