ASE database

ID Formula Dipole_val str_E ads_E Charge
26 Au54O 1.316 -169.953 -3.356 0.000
27 Au54F 1.353 -168.878 -3.390 0.000
28 Au54Ne -0.015 -165.084 -0.008 0.000
29 Au54Na -5.551 -167.438 -2.150 0.000
30 Au54Mg -3.232 -166.817 -1.750 0.000
31 AlAu54 -1.327 -168.662 -3.303 0.000
32 Au54Si -0.547 -169.936 -4.042 0.000
33 Au54P 0.123 -170.059 -3.107 0.000
34 Au54S 0.877 -169.436 -3.427 0.000
35 Au54Cl 0.954 -168.055 -2.748 0.000
36 Au54Ar -0.099 -165.093 -0.004 0.000
37 Au54H 0.155 -168.134 -1.953 0.000
38 Au54He -0.015 -165.067 -0.005 0.000
39 Au54Li -5.047 -167.627 -2.265 0.000
40 Au54Be -1.560 -166.735 -1.631 0.000
41 Au54B 0.021 -168.412 -2.999 0.000
42 Au54C 0.691 -169.007 -2.695 0.000
43 Au54N 1.558 -168.955 -0.767 0.000
44 Au54O 2.393 -168.874 -2.278 0.000
45 Au54F 2.726 -168.510 -3.022 0.000
46 Au54Ne -0.019 -165.081 -0.004 0.000
47 Au54Na -6.299 -167.240 -1.952 0.000
48 Au54Mg -3.297 -166.341 -1.273 0.000
49 AlAu54 -2.036 -168.104 -2.745 0.000
50 Au54Si -1.163 -168.778 -2.884 0.000