ASE database

ID Formula atom_E slab_E str_E Username ads_E Mass
101 Au72Na -0.225 -218.527 -220.823 hecc -2.072 14204.583
102 Au72Mg -0.004 -218.527 -220.273 hecc -1.742 14205.898
103 AlAu72 -0.295 -218.527 -222.069 hecc -3.248 14208.575
104 Au72Si -0.830 -218.527 -223.274 hecc -3.917 14209.678
105 Au72P -1.888 -218.527 -223.458 hecc -3.043 14212.567
106 Au72S -0.945 -218.527 -223.028 hecc -3.556 14213.653
107 Au72Cl -0.243 -218.527 -221.679 hecc -2.909 14217.043
108 Au72Ar -0.025 -218.527 -218.551 hecc 0.002 14221.541
109 Au72H -1.117 -218.527 -221.776 hecc -2.132 14182.601
110 Au72He 0.002 -218.527 -218.530 hecc -0.005 14185.596
111 Au72Li -0.299 -218.527 -221.011 hecc -2.185 14188.533
112 Au72Be -0.039 -218.527 -220.240 hecc -1.673 14190.605
113 Au72B -0.349 -218.527 -221.920 hecc -3.045 14192.403
114 Au72C -1.248 -218.527 -222.605 hecc -2.830 14193.604
115 Au72N -3.124 -218.527 -222.623 hecc -0.972 14195.600
116 Au72O -1.533 -218.527 -222.603 hecc -2.543 14197.592
117 Au72F -0.424 -218.527 -222.249 hecc -3.298 14200.591
118 Au72Ne -0.013 -218.527 -218.546 hecc -0.007 14201.773
119 Au72Na -0.225 -218.527 -220.649 hecc -1.897 14204.583
120 Au72Mg -0.004 -218.527 -219.792 hecc -1.261 14205.898
121 AlAu72 -0.295 -218.527 -221.476 hecc -2.655 14208.575
122 Au72Si -0.830 -218.527 -222.175 hecc -2.818 14209.678
123 Au72P -1.888 -218.527 -222.119 hecc -1.704 14212.567
124 Au72S -0.945 -218.527 -221.946 hecc -2.475 14213.653
125 Au72Cl -0.243 -218.527 -221.439 hecc -2.669 14217.043