Home
Formula : Cu
2
Se
Space Group :
Fm-3m (225)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 5.763
b = 5.763
c = 5.763
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 3
Total number of electrons per primitive cell = 28
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.022
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 56025
Band structure with spin-orbit coupling