ASE database

ID Formula ads_site Number of atoms atom_E ads_E str_E
51 Au54P 0t 55 -1.888 -1.663 -168.614
52 Au54S 0t 55 -0.945 -2.279 -168.287
53 Au54Cl 0t 55 -0.243 -2.402 -167.708
54 Au54Ar 0t 55 -0.025 -0.003 -165.092
55 Au72H 2f 73 -1.117 -1.683 -221.327
56 Au72He 2f 73 0.002 -0.005 -218.530
57 Au72Li 2f 73 -0.299 -2.954 -221.779
58 Au72Be 2f 73 -0.039 -3.785 -222.351
59 Au72B 2f 73 -0.349 -5.089 -223.965
60 Au72C 2f 73 -1.248 -4.383 -224.158
61 Au72N 2f 73 -3.124 -2.009 -223.660
62 Au72O 2f 73 -1.533 -2.954 -223.013
63 Au72F 2f 73 -0.424 -3.008 -221.958
64 Au72Ne 2f 73 -0.013 -0.008 -218.548
65 Au72Na 2f 73 -0.225 -2.503 -221.255
66 Au72Mg 2f 73 -0.004 -2.706 -221.237
67 AlAu72 2f 73 -0.295 -4.343 -223.165
68 Au72Si 2f 73 -0.830 -4.977 -224.334
69 Au72P 2f 73 -1.888 -3.831 -224.246
70 Au72S 2f 73 -0.945 -3.509 -222.981
71 Au72Cl 2f 73 -0.243 -2.405 -221.174
72 Au72Ar 2f 73 -0.025 -0.002 -218.555
73 Au72H 3b 73 -1.117 -1.957 -221.601
74 Au72He 3b 73 0.002 -0.005 -218.530
75 Au72Li 3b 73 -0.299 -2.846 -221.672