ASE database

ID Formula Energy Number of atoms atom_E str_E
76 Au72Be -222.247 73 -0.039 -222.247
77 Au72B -224.037 73 -0.349 -224.037
78 Au72C -224.356 73 -1.248 -224.356
79 Au72N -223.581 73 -3.124 -223.581
80 Au72O -223.229 73 -1.533 -223.229
81 Au72F -222.245 73 -0.424 -222.245
82 Au72Ne -218.548 73 -0.013 -218.548
83 Au72Na -221.145 73 -0.225 -221.145
84 Au72Mg -220.986 73 -0.004 -220.986
85 AlAu72 -222.861 73 -0.295 -222.861
86 Au72Si -223.955 73 -0.830 -223.955
87 Au72P -223.843 73 -1.888 -223.843
88 Au72S -222.907 73 -0.945 -222.907
89 Au72Cl -221.497 73 -0.243 -221.497
90 Au72Ar -218.552 73 -0.025 -218.552
91 Au72H -221.957 73 -1.117 -221.957
92 Au72He -218.530 73 0.002 -218.530
93 Au72Li -221.258 73 -0.299 -221.258
94 Au72Be -221.998 73 -0.039 -221.998
95 Au72B -224.163 73 -0.349 -224.163
96 Au72C -224.114 73 -1.248 -224.114
97 Au72N -223.914 73 -3.124 -223.914
98 Au72O -223.523 73 -1.533 -223.523
99 Au72F -222.402 73 -0.424 -222.402
100 Au72Ne -218.547 73 -0.013 -218.547