ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Age ✕ Number of atoms ✕ atom_E ✕ Calculator ✕ Volume ✕ PBC ✕ Maximum stress ✕ distance ✕
1 Au54H 15M 55 -1.117 vasp 2654.442 TTT 0.012 0.464
2 Au54He 15M 55 0.002 vasp 2654.442 TTT 0.011 3.597
3 Au54Li 15M 55 -0.299 vasp 2654.442 TTT 0.011 1.620
4 Au54Be 15M 55 -0.039 vasp 2654.442 TTT 0.010 0.461
5 Au54B 15M 55 -0.349 vasp 2654.442 TTT 0.011 0.094
6 Au54C 15M 55 -1.248 vasp 2654.442 TTT 0.011 0.055
7 Au54N 15M 55 -3.124 vasp 2654.442 TTT 0.011 0.748
8 Au54O 15M 55 -1.533 vasp 2654.442 TTT 0.011 0.843
9 Au54F 15M 55 -0.424 vasp 2654.442 TTT 0.011 1.259
10 Au54Ne 15M 55 -0.013 vasp 2654.442 TTT 0.011 3.424
11 Au54Na 15M 55 -0.225 vasp 2654.442 TTT 0.011 2.111
12 Au54Mg 15M 55 -0.004 vasp 2654.442 TTT 0.010 1.410
13 AlAu54 15M 55 -0.295 vasp 2654.442 TTT 0.010 0.934
14 Au54Si 15M 55 -0.830 vasp 2654.442 TTT 0.010 0.866
15 Au54P 15M 55 -1.888 vasp 2654.442 TTT 0.011 1.150
16 Au54S 15M 55 -0.945 vasp 2654.442 TTT 0.011 1.251
17 Au54Cl 15M 55 -0.243 vasp 2654.442 TTT 0.011 1.721
18 Au54Ar 15M 55 -0.025 vasp 2654.442 TTT 0.011 3.651
19 Au54H 15M 55 -1.117 vasp 2654.442 TTT 0.011 0.885
20 Au54He 15M 55 0.002 vasp 2654.442 TTT 0.011 3.568
21 Au54Li 15M 55 -0.299 vasp 2654.442 TTT 0.012 1.954
22 Au54Be 15M 55 -0.039 vasp 2654.442 TTT 0.012 1.213
23 Au54B 15M 55 -0.349 vasp 2654.442 TTT 0.011 0.861
24 Au54C 15M 55 -1.248 vasp 2654.442 TTT 0.011 1.062
25 Au54N 15M 55 -3.124 vasp 2654.442 TTT 0.011 1.146