ASE database

ID Formula Username Number of atoms Dipole_val distance str_E
26 Au54O hecc 55 1.316 1.207 -169.953
27 Au54F hecc 55 1.353 1.450 -168.878
28 Au54Ne hecc 55 -0.015 3.533 -165.084
29 Au54Na hecc 55 -5.551 2.311 -167.438
30 Au54Mg hecc 55 -3.232 1.912 -166.817
31 AlAu54 hecc 55 -1.327 1.789 -168.662
32 Au54Si hecc 55 -0.547 1.628 -169.936
33 Au54P hecc 55 0.123 1.558 -170.059
34 Au54S hecc 55 0.877 1.610 -169.436
35 Au54Cl hecc 55 0.954 1.850 -168.055
36 Au54Ar hecc 55 -0.099 3.651 -165.093
37 Au54H hecc 55 0.155 1.595 -168.134
38 Au54He hecc 55 -0.015 3.705 -165.067
39 Au54Li hecc 55 -5.047 2.190 -167.627
40 Au54Be hecc 55 -1.560 2.075 -166.735
41 Au54B hecc 55 0.021 1.936 -168.412
42 Au54C hecc 55 0.691 1.843 -169.007
43 Au54N hecc 55 1.558 1.846 -168.955
44 Au54O hecc 55 2.393 1.899 -168.874
45 Au54F hecc 55 2.726 2.054 -168.510
46 Au54Ne hecc 55 -0.019 3.612 -165.081
47 Au54Na hecc 55 -6.299 2.484 -167.240
48 Au54Mg hecc 55 -3.297 2.361 -166.341
49 AlAu54 hecc 55 -2.036 2.346 -168.104
50 Au54Si hecc 55 -1.163 2.049 -168.778