ASE database

Displaying rows 101-125 out of 594
↓ ID ✕ Formula ✕ Calculator ✕ Charge ✕ Mass ✕ Volume ✕ Username ✕ str_E ✕ Dipole_val ✕
101 Au72Na vasp 0.000 14204.583 3649.858 hecc -220.823 -6.067
102 Au72Mg vasp 0.000 14205.898 3649.858 hecc -220.273 -3.492
103 AlAu72 vasp 0.000 14208.575 3649.858 hecc -222.069 -1.522
104 Au72Si vasp 0.000 14209.678 3649.858 hecc -223.274 -0.561
105 Au72P vasp 0.000 14212.567 3649.858 hecc -223.458 0.405
106 Au72S vasp 0.000 14213.653 3649.858 hecc -223.028 1.306
107 Au72Cl vasp 0.000 14217.043 3649.858 hecc -221.679 1.286
108 Au72Ar vasp 0.000 14221.541 3649.858 hecc -218.551 -0.163
109 Au72H vasp 0.000 14182.601 3649.858 hecc -221.776 0.312
110 Au72He vasp 0.000 14185.596 3649.858 hecc -218.530 -0.024
111 Au72Li vasp 0.000 14188.533 3649.858 hecc -221.011 -5.675
112 Au72Be vasp 0.000 14190.605 3649.858 hecc -220.240 -1.886
113 Au72B vasp 0.000 14192.403 3649.858 hecc -221.920 0.023
114 Au72C vasp 0.000 14193.604 3649.858 hecc -222.605 0.775
115 Au72N vasp 0.000 14195.600 3649.858 hecc -222.623 1.821
116 Au72O vasp 0.000 14197.592 3649.858 hecc -222.603 2.735
117 Au72F vasp 0.000 14200.591 3649.858 hecc -222.249 2.894
118 Au72Ne vasp 0.000 14201.773 3649.858 hecc -218.546 -0.020
119 Au72Na vasp 0.000 14204.583 3649.858 hecc -220.649 -6.877
120 Au72Mg vasp 0.000 14205.898 3649.858 hecc -219.792 -3.881
121 AlAu72 vasp 0.000 14208.575 3649.858 hecc -221.476 -2.381
122 Au72Si vasp 0.000 14209.678 3649.858 hecc -222.175 -1.395
123 Au72P vasp 0.000 14212.567 3649.858 hecc -222.119 0.382
124 Au72S vasp 0.000 14213.653 3649.858 hecc -221.946 2.053
125 Au72Cl vasp 0.000 14217.043 3649.858 hecc -221.439 2.575