ASE database

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