↓ ID ✕ | Formula ✕ | PBC ✕ | Calculator ✕ | Energy ✕ | ads_site ✕ |
---|---|---|---|---|---|
101 | Au72Na | TTT | vasp | -220.823 | 1b |
102 | Au72Mg | TTT | vasp | -220.273 | 1b |
103 | AlAu72 | TTT | vasp | -222.069 | 1b |
104 | Au72Si | TTT | vasp | -223.274 | 1b |
105 | Au72P | TTT | vasp | -223.458 | 1b |
106 | Au72S | TTT | vasp | -223.028 | 1b |
107 | Au72Cl | TTT | vasp | -221.679 | 1b |
108 | Au72Ar | TTT | vasp | -218.551 | 1b |
109 | Au72H | TTT | vasp | -221.776 | 0t |
110 | Au72He | TTT | vasp | -218.530 | 0t |
111 | Au72Li | TTT | vasp | -221.011 | 0t |
112 | Au72Be | TTT | vasp | -220.240 | 0t |
113 | Au72B | TTT | vasp | -221.920 | 0t |
114 | Au72C | TTT | vasp | -222.605 | 0t |
115 | Au72N | TTT | vasp | -222.623 | 0t |
116 | Au72O | TTT | vasp | -222.603 | 0t |
117 | Au72F | TTT | vasp | -222.249 | 0t |
118 | Au72Ne | TTT | vasp | -218.546 | 0t |
119 | Au72Na | TTT | vasp | -220.649 | 0t |
120 | Au72Mg | TTT | vasp | -219.792 | 0t |
121 | AlAu72 | TTT | vasp | -221.476 | 0t |
122 | Au72Si | TTT | vasp | -222.175 | 0t |
123 | Au72P | TTT | vasp | -222.119 | 0t |
124 | Au72S | TTT | vasp | -221.946 | 0t |
125 | Au72Cl | TTT | vasp | -221.439 | 0t |