ASE database

ID Formula Calculator Charge str_E Maximum stress Volume
26 Au54O vasp 0.000 -169.953 0.011 2654.442
27 Au54F vasp 0.000 -168.878 0.011 2654.442
28 Au54Ne vasp 0.000 -165.084 0.011 2654.442
29 Au54Na vasp 0.000 -167.438 0.011 2654.442
30 Au54Mg vasp 0.000 -166.817 0.012 2654.442
31 AlAu54 vasp 0.000 -168.662 0.012 2654.442
32 Au54Si vasp 0.000 -169.936 0.012 2654.442
33 Au54P vasp 0.000 -170.059 0.011 2654.442
34 Au54S vasp 0.000 -169.436 0.011 2654.442
35 Au54Cl vasp 0.000 -168.055 0.011 2654.442
36 Au54Ar vasp 0.000 -165.093 0.011 2654.442
37 Au54H vasp 0.000 -168.134 0.011 2654.442
38 Au54He vasp 0.000 -165.067 0.011 2654.442
39 Au54Li vasp 0.000 -167.627 0.011 2654.442
40 Au54Be vasp 0.000 -166.735 0.011 2654.442
41 Au54B vasp 0.000 -168.412 0.011 2654.442
42 Au54C vasp 0.000 -169.007 0.011 2654.442
43 Au54N vasp 0.000 -168.955 0.011 2654.442
44 Au54O vasp 0.000 -168.874 0.010 2654.442
45 Au54F vasp 0.000 -168.510 0.010 2654.442
46 Au54Ne vasp 0.000 -165.081 0.011 2654.442
47 Au54Na vasp 0.000 -167.240 0.011 2654.442
48 Au54Mg vasp 0.000 -166.341 0.011 2654.442
49 AlAu54 vasp 0.000 -168.104 0.011 2654.442
50 Au54Si vasp 0.000 -168.778 0.011 2654.442