ASE database

ID Formula Charge Number of atoms distance Maximum stress atom_E Dipole_val Username
26 Au54O 0.000 55 1.207 0.011 -1.533 1.316 hecc
27 Au54F 0.000 55 1.450 0.011 -0.424 1.353 hecc
28 Au54Ne 0.000 55 3.533 0.011 -0.013 -0.015 hecc
29 Au54Na 0.000 55 2.311 0.011 -0.225 -5.551 hecc
30 Au54Mg 0.000 55 1.912 0.012 -0.004 -3.232 hecc
31 AlAu54 0.000 55 1.789 0.012 -0.295 -1.327 hecc
32 Au54Si 0.000 55 1.628 0.012 -0.830 -0.547 hecc
33 Au54P 0.000 55 1.558 0.011 -1.888 0.123 hecc
34 Au54S 0.000 55 1.610 0.011 -0.945 0.877 hecc
35 Au54Cl 0.000 55 1.850 0.011 -0.243 0.954 hecc
36 Au54Ar 0.000 55 3.651 0.011 -0.025 -0.099 hecc
37 Au54H 0.000 55 1.595 0.011 -1.117 0.155 hecc
38 Au54He 0.000 55 3.705 0.011 0.002 -0.015 hecc
39 Au54Li 0.000 55 2.190 0.011 -0.299 -5.047 hecc
40 Au54Be 0.000 55 2.075 0.011 -0.039 -1.560 hecc
41 Au54B 0.000 55 1.936 0.011 -0.349 0.021 hecc
42 Au54C 0.000 55 1.843 0.011 -1.248 0.691 hecc
43 Au54N 0.000 55 1.846 0.011 -3.124 1.558 hecc
44 Au54O 0.000 55 1.899 0.010 -1.533 2.393 hecc
45 Au54F 0.000 55 2.054 0.010 -0.424 2.726 hecc
46 Au54Ne 0.000 55 3.612 0.011 -0.013 -0.019 hecc
47 Au54Na 0.000 55 2.484 0.011 -0.225 -6.299 hecc
48 Au54Mg 0.000 55 2.361 0.011 -0.004 -3.297 hecc
49 AlAu54 0.000 55 2.346 0.011 -0.295 -2.036 hecc
50 Au54Si 0.000 55 2.049 0.011 -0.830 -1.163 hecc