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Formula : CdP
2
Space Group :
Pna2_1 (33)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 9.9
b = 5.408
c = 5.171
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 88
Band gap = 1.4322 eV
Direct Gap = 1.723 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 42732
Band structure with spin-orbit coupling