ASE database

ID Formula Volume atom_E Magnetic moment Energy ads_E Maximum stress
26 Au54O 2654.442 -1.533 -0.000 -169.953 -3.356 0.011
27 Au54F 2654.442 -0.424 0.000 -168.878 -3.390 0.011
28 Au54Ne 2654.442 -0.013 0.000 -165.084 -0.008 0.011
29 Au54Na 2654.442 -0.225 0.000 -167.438 -2.150 0.011
30 Au54Mg 2654.442 -0.004 0.000 -166.817 -1.750 0.012
31 AlAu54 2654.442 -0.295 -0.000 -168.662 -3.303 0.012
32 Au54Si 2654.442 -0.830 -0.000 -169.936 -4.042 0.012
33 Au54P 2654.442 -1.888 -0.000 -170.059 -3.107 0.011
34 Au54S 2654.442 -0.945 0.000 -169.436 -3.427 0.011
35 Au54Cl 2654.442 -0.243 0.000 -168.055 -2.748 0.011
36 Au54Ar 2654.442 -0.025 0.000 -165.093 -0.004 0.011
37 Au54H 2654.442 -1.117 -0.000 -168.134 -1.953 0.011
38 Au54He 2654.442 0.002 0.000 -165.067 -0.005 0.011
39 Au54Li 2654.442 -0.299 -0.000 -167.627 -2.265 0.011
40 Au54Be 2654.442 -0.039 0.000 -166.735 -1.631 0.011
41 Au54B 2654.442 -0.349 0.000 -168.412 -2.999 0.011
42 Au54C 2654.442 -1.248 0.000 -169.007 -2.695 0.011
43 Au54N 2654.442 -3.124 0.000 -168.955 -0.767 0.011
44 Au54O 2654.442 -1.533 0.000 -168.874 -2.278 0.010
45 Au54F 2654.442 -0.424 -0.000 -168.510 -3.022 0.010
46 Au54Ne 2654.442 -0.013 0.000 -165.081 -0.004 0.011
47 Au54Na 2654.442 -0.225 0.000 -167.240 -1.952 0.011
48 Au54Mg 2654.442 -0.004 -0.000 -166.341 -1.273 0.011
49 AlAu54 2654.442 -0.295 0.000 -168.104 -2.745 0.011
50 Au54Si 2654.442 -0.830 -0.000 -168.778 -2.884 0.011