ASE database

ID Formula atom_E PBC distance Username Number of atoms str_E
1 Au54H -1.117 TTT 0.464 hecc 55 -168.070
2 Au54He 0.002 TTT 3.597 hecc 55 -165.069
3 Au54Li -0.299 TTT 1.620 hecc 55 -168.230
4 Au54Be -0.039 TTT 0.461 hecc 55 -169.147
5 Au54B -0.349 TTT 0.094 hecc 55 -171.055
6 Au54C -1.248 TTT 0.055 hecc 55 -171.207
7 Au54N -3.124 TTT 0.748 hecc 55 -170.577
8 Au54O -1.533 TTT 0.843 hecc 55 -169.926
9 Au54F -0.424 TTT 1.259 hecc 55 -168.695
10 Au54Ne -0.013 TTT 3.424 hecc 55 -165.085
11 Au54Na -0.225 TTT 2.111 hecc 55 -167.652
12 Au54Mg -0.004 TTT 1.410 hecc 55 -167.509
13 AlAu54 -0.295 TTT 0.934 hecc 55 -169.611
14 Au54Si -0.830 TTT 0.866 hecc 55 -170.944
15 Au54P -1.888 TTT 1.150 hecc 55 -171.031
16 Au54S -0.945 TTT 1.251 hecc 55 -169.906
17 Au54Cl -0.243 TTT 1.721 hecc 55 -167.868
18 Au54Ar -0.025 TTT 3.651 hecc 55 -165.095
19 Au54H -1.117 TTT 0.885 hecc 55 -168.428
20 Au54He 0.002 TTT 3.568 hecc 55 -165.069
21 Au54Li -0.299 TTT 1.954 hecc 55 -167.904
22 Au54Be -0.039 TTT 1.213 hecc 55 -167.816
23 Au54B -0.349 TTT 0.861 hecc 55 -169.754
24 Au54C -1.248 TTT 1.062 hecc 55 -170.497
25 Au54N -3.124 TTT 1.146 hecc 55 -170.360