ASE database

ID Formula Charge Volume ads_site str_E Magnetic moment Maximum stress
26 Au54O 0.000 2654.442 1b -169.953 -0.000 0.011
27 Au54F 0.000 2654.442 1b -168.878 0.000 0.011
28 Au54Ne 0.000 2654.442 1b -165.084 0.000 0.011
29 Au54Na 0.000 2654.442 1b -167.438 0.000 0.011
30 Au54Mg 0.000 2654.442 1b -166.817 0.000 0.012
31 AlAu54 0.000 2654.442 1b -168.662 -0.000 0.012
32 Au54Si 0.000 2654.442 1b -169.936 -0.000 0.012
33 Au54P 0.000 2654.442 1b -170.059 -0.000 0.011
34 Au54S 0.000 2654.442 1b -169.436 0.000 0.011
35 Au54Cl 0.000 2654.442 1b -168.055 0.000 0.011
36 Au54Ar 0.000 2654.442 1b -165.093 0.000 0.011
37 Au54H 0.000 2654.442 0t -168.134 -0.000 0.011
38 Au54He 0.000 2654.442 0t -165.067 0.000 0.011
39 Au54Li 0.000 2654.442 0t -167.627 -0.000 0.011
40 Au54Be 0.000 2654.442 0t -166.735 0.000 0.011
41 Au54B 0.000 2654.442 0t -168.412 0.000 0.011
42 Au54C 0.000 2654.442 0t -169.007 0.000 0.011
43 Au54N 0.000 2654.442 0t -168.955 0.000 0.011
44 Au54O 0.000 2654.442 0t -168.874 0.000 0.010
45 Au54F 0.000 2654.442 0t -168.510 -0.000 0.010
46 Au54Ne 0.000 2654.442 0t -165.081 0.000 0.011
47 Au54Na 0.000 2654.442 0t -167.240 0.000 0.011
48 Au54Mg 0.000 2654.442 0t -166.341 -0.000 0.011
49 AlAu54 0.000 2654.442 0t -168.104 0.000 0.011
50 Au54Si 0.000 2654.442 0t -168.778 -0.000 0.011