ASE database

Displaying rows 101-125 out of 594
↓ ID ✕ Formula ✕ Charge ✕ Maximum stress ✕ Magnetic moment ✕ Energy ✕ Maximum force ✕ Mass ✕ Calculator ✕ ads_E ✕
101 Au72Na 0.000 0.014 -0.000 -220.823 0.009 14204.583 vasp -2.072
102 Au72Mg 0.000 0.012 0.000 -220.273 0.008 14205.898 vasp -1.742
103 AlAu72 0.000 0.012 -0.000 -222.069 0.007 14208.575 vasp -3.248
104 Au72Si 0.000 0.012 -0.000 -223.274 0.006 14209.678 vasp -3.917
105 Au72P 0.000 0.013 -0.003 -223.458 0.009 14212.567 vasp -3.043
106 Au72S 0.000 0.013 -0.000 -223.028 0.007 14213.653 vasp -3.556
107 Au72Cl 0.000 0.013 -0.000 -221.679 0.009 14217.043 vasp -2.909
108 Au72Ar 0.000 0.013 -0.000 -218.551 0.007 14221.541 vasp 0.002
109 Au72H 0.000 0.013 0.000 -221.776 0.006 14182.601 vasp -2.132
110 Au72He 0.000 0.013 0.000 -218.530 0.008 14185.596 vasp -0.005
111 Au72Li 0.000 0.014 -0.000 -221.011 0.008 14188.533 vasp -2.185
112 Au72Be 0.000 0.013 -0.004 -220.240 0.006 14190.605 vasp -1.673
113 Au72B 0.000 0.013 0.000 -221.920 0.005 14192.403 vasp -3.045
114 Au72C 0.000 0.013 0.001 -222.605 0.006 14193.604 vasp -2.830
115 Au72N 0.000 0.013 0.000 -222.623 0.008 14195.600 vasp -0.972
116 Au72O 0.000 0.013 -0.000 -222.603 0.008 14197.592 vasp -2.543
117 Au72F 0.000 0.012 0.000 -222.249 0.007 14200.591 vasp -3.298
118 Au72Ne 0.000 0.013 -0.000 -218.546 0.009 14201.773 vasp -0.007
119 Au72Na 0.000 0.014 -0.000 -220.649 0.009 14204.583 vasp -1.897
120 Au72Mg 0.000 0.013 0.000 -219.792 0.009 14205.898 vasp -1.261
121 AlAu72 0.000 0.014 0.000 -221.476 0.010 14208.575 vasp -2.655
122 Au72Si 0.000 0.014 -0.000 -222.175 0.006 14209.678 vasp -2.818
123 Au72P 0.000 0.013 0.000 -222.119 0.034 14212.567 vasp -1.704
124 Au72S 0.000 0.013 -0.000 -221.946 0.010 14213.653 vasp -2.475
125 Au72Cl 0.000 0.012 -0.000 -221.439 0.006 14217.043 vasp -2.669