ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Calculator ✕ PBC ✕ Username ✕ ads_E ✕ Number of atoms ✕ ads_site ✕
1 Au54H vasp TTT hecc -1.889 55 2f
2 Au54He vasp TTT hecc -0.007 55 2f
3 Au54Li vasp TTT hecc -2.868 55 2f
4 Au54Be vasp TTT hecc -4.044 55 2f
5 Au54B vasp TTT hecc -5.643 55 2f
6 Au54C vasp TTT hecc -4.895 55 2f
7 Au54N vasp TTT hecc -2.390 55 2f
8 Au54O vasp TTT hecc -3.329 55 2f
9 Au54F vasp TTT hecc -3.208 55 2f
10 Au54Ne vasp TTT hecc -0.009 55 2f
11 Au54Na vasp TTT hecc -2.363 55 2f
12 Au54Mg vasp TTT hecc -2.441 55 2f
13 AlAu54 vasp TTT hecc -4.253 55 2f
14 Au54Si vasp TTT hecc -5.051 55 2f
15 Au54P vasp TTT hecc -4.079 55 2f
16 Au54S vasp TTT hecc -3.898 55 2f
17 Au54Cl vasp TTT hecc -2.562 55 2f
18 Au54Ar vasp TTT hecc -0.005 55 2f
19 Au54H vasp TTT hecc -2.247 55 1b
20 Au54He vasp TTT hecc -0.007 55 1b
21 Au54Li vasp TTT hecc -2.541 55 1b
22 Au54Be vasp TTT hecc -2.713 55 1b
23 Au54B vasp TTT hecc -4.341 55 1b
24 Au54C vasp TTT hecc -4.185 55 1b
25 Au54N vasp TTT hecc -2.172 55 1b