ASE database

ID Formula ads_site str_E distance Username Calculator
151 Au45N 3h -144.417 0.892 hecc vasp
152 Au45O 3h -143.780 1.002 hecc vasp
153 Au45F 3h -142.326 1.427 hecc vasp
154 Au45Ne 3h -138.747 3.606 hecc vasp
155 Au45Na 3h -141.145 2.335 hecc vasp
156 Au45Mg 3h -140.578 1.904 hecc vasp
157 AlAu45 3h -142.336 1.707 hecc vasp
158 Au45Si 3h -143.770 1.512 hecc vasp
159 Au45P 3h -144.134 1.417 hecc vasp
160 Au45S 3h -143.378 1.463 hecc vasp
161 Au45Cl 3h -141.464 1.884 hecc vasp
162 Au45Ar 3h -138.748 3.632 hecc vasp
163 Au45H 1b -141.898 0.964 hecc vasp
164 Au45He 1b -138.730 3.618 hecc vasp
165 Au45Li 1b -141.601 1.915 hecc vasp
166 Au45Be 1b -141.667 1.021 hecc vasp
167 Au45B 1b -143.820 0.615 hecc vasp
168 Au45C 1b -144.625 0.677 hecc vasp
169 Au45N 1b -144.416 0.890 hecc vasp
170 Au45O 1b -143.778 1.001 hecc vasp
171 Au45F 1b -142.323 1.431 hecc vasp
172 Au45Ne 1b -138.747 3.629 hecc vasp
173 Au45Na 1b -141.123 2.311 hecc vasp
174 Au45Mg 1b -140.532 1.757 hecc vasp
175 AlAu45 1b -142.335 1.702 hecc vasp