ASE database

ID Formula str_E slab_E Energy ads_site
51 Au54P -168.614 -165.064 -168.614 0t
52 Au54S -168.287 -165.064 -168.287 0t
53 Au54Cl -167.708 -165.064 -167.708 0t
54 Au54Ar -165.092 -165.064 -165.092 0t
55 Au72H -221.327 -218.527 -221.327 2f
56 Au72He -218.530 -218.527 -218.530 2f
57 Au72Li -221.779 -218.527 -221.779 2f
58 Au72Be -222.351 -218.527 -222.351 2f
59 Au72B -223.965 -218.527 -223.965 2f
60 Au72C -224.158 -218.527 -224.158 2f
61 Au72N -223.660 -218.527 -223.660 2f
62 Au72O -223.013 -218.527 -223.013 2f
63 Au72F -221.958 -218.527 -221.958 2f
64 Au72Ne -218.548 -218.527 -218.548 2f
65 Au72Na -221.255 -218.527 -221.255 2f
66 Au72Mg -221.237 -218.527 -221.237 2f
67 AlAu72 -223.165 -218.527 -223.165 2f
68 Au72Si -224.334 -218.527 -224.334 2f
69 Au72P -224.246 -218.527 -224.246 2f
70 Au72S -222.981 -218.527 -222.981 2f
71 Au72Cl -221.174 -218.527 -221.174 2f
72 Au72Ar -218.555 -218.527 -218.555 2f
73 Au72H -221.601 -218.527 -221.601 3b
74 Au72He -218.530 -218.527 -218.530 3b
75 Au72Li -221.672 -218.527 -221.672 3b