ASE database

ID Formula distance Dipole_val PBC Username Energy
76 Au72Be 0.376 -0.299 TTT hecc -222.247
77 Au72B 0.004 0.021 TTT hecc -224.037
78 Au72C -0.057 0.079 TTT hecc -224.356
79 Au72N 1.019 0.957 TTT hecc -223.581
80 Au72O 1.128 1.357 TTT hecc -223.229
81 Au72F 1.287 1.379 TTT hecc -222.245
82 Au72Ne 3.219 -0.009 TTT hecc -218.548
83 Au72Na 1.783 -3.991 TTT hecc -221.145
84 Au72Mg 1.048 -2.085 TTT hecc -220.986
85 AlAu72 0.555 -0.667 TTT hecc -222.861
86 Au72Si 0.496 -0.217 TTT hecc -223.955
87 Au72P 0.638 -0.015 TTT hecc -223.843
88 Au72S 1.456 0.997 TTT hecc -222.907
89 Au72Cl 1.702 1.110 TTT hecc -221.497
90 Au72Ar 3.199 -0.110 TTT hecc -218.552
91 Au72H 1.011 0.080 TTT hecc -221.957
92 Au72He 3.531 -0.023 TTT hecc -218.530
93 Au72Li 2.014 -4.421 TTT hecc -221.258
94 Au72Be 0.794 -1.284 TTT hecc -221.998
95 Au72B -1.286 -0.273 TTT hecc -224.163
96 Au72C 0.883 0.571 TTT hecc -224.114
97 Au72N 1.085 1.173 TTT hecc -223.914
98 Au72O 1.199 1.637 TTT hecc -223.523
99 Au72F 1.545 1.741 TTT hecc -222.402
100 Au72Ne 3.558 -0.015 TTT hecc -218.547