ASE database

ID Formula Dipole_val PBC distance Maximum stress Magnetic moment Username
101 Au72Na -6.067 TTT 2.409 0.014 -0.000 hecc
102 Au72Mg -3.492 TTT 1.938 0.012 0.000 hecc
103 AlAu72 -1.522 TTT 1.701 0.012 -0.000 hecc
104 Au72Si -0.561 TTT 1.560 0.012 -0.000 hecc
105 Au72P 0.405 TTT 1.549 0.013 -0.003 hecc
106 Au72S 1.306 TTT 1.636 0.013 -0.000 hecc
107 Au72Cl 1.286 TTT 1.936 0.013 -0.000 hecc
108 Au72Ar -0.163 TTT 3.439 0.013 -0.000 hecc
109 Au72H 0.312 TTT 1.599 0.013 0.000 hecc
110 Au72He -0.024 TTT 3.610 0.013 0.000 hecc
111 Au72Li -5.675 TTT 2.237 0.014 -0.000 hecc
112 Au72Be -1.886 TTT 2.078 0.013 -0.004 hecc
113 Au72B 0.023 TTT 1.927 0.013 0.000 hecc
114 Au72C 0.775 TTT 1.835 0.013 0.001 hecc
115 Au72N 1.821 TTT 1.836 0.013 0.000 hecc
116 Au72O 2.735 TTT 1.889 0.013 -0.000 hecc
117 Au72F 2.894 TTT 2.038 0.012 0.000 hecc
118 Au72Ne -0.020 TTT 3.629 0.013 -0.000 hecc
119 Au72Na -6.877 TTT 2.544 0.014 -0.000 hecc
120 Au72Mg -3.881 TTT 2.384 0.013 0.000 hecc
121 AlAu72 -2.381 TTT 2.395 0.014 0.000 hecc
122 Au72Si -1.395 TTT 2.136 0.014 -0.000 hecc
123 Au72P 0.382 TTT 2.139 0.013 0.000 hecc
124 Au72S 2.053 TTT 2.212 0.013 -0.000 hecc
125 Au72Cl 2.575 TTT 2.331 0.012 -0.000 hecc