ASE database

ID Formula str_E atom_E slab_E Maximum stress
101 Au72Na -220.823 -0.225 -218.527 0.014
102 Au72Mg -220.273 -0.004 -218.527 0.012
103 AlAu72 -222.069 -0.295 -218.527 0.012
104 Au72Si -223.274 -0.830 -218.527 0.012
105 Au72P -223.458 -1.888 -218.527 0.013
106 Au72S -223.028 -0.945 -218.527 0.013
107 Au72Cl -221.679 -0.243 -218.527 0.013
108 Au72Ar -218.551 -0.025 -218.527 0.013
109 Au72H -221.776 -1.117 -218.527 0.013
110 Au72He -218.530 0.002 -218.527 0.013
111 Au72Li -221.011 -0.299 -218.527 0.014
112 Au72Be -220.240 -0.039 -218.527 0.013
113 Au72B -221.920 -0.349 -218.527 0.013
114 Au72C -222.605 -1.248 -218.527 0.013
115 Au72N -222.623 -3.124 -218.527 0.013
116 Au72O -222.603 -1.533 -218.527 0.013
117 Au72F -222.249 -0.424 -218.527 0.012
118 Au72Ne -218.546 -0.013 -218.527 0.013
119 Au72Na -220.649 -0.225 -218.527 0.014
120 Au72Mg -219.792 -0.004 -218.527 0.013
121 AlAu72 -221.476 -0.295 -218.527 0.014
122 Au72Si -222.175 -0.830 -218.527 0.014
123 Au72P -222.119 -1.888 -218.527 0.013
124 Au72S -221.946 -0.945 -218.527 0.013
125 Au72Cl -221.439 -0.243 -218.527 0.012