ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ atom_E ✕ PBC ✕ distance ✕ Username ✕ Number of atoms ✕ str_E ✕ plane_index ✕ Charge ✕ slab_E ✕
1 Au54H -1.117 TTT 0.464 hecc 55 -168.070 100 0.000 -165.064
2 Au54He 0.002 TTT 3.597 hecc 55 -165.069 100 0.000 -165.064
3 Au54Li -0.299 TTT 1.620 hecc 55 -168.230 100 0.000 -165.064
4 Au54Be -0.039 TTT 0.461 hecc 55 -169.147 100 0.000 -165.064
5 Au54B -0.349 TTT 0.094 hecc 55 -171.055 100 0.000 -165.064
6 Au54C -1.248 TTT 0.055 hecc 55 -171.207 100 0.000 -165.064
7 Au54N -3.124 TTT 0.748 hecc 55 -170.577 100 0.000 -165.064
8 Au54O -1.533 TTT 0.843 hecc 55 -169.926 100 0.000 -165.064
9 Au54F -0.424 TTT 1.259 hecc 55 -168.695 100 0.000 -165.064
10 Au54Ne -0.013 TTT 3.424 hecc 55 -165.085 100 0.000 -165.064
11 Au54Na -0.225 TTT 2.111 hecc 55 -167.652 100 0.000 -165.064
12 Au54Mg -0.004 TTT 1.410 hecc 55 -167.509 100 0.000 -165.064
13 AlAu54 -0.295 TTT 0.934 hecc 55 -169.611 100 0.000 -165.064
14 Au54Si -0.830 TTT 0.866 hecc 55 -170.944 100 0.000 -165.064
15 Au54P -1.888 TTT 1.150 hecc 55 -171.031 100 0.000 -165.064
16 Au54S -0.945 TTT 1.251 hecc 55 -169.906 100 0.000 -165.064
17 Au54Cl -0.243 TTT 1.721 hecc 55 -167.868 100 0.000 -165.064
18 Au54Ar -0.025 TTT 3.651 hecc 55 -165.095 100 0.000 -165.064
19 Au54H -1.117 TTT 0.885 hecc 55 -168.428 100 0.000 -165.064
20 Au54He 0.002 TTT 3.568 hecc 55 -165.069 100 0.000 -165.064
21 Au54Li -0.299 TTT 1.954 hecc 55 -167.904 100 0.000 -165.064
22 Au54Be -0.039 TTT 1.213 hecc 55 -167.816 100 0.000 -165.064
23 Au54B -0.349 TTT 0.861 hecc 55 -169.754 100 0.000 -165.064
24 Au54C -1.248 TTT 1.062 hecc 55 -170.497 100 0.000 -165.064
25 Au54N -3.124 TTT 1.146 hecc 55 -170.360 100 0.000 -165.064