Ag54Al

Axis x y z Periodic
1 8.800 0.000 0.000 True
2 0.000 8.800 0.000 True
3 0.000 0.000 33.187 True
Lengths: 8.800 8.800 33.187
Angles: 90.000 90.000 90.000
band structure
dos
Key Value
Uniqe row ID 229
Total energy -141.653 eV
Maximum force 0.007 eV/Ang
Maximum stress on unit cell 0.006 eV/Ang3
Sum of atomic masses in unit cell 5851.864 au
Age 13.224 months
Items
Dipole_val -0.392
ads_E -2.403
ads_site 1b
atom_E -0.295
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 1.972
Chemical formula Ag54Al
Magnetic moment 0.000 au
Number of atoms 55
Periodic boundary conditions [ True True True]
plane_index 100
slab_E -138.956
str_E -141.653
Random (unique) ID 2c31fbeda128c7d29933599a74f2b0bc
Username hecc
Volume of unit cell 2570.088 Ang3