ASE database

Displaying rows 126-150 out of 594
↓ ID ✕ Formula ✕ Calculator ✕ PBC ✕ Username ✕ ads_E ✕ Number of atoms ✕ ads_site ✕
126 Au72Ar vasp TTT hecc -0.003 73 0t
127 Au45H vasp TTT hecc -2.108 46 2h
128 Au45He vasp TTT hecc -0.048 46 2h
129 Au45Li vasp TTT hecc -2.653 46 2h
130 Au45Be vasp TTT hecc -2.999 46 2h
131 Au45B vasp TTT hecc -4.746 46 2h
132 Au45C vasp TTT hecc -4.592 46 2h
133 Au45N vasp TTT hecc -2.382 46 2h
134 Au45O vasp TTT hecc -3.325 46 2h
135 Au45F vasp TTT hecc -3.141 46 2h
136 Au45Ne vasp TTT hecc -0.050 46 2h
137 Au45Na vasp TTT hecc -2.236 46 2h
138 Au45Mg vasp TTT hecc -1.890 46 2h
139 AlAu45 vasp TTT hecc -3.321 46 2h
140 Au45Si vasp TTT hecc -4.153 46 2h
141 Au45P vasp TTT hecc -3.392 46 2h
142 Au45S vasp TTT hecc -3.566 46 2h
143 Au45Cl vasp TTT hecc -2.495 46 2h
144 Au45Ar vasp TTT hecc -0.043 46 2h
145 Au45H vasp TTT hecc -2.134 46 3h
146 Au45He vasp TTT hecc -0.048 46 3h
147 Au45Li vasp TTT hecc -2.656 46 3h
148 Au45Be vasp TTT hecc -3.017 46 3h
149 Au45B vasp TTT hecc -4.788 46 3h
150 Au45C vasp TTT hecc -4.694 46 3h