Ag45F

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 351
Total energy -120.657 eV
Maximum force 0.007 eV/Ang
Maximum stress on unit cell 0.004 eV/Ang3
Sum of atomic masses in unit cell 4873.067 au
Age 14.548 months
Items
Dipole_val 1.110
ads_E -3.916
ads_site 3h
atom_E -0.424
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 1.506
Chemical formula Ag45F
Magnetic moment -0.000 au
Number of atoms 46
Periodic boundary conditions [ True True True]
plane_index 111
slab_E -116.318
str_E -120.657
Random (unique) ID 6ad74d12e0a332653e61ed7533e9fa7b
Username hecc
Volume of unit cell 2248.827 Ang3