ASE database

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