ASE database

ID Formula Username Mass Calculator slab_E str_E
176 Au45Si hecc 8891.581 vasp -138.685 -143.769
177 Au45P hecc 8894.469 vasp -138.685 -144.133
178 Au45S hecc 8895.556 vasp -138.685 -143.377
179 Au45Cl hecc 8898.946 vasp -138.685 -141.462
180 Au45Ar hecc 8903.444 vasp -138.685 -138.753
181 Au45H hecc 8864.504 vasp -138.685 -141.769
182 Au45He hecc 8867.498 vasp -138.685 -138.730
183 Au45Li hecc 8870.436 vasp -138.685 -141.321
184 Au45Be hecc 8872.508 vasp -138.685 -140.290
185 Au45B hecc 8874.306 vasp -138.685 -141.844
186 Au45C hecc 8875.507 vasp -138.685 -142.405
187 Au45N hecc 8877.503 vasp -138.685 -142.385
188 Au45O hecc 8879.495 vasp -138.685 -142.393
189 Au45F hecc 8882.494 vasp -138.685 -142.103
190 Au45Ne hecc 8883.675 vasp -138.685 -138.746
191 Au45Na hecc 8886.485 vasp -138.685 -140.948
192 Au45Mg hecc 8887.801 vasp -138.685 -139.972
193 AlAu45 hecc 8890.477 vasp -138.685 -141.642
194 Au45Si hecc 8891.581 vasp -138.685 -142.301
195 Au45P hecc 8894.469 vasp -138.685 -142.141
196 Au45S hecc 8895.556 vasp -138.685 -141.836
197 Au45Cl hecc 8898.946 vasp -138.685 -141.271
198 Au45Ar hecc 8903.444 vasp -138.685 -138.752
199 Ag54H hecc 5825.891 vasp -138.956 -142.041
200 Ag54He hecc 5828.885 vasp -138.956 -138.958