ASE database

ID Formula atom_E Charge Maximum stress distance Dipole_val
51 Au54P -1.888 0.000 0.011 2.068 0.133
52 Au54S -0.945 0.000 0.011 2.223 1.591
53 Au54Cl -0.243 0.000 0.010 2.348 2.287
54 Au54Ar -0.025 0.000 0.011 3.732 -0.102
55 Au72H -1.117 0.000 0.013 0.550 -0.181
56 Au72He 0.002 0.000 0.013 3.257 -0.016
57 Au72Li -0.299 0.000 0.014 1.239 -1.996
58 Au72Be -0.039 0.000 0.014 0.506 -0.158
59 Au72B -0.349 0.000 0.014 0.212 0.170
60 Au72C -1.248 0.000 0.013 0.153 0.284
61 Au72N -3.124 0.000 0.013 0.283 0.438
62 Au72O -1.533 0.000 0.013 0.490 0.578
63 Au72F -0.424 0.000 0.013 1.058 1.101
64 Au72Ne -0.013 0.000 0.013 3.091 -0.007
65 Au72Na -0.225 0.000 0.014 1.723 -3.683
66 Au72Mg -0.004 0.000 0.014 1.112 -1.984
67 AlAu72 -0.295 0.000 0.013 0.784 -0.572
68 Au72Si -0.830 0.000 0.013 0.676 -0.022
69 Au72P -1.888 0.000 0.013 0.689 0.189
70 Au72S -0.945 0.000 0.013 0.863 0.303
71 Au72Cl -0.243 0.000 0.013 1.609 1.191
72 Au72Ar -0.025 0.000 0.013 3.253 -0.072
73 Au72H -1.117 0.000 0.013 0.625 -0.028
74 Au72He 0.002 0.000 0.013 3.259 -0.021
75 Au72Li -0.299 0.000 0.014 1.284 -2.222