ASE database

ID Formula Maximum stress distance slab_E Charge ads_E
51 Au54P 0.011 2.068 -165.064 0.000 -1.663
52 Au54S 0.011 2.223 -165.064 0.000 -2.279
53 Au54Cl 0.010 2.348 -165.064 0.000 -2.402
54 Au54Ar 0.011 3.732 -165.064 0.000 -0.003
55 Au72H 0.013 0.550 -218.527 0.000 -1.683
56 Au72He 0.013 3.257 -218.527 0.000 -0.005
57 Au72Li 0.014 1.239 -218.527 0.000 -2.954
58 Au72Be 0.014 0.506 -218.527 0.000 -3.785
59 Au72B 0.014 0.212 -218.527 0.000 -5.089
60 Au72C 0.013 0.153 -218.527 0.000 -4.383
61 Au72N 0.013 0.283 -218.527 0.000 -2.009
62 Au72O 0.013 0.490 -218.527 0.000 -2.954
63 Au72F 0.013 1.058 -218.527 0.000 -3.008
64 Au72Ne 0.013 3.091 -218.527 0.000 -0.008
65 Au72Na 0.014 1.723 -218.527 0.000 -2.503
66 Au72Mg 0.014 1.112 -218.527 0.000 -2.706
67 AlAu72 0.013 0.784 -218.527 0.000 -4.343
68 Au72Si 0.013 0.676 -218.527 0.000 -4.977
69 Au72P 0.013 0.689 -218.527 0.000 -3.831
70 Au72S 0.013 0.863 -218.527 0.000 -3.509
71 Au72Cl 0.013 1.609 -218.527 0.000 -2.405
72 Au72Ar 0.013 3.253 -218.527 0.000 -0.002
73 Au72H 0.013 0.625 -218.527 0.000 -1.957
74 Au72He 0.013 3.259 -218.527 0.000 -0.005
75 Au72Li 0.014 1.284 -218.527 0.000 -2.846