ASE database

Displaying rows 1-25 out of 414
↓ ID ✕ Formula ✕ Volume ✕ Energy ✕ plane_index ✕ Maximum force ✕ slab_E ✕ PBC ✕ Number of atoms ✕ ads_E ✕
1 Au54H 2654.442 -168.070 100 0.008 -165.064 TTT 55 -1.889
2 Au54He 2654.442 -165.069 100 0.006 -165.064 TTT 55 -0.007
3 Au54Li 2654.442 -168.230 100 0.008 -165.064 TTT 55 -2.868
4 Au54Be 2654.442 -169.147 100 0.008 -165.064 TTT 55 -4.044
5 Au54B 2654.442 -171.055 100 0.008 -165.064 TTT 55 -5.643
6 Au54C 2654.442 -171.207 100 0.009 -165.064 TTT 55 -4.895
7 Au54N 2654.442 -170.577 100 0.008 -165.064 TTT 55 -2.390
8 Au54O 2654.442 -169.926 100 0.009 -165.064 TTT 55 -3.329
9 Au54F 2654.442 -168.695 100 0.005 -165.064 TTT 55 -3.208
10 Au54Ne 2654.442 -165.085 100 0.010 -165.064 TTT 55 -0.009
11 Au54Na 2654.442 -167.652 100 0.005 -165.064 TTT 55 -2.363
12 Au54Mg 2654.442 -167.509 100 0.010 -165.064 TTT 55 -2.441
13 AlAu54 2654.442 -169.611 100 0.010 -165.064 TTT 55 -4.253
14 Au54Si 2654.442 -170.944 100 0.006 -165.064 TTT 55 -5.051
15 Au54P 2654.442 -171.031 100 0.006 -165.064 TTT 55 -4.079
16 Au54S 2654.442 -169.906 100 0.007 -165.064 TTT 55 -3.898
17 Au54Cl 2654.442 -167.868 100 0.010 -165.064 TTT 55 -2.562
18 Au54Ar 2654.442 -165.095 100 0.006 -165.064 TTT 55 -0.005
19 Au54H 2654.442 -168.428 100 0.010 -165.064 TTT 55 -2.247
20 Au54He 2654.442 -165.069 100 0.009 -165.064 TTT 55 -0.007
21 Au54Li 2654.442 -167.904 100 0.009 -165.064 TTT 55 -2.541
22 Au54Be 2654.442 -167.816 100 0.009 -165.064 TTT 55 -2.713
23 Au54B 2654.442 -169.754 100 0.009 -165.064 TTT 55 -4.341
24 Au54C 2654.442 -170.497 100 0.006 -165.064 TTT 55 -4.185
25 Au54N 2654.442 -170.360 100 0.010 -165.064 TTT 55 -2.172