Ag45Al

Axis x y z Periodic
1 8.800 0.000 0.000 True
2 4.400 7.621 0.000 True
3 0.000 0.000 33.531 True
Lengths: 8.800 8.800 33.531
Angles: 90.000 90.000 60.000
band structure
dos
Key Value
Uniqe row ID 355
Total energy -119.187 eV
Maximum force 0.009 eV/Ang
Maximum stress on unit cell 0.005 eV/Ang3
Sum of atomic masses in unit cell 4881.051 au
Age 15.529 months
Items
Dipole_val -0.592
ads_E -2.574
ads_site 3h
atom_E -0.295
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 1.926
Chemical formula Ag45Al
Magnetic moment 0.000 au
Number of atoms 46
Periodic boundary conditions [ True True True]
plane_index 111
slab_E -116.318
str_E -119.187
Random (unique) ID 4e21da1c753c5d6d0766c08466bb0199
Username hecc
Volume of unit cell 2248.827 Ang3