Cu54C

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 564
Total energy -199.256 eV
Maximum force 0.010 eV/Ang
Maximum stress on unit cell 0.008 eV/Ang3
Sum of atomic masses in unit cell 3443.495 au
Age 14.510 months
Items
Dipole_val 0.460
ads_E -5.161
ads_site 1b
atom_E -1.250
ASE-calculator name vasp
Net charge in unit cell 0.000 |e|
distance 0.665
Chemical formula Cu54C
Magnetic moment 0.000 au
Number of atoms 55
Periodic boundary conditions [ True True True]
plane_index 111
slab_E -192.845
str_E -199.256
Random (unique) ID 10d2f773fd1caa02d840574b17e0fb4b
Username hecc
Volume of unit cell 1730.483 Ang3