ASE database

Displaying rows 1-17 out of 17
↓ ID ✕ Formula ✕ Username ✕ Number of atoms ✕ atom_E ✕ Dipole_val ✕
1 Au54H hecc 55 -1.117 -0.123
2 Au54He hecc 55 0.002 -0.011
3 Au54Li hecc 55 -0.299 -2.696
4 Au54Be hecc 55 -0.039 -0.238
5 Au54B hecc 55 -0.349 -0.022
6 Au54C hecc 55 -1.248 0.044
7 Au54N hecc 55 -3.124 0.360
8 Au54O hecc 55 -1.533 0.594
9 Au54F hecc 55 -0.424 1.029
10 Au54Ne hecc 55 -0.013 -0.012
11 Au54Na hecc 55 -0.225 -4.669
12 Au54Mg hecc 55 -0.004 -2.555
13 AlAu54 hecc 55 -0.295 -0.805
14 Au54Si hecc 55 -0.830 -0.276
15 Au54P hecc 55 -1.888 0.008
16 Au54S hecc 55 -0.945 0.191
17 Au54Cl hecc 55 -0.243 0.752
18 Au54Ar hecc 55 -0.025 -0.077
19 Au54H hecc 55 -1.117 -0.004
20 Au54He hecc 55 0.002 -0.017
21 Au54Li hecc 55 -0.299 -3.955
22 Au54Be hecc 55 -0.039 -1.093
23 Au54B hecc 55 -0.349 -0.008
24 Au54C hecc 55 -1.248 0.475
25 Au54N hecc 55 -3.124 0.930