ASE database

ID Formula atom_E Volume Age Maximum stress PBC Mass Energy
151 Au45N -3.124 2322.637 15M 0.012 TTT 8877.503 -144.417
152 Au45O -1.533 2322.637 15M 0.011 TTT 8879.495 -143.780
153 Au45F -0.424 2322.637 15M 0.012 TTT 8882.494 -142.326
154 Au45Ne -0.013 2322.637 15M 0.015 TTT 8883.675 -138.747
155 Au45Na -0.225 2322.637 15M 0.015 TTT 8886.485 -141.145
156 Au45Mg -0.004 2322.637 15M 0.014 TTT 8887.801 -140.578
157 AlAu45 -0.295 2322.637 15M 0.013 TTT 8890.477 -142.336
158 Au45Si -0.830 2322.637 15M 0.013 TTT 8891.581 -143.770
159 Au45P -1.888 2322.637 15M 0.012 TTT 8894.469 -144.134
160 Au45S -0.945 2322.637 15M 0.011 TTT 8895.556 -143.378
161 Au45Cl -0.243 2322.637 15M 0.012 TTT 8898.946 -141.464
162 Au45Ar -0.025 2322.637 15M 0.015 TTT 8903.444 -138.748
163 Au45H -1.120 2322.637 15M 0.014 TTT 8864.504 -141.898
164 Au45He 0.002 2322.637 15M 0.015 TTT 8867.498 -138.730
165 Au45Li -0.299 2322.637 15M 0.015 TTT 8870.436 -141.601
166 Au45Be -0.039 2322.637 15M 0.014 TTT 8872.508 -141.667
167 Au45B -0.349 2322.637 15M 0.011 TTT 8874.306 -143.820
168 Au45C -1.250 2322.637 15M 0.012 TTT 8875.507 -144.625
169 Au45N -3.120 2322.637 15M 0.012 TTT 8877.503 -144.416
170 Au45O -1.530 2322.637 15M 0.011 TTT 8879.495 -143.778
171 Au45F -0.424 2322.637 15M 0.012 TTT 8882.494 -142.323
172 Au45Ne -0.013 2322.637 15M 0.015 TTT 8883.675 -138.747
173 Au45Na -0.225 2322.637 15M 0.015 TTT 8886.485 -141.123
174 Au45Mg -0.004 2322.637 15M 0.014 TTT 8887.801 -140.532
175 AlAu45 -0.295 2322.637 15M 0.013 TTT 8890.477 -142.335