ASE database

ID slab_E str_E Magnetic moment Number of atoms Formula Age PBC atom_E
76 -218.527 -222.247 0.000 73 Au72Be 15M TTT -0.039
77 -218.527 -224.037 0.000 73 Au72B 15M TTT -0.349
78 -218.527 -224.356 0.000 73 Au72C 15M TTT -1.248
79 -218.527 -223.581 0.000 73 Au72N 15M TTT -3.124
80 -218.527 -223.229 -0.000 73 Au72O 15M TTT -1.533
81 -218.527 -222.245 0.000 73 Au72F 15M TTT -0.424
82 -218.527 -218.548 0.000 73 Au72Ne 15M TTT -0.013
83 -218.527 -221.145 -0.000 73 Au72Na 15M TTT -0.225
84 -218.527 -220.986 -0.000 73 Au72Mg 15M TTT -0.004
85 -218.527 -222.861 0.000 73 AlAu72 15M TTT -0.295
86 -218.527 -223.955 -0.000 73 Au72Si 15M TTT -0.830
87 -218.527 -223.843 -0.000 73 Au72P 15M TTT -1.888
88 -218.527 -222.907 -0.000 73 Au72S 15M TTT -0.945
89 -218.527 -221.497 -0.000 73 Au72Cl 15M TTT -0.243
90 -218.527 -218.552 -0.000 73 Au72Ar 15M TTT -0.025
91 -218.527 -221.957 0.000 73 Au72H 15M TTT -1.117
92 -218.527 -218.530 0.000 73 Au72He 15M TTT 0.002
93 -218.527 -221.258 -0.000 73 Au72Li 15M TTT -0.299
94 -218.527 -221.998 -0.000 73 Au72Be 15M TTT -0.039
95 -218.527 -224.163 -0.000 73 Au72B 15M TTT -0.349
96 -218.527 -224.114 -0.000 73 Au72C 15M TTT -1.248
97 -218.527 -223.914 0.000 73 Au72N 15M TTT -3.124
98 -218.527 -223.523 -0.000 73 Au72O 15M TTT -1.533
99 -218.527 -222.402 -0.000 73 Au72F 15M TTT -0.424
100 -218.527 -218.547 -0.000 73 Au72Ne 15M TTT -0.013