ASE database

Displaying rows 176-127 out of 127
↓ ID ✕ Formula ✕ Charge ✕ Magnetic moment ✕ slab_E ✕ atom_E ✕ Maximum force ✕ PBC ✕
176 Au45Si 0.000 0.000 -138.685 -0.830 0.010 TTT
177 Au45P 0.000 -0.000 -138.685 -1.890 0.008 TTT
178 Au45S 0.000 -0.000 -138.685 -0.945 0.010 TTT
179 Au45Cl 0.000 0.000 -138.685 -0.243 0.009 TTT
180 Au45Ar 0.000 0.000 -138.685 -0.025 0.008 TTT
181 Au45H 0.000 0.000 -138.685 -1.117 0.009 TTT
182 Au45He 0.000 -0.000 -138.685 0.002 0.010 TTT
183 Au45Li 0.000 0.000 -138.685 -0.299 0.009 TTT
184 Au45Be 0.000 0.000 -138.685 -0.039 0.008 TTT
185 Au45B 0.000 -0.000 -138.685 -0.349 0.003 TTT
186 Au45C 0.000 0.001 -138.685 -1.248 0.008 TTT
187 Au45N 0.000 -0.000 -138.685 -3.124 0.007 TTT
188 Au45O 0.000 0.000 -138.685 -1.533 0.010 TTT
189 Au45F 0.000 -0.000 -138.685 -0.424 0.007 TTT
190 Au45Ne 0.000 -0.000 -138.685 -0.013 0.007 TTT
191 Au45Na 0.000 0.000 -138.685 -0.225 0.006 TTT
192 Au45Mg 0.000 0.000 -138.685 -0.004 0.008 TTT
193 AlAu45 0.000 0.000 -138.685 -0.295 0.007 TTT
194 Au45Si 0.000 0.000 -138.685 -0.830 0.010 TTT
195 Au45P 0.000 -0.000 -138.685 -1.888 0.007 TTT
196 Au45S 0.000 0.000 -138.685 -0.945 0.008 TTT
197 Au45Cl 0.000 -0.000 -138.685 -0.243 0.008 TTT
198 Au45Ar 0.000 -0.000 -138.685 -0.025 0.009 TTT
199 Ag54H 0.000 -0.000 -138.956 -1.117 0.007 TTT
200 Ag54He 0.000 0.000 -138.956 0.002 0.010 TTT