ASE database

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