ASE database

ID Formula Username Number of atoms Dipole_val distance str_E
126 Au72Ar hecc 73 -0.163 3.566 -218.555
127 Au45H hecc 46 -0.104 0.774 -141.912
128 Au45He hecc 46 -0.016 3.648 -138.731
129 Au45Li hecc 46 -3.630 1.967 -141.636
130 Au45Be hecc 46 -1.015 1.201 -141.723
131 Au45B hecc 46 -0.111 0.511 -143.780
132 Au45C hecc 46 -0.020 0.514 -144.527
133 Au45N hecc 46 0.338 0.856 -144.187
134 Au45O hecc 46 0.650 1.014 -143.540
135 Au45F hecc 46 1.205 1.554 -142.249
136 Au45Ne hecc 46 -0.009 3.625 -138.747
137 Au45Na hecc 46 -5.167 2.334 -141.146
138 Au45Mg hecc 46 -3.300 1.893 -140.579
139 AlAu45 hecc 46 -1.354 1.708 -142.301
140 Au45Si hecc 46 -0.515 1.527 -143.667
141 Au45P hecc 46 -0.046 1.446 -143.967
142 Au45S hecc 46 0.293 1.516 -143.196
143 Au45Cl hecc 46 0.783 1.975 -141.422
144 Au45Ar hecc 46 -0.073 3.751 -138.753
145 Au45H hecc 46 -0.109 0.710 -141.936
146 Au45He hecc 46 -0.017 3.620 -138.730
147 Au45Li hecc 46 -3.625 1.971 -141.640
148 Au45Be hecc 46 -1.007 1.202 -141.741
149 Au45B hecc 46 -0.087 0.625 -143.821
150 Au45C hecc 46 0.084 0.681 -144.626