ASE database

ID Formula Dipole_val distance ads_site atom_E Mass
176 Au45Si -0.472 1.508 1b -0.830 8891.581
177 Au45P -0.038 1.416 1b -1.890 8894.469
178 Au45S 0.251 1.463 1b -0.945 8895.556
179 Au45Cl 0.557 1.883 1b -0.243 8898.946
180 Au45Ar -0.084 3.705 1b -0.025 8903.444
181 Au45H 0.000 1.599 0t -1.117 8864.504
182 Au45He -0.020 3.653 0t 0.002 8867.498
183 Au45Li -4.589 2.153 0t -0.299 8870.436
184 Au45Be -1.616 2.000 0t -0.039 8872.508
185 Au45B -0.077 1.953 0t -0.349 8874.306
186 Au45C 0.556 1.857 0t -1.248 8875.507
187 Au45N 1.369 1.862 0t -3.124 8877.503
188 Au45O 2.145 1.917 0t -1.533 8879.495
189 Au45F 2.358 2.067 0t -0.424 8882.494
190 Au45Ne -0.014 3.687 0t -0.013 8883.675
191 Au45Na -5.688 2.444 0t -0.225 8886.485
192 Au45Mg -3.278 2.244 0t -0.004 8887.801
193 AlAu45 -1.925 2.365 0t -0.295 8890.477
194 Au45Si -1.123 2.020 0t -0.830 8891.581
195 Au45P -0.007 2.051 0t -1.888 8894.469
196 Au45S 1.375 2.248 0t -0.945 8895.556
197 Au45Cl 1.942 2.371 0t -0.243 8898.946
198 Au45Ar -0.093 3.749 0t -0.025 8903.444
199 Ag54H -0.074 0.464 2f -1.117 5825.891
200 Ag54He -0.020 3.629 2f 0.002 5828.885