ASE database

Displaying rows 51-75 out of 594
↓ ID ✕ Formula ✕ Number of atoms ✕ Maximum force ✕ Dipole_val ✕ Charge ✕
51 Au54P 55 0.004 0.133 0.000
52 Au54S 55 0.009 1.591 0.000
53 Au54Cl 55 0.008 2.287 0.000
54 Au54Ar 55 0.005 -0.102 0.000
55 Au72H 73 0.010 -0.181 0.000
56 Au72He 73 0.008 -0.016 0.000
57 Au72Li 73 0.010 -1.996 0.000
58 Au72Be 73 0.007 -0.158 0.000
59 Au72B 73 0.009 0.170 0.000
60 Au72C 73 0.009 0.284 0.000
61 Au72N 73 0.007 0.438 0.000
62 Au72O 73 0.008 0.578 0.000
63 Au72F 73 0.010 1.101 0.000
64 Au72Ne 73 0.008 -0.007 0.000
65 Au72Na 73 0.006 -3.683 0.000
66 Au72Mg 73 0.005 -1.984 0.000
67 AlAu72 73 0.005 -0.572 0.000
68 Au72Si 73 0.007 -0.022 0.000
69 Au72P 73 0.009 0.189 0.000
70 Au72S 73 0.005 0.303 0.000
71 Au72Cl 73 0.010 1.191 0.000
72 Au72Ar 73 0.007 -0.072 0.000
73 Au72H 73 0.009 -0.028 0.000
74 Au72He 73 0.010 -0.021 0.000
75 Au72Li 73 0.010 -2.222 0.000