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Formula : AuSe
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 8.355
b = 3.663
c = 6.262
α = 90.0
β = 106.03
γ = 90.0
Number of atoms per primitive cell = 4
Total number of electrons per primitive cell = 34
Band gap = 0.0 eV
Direct Gap = 0.719 eV
Metallicity = 0.042
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 73669
Band structure with spin-orbit coupling
Wannier charge center (WCC) at six time-reversal invariant planes