Ag45H

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 361
Total energy -119.410 eV
Maximum force 0.005 eV/Ang
Maximum stress on unit cell 0.005 eV/Ang3
Sum of atomic masses in unit cell 4855.077 au
Age 14.547 months
Items
Dipole_val 0.067
ads_E -1.972
ads_site 1b
atom_E -1.120
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 1.075
Chemical formula Ag45H
Magnetic moment -0.000 au
Number of atoms 46
Periodic boundary conditions [ True True True]
plane_index 111
slab_E -116.318
str_E -119.410
Random (unique) ID d1a02bc7fa54dfbbe6c9a7b24ac71b3f
Username hecc
Volume of unit cell 2248.827 Ang3