ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ plane_index ✕ ads_E ✕ slab_E ✕ Volume ✕ atom_E ✕ Maximum force ✕
1 Au54H 100 -1.889 -165.064 2654.442 -1.117 0.008
2 Au54He 100 -0.007 -165.064 2654.442 0.002 0.006
3 Au54Li 100 -2.868 -165.064 2654.442 -0.299 0.008
4 Au54Be 100 -4.044 -165.064 2654.442 -0.039 0.008
5 Au54B 100 -5.643 -165.064 2654.442 -0.349 0.008
6 Au54C 100 -4.895 -165.064 2654.442 -1.248 0.009
7 Au54N 100 -2.390 -165.064 2654.442 -3.124 0.008
8 Au54O 100 -3.329 -165.064 2654.442 -1.533 0.009
9 Au54F 100 -3.208 -165.064 2654.442 -0.424 0.005
10 Au54Ne 100 -0.009 -165.064 2654.442 -0.013 0.010
11 Au54Na 100 -2.363 -165.064 2654.442 -0.225 0.005
12 Au54Mg 100 -2.441 -165.064 2654.442 -0.004 0.010
13 AlAu54 100 -4.253 -165.064 2654.442 -0.295 0.010
14 Au54Si 100 -5.051 -165.064 2654.442 -0.830 0.006
15 Au54P 100 -4.079 -165.064 2654.442 -1.888 0.006
16 Au54S 100 -3.898 -165.064 2654.442 -0.945 0.007
17 Au54Cl 100 -2.562 -165.064 2654.442 -0.243 0.010
18 Au54Ar 100 -0.005 -165.064 2654.442 -0.025 0.006
19 Au54H 100 -2.247 -165.064 2654.442 -1.117 0.010
20 Au54He 100 -0.007 -165.064 2654.442 0.002 0.009
21 Au54Li 100 -2.541 -165.064 2654.442 -0.299 0.009
22 Au54Be 100 -2.713 -165.064 2654.442 -0.039 0.009
23 Au54B 100 -4.341 -165.064 2654.442 -0.349 0.009
24 Au54C 100 -4.185 -165.064 2654.442 -1.248 0.006
25 Au54N 100 -2.172 -165.064 2654.442 -3.124 0.010