ASE database

Displaying rows 51-75 out of 594
↓ ID ✕ Formula ✕ Calculator ✕ Number of atoms ✕ ads_site ✕ Dipole_val ✕
51 Au54P vasp 55 0t 0.133
52 Au54S vasp 55 0t 1.591
53 Au54Cl vasp 55 0t 2.287
54 Au54Ar vasp 55 0t -0.102
55 Au72H vasp 73 2f -0.181
56 Au72He vasp 73 2f -0.016
57 Au72Li vasp 73 2f -1.996
58 Au72Be vasp 73 2f -0.158
59 Au72B vasp 73 2f 0.170
60 Au72C vasp 73 2f 0.284
61 Au72N vasp 73 2f 0.438
62 Au72O vasp 73 2f 0.578
63 Au72F vasp 73 2f 1.101
64 Au72Ne vasp 73 2f -0.007
65 Au72Na vasp 73 2f -3.683
66 Au72Mg vasp 73 2f -1.984
67 AlAu72 vasp 73 2f -0.572
68 Au72Si vasp 73 2f -0.022
69 Au72P vasp 73 2f 0.189
70 Au72S vasp 73 2f 0.303
71 Au72Cl vasp 73 2f 1.191
72 Au72Ar vasp 73 2f -0.072
73 Au72H vasp 73 3b -0.028
74 Au72He vasp 73 3b -0.021
75 Au72Li vasp 73 3b -2.222