ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Volume ✕ PBC ✕ str_E ✕ Energy ✕ Calculator ✕
1 Au54H 2654.442 TTT -168.070 -168.070 vasp
2 Au54He 2654.442 TTT -165.069 -165.069 vasp
3 Au54Li 2654.442 TTT -168.230 -168.230 vasp
4 Au54Be 2654.442 TTT -169.147 -169.147 vasp
5 Au54B 2654.442 TTT -171.055 -171.055 vasp
6 Au54C 2654.442 TTT -171.207 -171.207 vasp
7 Au54N 2654.442 TTT -170.577 -170.577 vasp
8 Au54O 2654.442 TTT -169.926 -169.926 vasp
9 Au54F 2654.442 TTT -168.695 -168.695 vasp
10 Au54Ne 2654.442 TTT -165.085 -165.085 vasp
11 Au54Na 2654.442 TTT -167.652 -167.652 vasp
12 Au54Mg 2654.442 TTT -167.509 -167.509 vasp
13 AlAu54 2654.442 TTT -169.611 -169.611 vasp
14 Au54Si 2654.442 TTT -170.944 -170.944 vasp
15 Au54P 2654.442 TTT -171.031 -171.031 vasp
16 Au54S 2654.442 TTT -169.906 -169.906 vasp
17 Au54Cl 2654.442 TTT -167.868 -167.868 vasp
18 Au54Ar 2654.442 TTT -165.095 -165.095 vasp
19 Au54H 2654.442 TTT -168.428 -168.428 vasp
20 Au54He 2654.442 TTT -165.069 -165.069 vasp
21 Au54Li 2654.442 TTT -167.904 -167.904 vasp
22 Au54Be 2654.442 TTT -167.816 -167.816 vasp
23 Au54B 2654.442 TTT -169.754 -169.754 vasp
24 Au54C 2654.442 TTT -170.497 -170.497 vasp
25 Au54N 2654.442 TTT -170.360 -170.360 vasp