ASE database

ID Formula PBC plane_index Maximum stress Energy Maximum force ads_site
26 Au54O TTT 100 0.011 -169.953 0.008 1b
27 Au54F TTT 100 0.011 -168.878 0.007 1b
28 Au54Ne TTT 100 0.011 -165.084 0.009 1b
29 Au54Na TTT 100 0.011 -167.438 0.007 1b
30 Au54Mg TTT 100 0.012 -166.817 0.010 1b
31 AlAu54 TTT 100 0.012 -168.662 0.010 1b
32 Au54Si TTT 100 0.012 -169.936 0.004 1b
33 Au54P TTT 100 0.011 -170.059 0.009 1b
34 Au54S TTT 100 0.011 -169.436 0.005 1b
35 Au54Cl TTT 100 0.011 -168.055 0.005 1b
36 Au54Ar TTT 100 0.011 -165.093 0.008 1b
37 Au54H TTT 100 0.011 -168.134 0.009 0t
38 Au54He TTT 100 0.011 -165.067 0.008 0t
39 Au54Li TTT 100 0.011 -167.627 0.005 0t
40 Au54Be TTT 100 0.011 -166.735 0.007 0t
41 Au54B TTT 100 0.011 -168.412 0.007 0t
42 Au54C TTT 100 0.011 -169.007 0.010 0t
43 Au54N TTT 100 0.011 -168.955 0.005 0t
44 Au54O TTT 100 0.010 -168.874 0.009 0t
45 Au54F TTT 100 0.010 -168.510 0.008 0t
46 Au54Ne TTT 100 0.011 -165.081 0.007 0t
47 Au54Na TTT 100 0.011 -167.240 0.008 0t
48 Au54Mg TTT 100 0.011 -166.341 0.010 0t
49 AlAu54 TTT 100 0.011 -168.104 0.008 0t
50 Au54Si TTT 100 0.011 -168.778 0.007 0t