ASE database

ID Formula str_E plane_index Volume Charge atom_E ads_E
101 Au72Na -220.823 110 3649.858 0.000 -0.225 -2.072
102 Au72Mg -220.273 110 3649.858 0.000 -0.004 -1.742
103 AlAu72 -222.069 110 3649.858 0.000 -0.295 -3.248
104 Au72Si -223.274 110 3649.858 0.000 -0.830 -3.917
105 Au72P -223.458 110 3649.858 0.000 -1.888 -3.043
106 Au72S -223.028 110 3649.858 0.000 -0.945 -3.556
107 Au72Cl -221.679 110 3649.858 0.000 -0.243 -2.909
108 Au72Ar -218.551 110 3649.858 0.000 -0.025 0.002
109 Au72H -221.776 110 3649.858 0.000 -1.117 -2.132
110 Au72He -218.530 110 3649.858 0.000 0.002 -0.005
111 Au72Li -221.011 110 3649.858 0.000 -0.299 -2.185
112 Au72Be -220.240 110 3649.858 0.000 -0.039 -1.673
113 Au72B -221.920 110 3649.858 0.000 -0.349 -3.045
114 Au72C -222.605 110 3649.858 0.000 -1.248 -2.830
115 Au72N -222.623 110 3649.858 0.000 -3.124 -0.972
116 Au72O -222.603 110 3649.858 0.000 -1.533 -2.543
117 Au72F -222.249 110 3649.858 0.000 -0.424 -3.298
118 Au72Ne -218.546 110 3649.858 0.000 -0.013 -0.007
119 Au72Na -220.649 110 3649.858 0.000 -0.225 -1.897
120 Au72Mg -219.792 110 3649.858 0.000 -0.004 -1.261
121 AlAu72 -221.476 110 3649.858 0.000 -0.295 -2.655
122 Au72Si -222.175 110 3649.858 0.000 -0.830 -2.818
123 Au72P -222.119 110 3649.858 0.000 -1.888 -1.704
124 Au72S -221.946 110 3649.858 0.000 -0.945 -2.475
125 Au72Cl -221.439 110 3649.858 0.000 -0.243 -2.669