ASE database

Displaying rows 126-31 out of 31
↓ ID ✕ Formula ✕ ads_site ✕ str_E ✕ slab_E ✕ Dipole_val ✕ Charge ✕ Number of atoms ✕ Volume ✕
126 Au72Ar 0t -218.555 -218.527 -0.163 0.000 73 3649.858
127 Au45H 2h -141.912 -138.685 -0.104 0.000 46 2322.637
128 Au45He 2h -138.731 -138.685 -0.016 0.000 46 2322.637
129 Au45Li 2h -141.636 -138.685 -3.630 0.000 46 2322.637
130 Au45Be 2h -141.723 -138.685 -1.015 0.000 46 2322.637
131 Au45B 2h -143.780 -138.685 -0.111 0.000 46 2322.637
132 Au45C 2h -144.527 -138.685 -0.020 0.000 46 2322.637
133 Au45N 2h -144.187 -138.685 0.338 0.000 46 2322.637
134 Au45O 2h -143.540 -138.685 0.650 0.000 46 2322.637
135 Au45F 2h -142.249 -138.685 1.205 0.000 46 2322.637
136 Au45Ne 2h -138.747 -138.685 -0.009 0.000 46 2322.637
137 Au45Na 2h -141.146 -138.685 -5.167 0.000 46 2322.637
138 Au45Mg 2h -140.579 -138.685 -3.300 0.000 46 2322.637
139 AlAu45 2h -142.301 -138.685 -1.354 0.000 46 2322.637
140 Au45Si 2h -143.667 -138.685 -0.515 0.000 46 2322.637
141 Au45P 2h -143.967 -138.685 -0.046 0.000 46 2322.637
142 Au45S 2h -143.196 -138.685 0.293 0.000 46 2322.637
143 Au45Cl 2h -141.422 -138.685 0.783 0.000 46 2322.637
144 Au45Ar 2h -138.753 -138.685 -0.073 0.000 46 2322.637
145 Au45H 3h -141.936 -138.685 -0.109 0.000 46 2322.637
146 Au45He 3h -138.730 -138.685 -0.017 0.000 46 2322.637
147 Au45Li 3h -141.640 -138.685 -3.625 0.000 46 2322.637
148 Au45Be 3h -141.741 -138.685 -1.007 0.000 46 2322.637
149 Au45B 3h -143.821 -138.685 -0.087 0.000 46 2322.637
150 Au45C 3h -144.626 -138.685 0.084 0.000 46 2322.637