ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ plane_index ✕ Energy ✕ Volume ✕ str_E ✕ Username ✕ Calculator ✕
1 Au54H 100 -168.070 2654.442 -168.070 hecc vasp
2 Au54He 100 -165.069 2654.442 -165.069 hecc vasp
3 Au54Li 100 -168.230 2654.442 -168.230 hecc vasp
4 Au54Be 100 -169.147 2654.442 -169.147 hecc vasp
5 Au54B 100 -171.055 2654.442 -171.055 hecc vasp
6 Au54C 100 -171.207 2654.442 -171.207 hecc vasp
7 Au54N 100 -170.577 2654.442 -170.577 hecc vasp
8 Au54O 100 -169.926 2654.442 -169.926 hecc vasp
9 Au54F 100 -168.695 2654.442 -168.695 hecc vasp
10 Au54Ne 100 -165.085 2654.442 -165.085 hecc vasp
11 Au54Na 100 -167.652 2654.442 -167.652 hecc vasp
12 Au54Mg 100 -167.509 2654.442 -167.509 hecc vasp
13 AlAu54 100 -169.611 2654.442 -169.611 hecc vasp
14 Au54Si 100 -170.944 2654.442 -170.944 hecc vasp
15 Au54P 100 -171.031 2654.442 -171.031 hecc vasp
16 Au54S 100 -169.906 2654.442 -169.906 hecc vasp
17 Au54Cl 100 -167.868 2654.442 -167.868 hecc vasp
18 Au54Ar 100 -165.095 2654.442 -165.095 hecc vasp
19 Au54H 100 -168.428 2654.442 -168.428 hecc vasp
20 Au54He 100 -165.069 2654.442 -165.069 hecc vasp
21 Au54Li 100 -167.904 2654.442 -167.904 hecc vasp
22 Au54Be 100 -167.816 2654.442 -167.816 hecc vasp
23 Au54B 100 -169.754 2654.442 -169.754 hecc vasp
24 Au54C 100 -170.497 2654.442 -170.497 hecc vasp
25 Au54N 100 -170.360 2654.442 -170.360 hecc vasp