ASE database

ID Formula ads_site atom_E Magnetic moment Energy Mass PBC Charge
151 Au45N 3h -3.124 -0.000 -144.417 8877.503 TTT 0.000
152 Au45O 3h -1.533 -0.000 -143.780 8879.495 TTT 0.000
153 Au45F 3h -0.424 0.000 -142.326 8882.494 TTT 0.000
154 Au45Ne 3h -0.013 0.000 -138.747 8883.675 TTT 0.000
155 Au45Na 3h -0.225 -0.000 -141.145 8886.485 TTT 0.000
156 Au45Mg 3h -0.004 0.000 -140.578 8887.801 TTT 0.000
157 AlAu45 3h -0.295 0.000 -142.336 8890.477 TTT 0.000
158 Au45Si 3h -0.830 0.000 -143.770 8891.581 TTT 0.000
159 Au45P 3h -1.888 0.000 -144.134 8894.469 TTT 0.000
160 Au45S 3h -0.945 -0.000 -143.378 8895.556 TTT 0.000
161 Au45Cl 3h -0.243 0.000 -141.464 8898.946 TTT 0.000
162 Au45Ar 3h -0.025 0.000 -138.748 8903.444 TTT 0.000
163 Au45H 1b -1.120 0.000 -141.898 8864.504 TTT 0.000
164 Au45He 1b 0.002 -0.000 -138.730 8867.498 TTT 0.000
165 Au45Li 1b -0.299 0.000 -141.601 8870.436 TTT 0.000
166 Au45Be 1b -0.039 0.000 -141.667 8872.508 TTT 0.000
167 Au45B 1b -0.349 0.000 -143.820 8874.306 TTT 0.000
168 Au45C 1b -1.250 -0.000 -144.625 8875.507 TTT 0.000
169 Au45N 1b -3.120 0.000 -144.416 8877.503 TTT 0.000
170 Au45O 1b -1.530 -0.000 -143.778 8879.495 TTT 0.000
171 Au45F 1b -0.424 0.000 -142.323 8882.494 TTT 0.000
172 Au45Ne 1b -0.013 0.000 -138.747 8883.675 TTT 0.000
173 Au45Na 1b -0.225 0.000 -141.123 8886.485 TTT 0.000
174 Au45Mg 1b -0.004 -0.000 -140.532 8887.801 TTT 0.000
175 AlAu45 1b -0.295 0.000 -142.335 8890.477 TTT 0.000