ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Calculator ✕ plane_index ✕ PBC ✕ str_E ✕ Mass ✕ Age ✕
1 Au54H vasp 100 TTT -168.070 10637.203 15M
2 Au54He vasp 100 TTT -165.069 10640.197 15M
3 Au54Li vasp 100 TTT -168.230 10643.135 15M
4 Au54Be vasp 100 TTT -169.147 10645.207 15M
5 Au54B vasp 100 TTT -171.055 10647.005 15M
6 Au54C vasp 100 TTT -171.207 10648.206 15M
7 Au54N vasp 100 TTT -170.577 10650.202 15M
8 Au54O vasp 100 TTT -169.926 10652.194 15M
9 Au54F vasp 100 TTT -168.695 10655.193 15M
10 Au54Ne vasp 100 TTT -165.085 10656.374 15M
11 Au54Na vasp 100 TTT -167.652 10659.184 15M
12 Au54Mg vasp 100 TTT -167.509 10660.500 15M
13 AlAu54 vasp 100 TTT -169.611 10663.176 15M
14 Au54Si vasp 100 TTT -170.944 10664.280 15M
15 Au54P vasp 100 TTT -171.031 10667.168 15M
16 Au54S vasp 100 TTT -169.906 10668.255 15M
17 Au54Cl vasp 100 TTT -167.868 10671.645 15M
18 Au54Ar vasp 100 TTT -165.095 10676.143 15M
19 Au54H vasp 100 TTT -168.428 10637.203 15M
20 Au54He vasp 100 TTT -165.069 10640.197 15M
21 Au54Li vasp 100 TTT -167.904 10643.135 15M
22 Au54Be vasp 100 TTT -167.816 10645.207 15M
23 Au54B vasp 100 TTT -169.754 10647.005 15M
24 Au54C vasp 100 TTT -170.497 10648.206 15M
25 Au54N vasp 100 TTT -170.360 10650.202 15M