ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Number of atoms ✕ Maximum force ✕ Dipole_val ✕
1 Au54H 55 0.008 -0.123
2 Au54He 55 0.006 -0.011
3 Au54Li 55 0.008 -2.696
4 Au54Be 55 0.008 -0.238
5 Au54B 55 0.008 -0.022
6 Au54C 55 0.009 0.044
7 Au54N 55 0.008 0.360
8 Au54O 55 0.009 0.594
9 Au54F 55 0.005 1.029
10 Au54Ne 55 0.010 -0.012
11 Au54Na 55 0.005 -4.669
12 Au54Mg 55 0.010 -2.555
13 AlAu54 55 0.010 -0.805
14 Au54Si 55 0.006 -0.276
15 Au54P 55 0.006 0.008
16 Au54S 55 0.007 0.191
17 Au54Cl 55 0.010 0.752
18 Au54Ar 55 0.006 -0.077
19 Au54H 55 0.010 -0.004
20 Au54He 55 0.009 -0.017
21 Au54Li 55 0.009 -3.955
22 Au54Be 55 0.009 -1.093
23 Au54B 55 0.009 -0.008
24 Au54C 55 0.006 0.475
25 Au54N 55 0.010 0.930