ASE database

ID Formula Dipole_val PBC distance Maximum stress Magnetic moment
76 Au72Be -0.299 TTT 0.376 0.013 0.000
77 Au72B 0.021 TTT 0.004 0.012 0.000
78 Au72C 0.079 TTT -0.057 0.011 0.000
79 Au72N 0.957 TTT 1.019 0.012 0.000
80 Au72O 1.357 TTT 1.128 0.012 -0.000
81 Au72F 1.379 TTT 1.287 0.012 0.000
82 Au72Ne -0.009 TTT 3.219 0.013 0.000
83 Au72Na -3.991 TTT 1.783 0.014 -0.000
84 Au72Mg -2.085 TTT 1.048 0.013 -0.000
85 AlAu72 -0.667 TTT 0.555 0.013 0.000
86 Au72Si -0.217 TTT 0.496 0.013 -0.000
87 Au72P -0.015 TTT 0.638 0.012 -0.000
88 Au72S 0.997 TTT 1.456 0.012 -0.000
89 Au72Cl 1.110 TTT 1.702 0.012 -0.000
90 Au72Ar -0.110 TTT 3.199 0.013 -0.000
91 Au72H 0.080 TTT 1.011 0.013 0.000
92 Au72He -0.023 TTT 3.531 0.013 0.000
93 Au72Li -4.421 TTT 2.014 0.014 -0.000
94 Au72Be -1.284 TTT 0.794 0.012 -0.000
95 Au72B -0.273 TTT -1.286 0.012 -0.000
96 Au72C 0.571 TTT 0.883 0.012 -0.000
97 Au72N 1.173 TTT 1.085 0.013 0.000
98 Au72O 1.637 TTT 1.199 0.013 -0.000
99 Au72F 1.741 TTT 1.545 0.013 -0.000
100 Au72Ne -0.015 TTT 3.558 0.013 -0.000