Cu54Mg

Axis x y z Periodic
1 7.713 0.000 0.000 True
2 3.857 6.680 0.000 True
3 0.000 0.000 33.588 True
Lengths: 7.713 7.713 33.588
Angles: 90.000 90.000 60.000
band structure
dos
Key Value
Uniqe row ID 570
Total energy -194.540 eV
Maximum force 0.010 eV/Ang
Maximum stress on unit cell 0.008 eV/Ang3
Sum of atomic masses in unit cell 3455.789 au
Age 14.511 months
Items
Dipole_val -2.577
ads_E -1.691
ads_site 1b
atom_E -0.004
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 1.991
Chemical formula Cu54Mg
Magnetic moment 0.000 au
Number of atoms 55
Periodic boundary conditions [ True True True]
plane_index 111
slab_E -192.845
str_E -194.540
Random (unique) ID f4313c01d93200460b8f612b3c1e3381
Username hecc
Volume of unit cell 1730.483 Ang3