ASE database

Displaying rows 1-25 out of 414
↓ ID ✕ Formula ✕ Volume ✕ Energy ✕ plane_index ✕ Maximum force ✕ slab_E ✕ PBC ✕ Number of atoms ✕
1 Au54H 2654.442 -168.070 100 0.008 -165.064 TTT 55
2 Au54He 2654.442 -165.069 100 0.006 -165.064 TTT 55
3 Au54Li 2654.442 -168.230 100 0.008 -165.064 TTT 55
4 Au54Be 2654.442 -169.147 100 0.008 -165.064 TTT 55
5 Au54B 2654.442 -171.055 100 0.008 -165.064 TTT 55
6 Au54C 2654.442 -171.207 100 0.009 -165.064 TTT 55
7 Au54N 2654.442 -170.577 100 0.008 -165.064 TTT 55
8 Au54O 2654.442 -169.926 100 0.009 -165.064 TTT 55
9 Au54F 2654.442 -168.695 100 0.005 -165.064 TTT 55
10 Au54Ne 2654.442 -165.085 100 0.010 -165.064 TTT 55
11 Au54Na 2654.442 -167.652 100 0.005 -165.064 TTT 55
12 Au54Mg 2654.442 -167.509 100 0.010 -165.064 TTT 55
13 AlAu54 2654.442 -169.611 100 0.010 -165.064 TTT 55
14 Au54Si 2654.442 -170.944 100 0.006 -165.064 TTT 55
15 Au54P 2654.442 -171.031 100 0.006 -165.064 TTT 55
16 Au54S 2654.442 -169.906 100 0.007 -165.064 TTT 55
17 Au54Cl 2654.442 -167.868 100 0.010 -165.064 TTT 55
18 Au54Ar 2654.442 -165.095 100 0.006 -165.064 TTT 55
19 Au54H 2654.442 -168.428 100 0.010 -165.064 TTT 55
20 Au54He 2654.442 -165.069 100 0.009 -165.064 TTT 55
21 Au54Li 2654.442 -167.904 100 0.009 -165.064 TTT 55
22 Au54Be 2654.442 -167.816 100 0.009 -165.064 TTT 55
23 Au54B 2654.442 -169.754 100 0.009 -165.064 TTT 55
24 Au54C 2654.442 -170.497 100 0.006 -165.064 TTT 55
25 Au54N 2654.442 -170.360 100 0.010 -165.064 TTT 55