ASE database

Displaying rows 101-8 out of 8
↓ ID ✕ Formula ✕ Username ✕ PBC ✕ Mass ✕ Energy ✕ Dipole_val ✕ str_E ✕
101 Au72Na hecc TTT 14204.583 -220.823 -6.067 -220.823
102 Au72Mg hecc TTT 14205.898 -220.273 -3.492 -220.273
103 AlAu72 hecc TTT 14208.575 -222.069 -1.522 -222.069
104 Au72Si hecc TTT 14209.678 -223.274 -0.561 -223.274
105 Au72P hecc TTT 14212.567 -223.458 0.405 -223.458
106 Au72S hecc TTT 14213.653 -223.028 1.306 -223.028
107 Au72Cl hecc TTT 14217.043 -221.679 1.286 -221.679
108 Au72Ar hecc TTT 14221.541 -218.551 -0.163 -218.551
109 Au72H hecc TTT 14182.601 -221.776 0.312 -221.776
110 Au72He hecc TTT 14185.596 -218.530 -0.024 -218.530
111 Au72Li hecc TTT 14188.533 -221.011 -5.675 -221.011
112 Au72Be hecc TTT 14190.605 -220.240 -1.886 -220.240
113 Au72B hecc TTT 14192.403 -221.920 0.023 -221.920
114 Au72C hecc TTT 14193.604 -222.605 0.775 -222.605
115 Au72N hecc TTT 14195.600 -222.623 1.821 -222.623
116 Au72O hecc TTT 14197.592 -222.603 2.735 -222.603
117 Au72F hecc TTT 14200.591 -222.249 2.894 -222.249
118 Au72Ne hecc TTT 14201.773 -218.546 -0.020 -218.546
119 Au72Na hecc TTT 14204.583 -220.649 -6.877 -220.649
120 Au72Mg hecc TTT 14205.898 -219.792 -3.881 -219.792
121 AlAu72 hecc TTT 14208.575 -221.476 -2.381 -221.476
122 Au72Si hecc TTT 14209.678 -222.175 -1.395 -222.175
123 Au72P hecc TTT 14212.567 -222.119 0.382 -222.119
124 Au72S hecc TTT 14213.653 -221.946 2.053 -221.946
125 Au72Cl hecc TTT 14217.043 -221.439 2.575 -221.439