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Formula : Sr
2
CdWO
6
Space Group :
Pmm2 (25)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 8.1673
b = 5.7436
c = 5.8188
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 192
Band gap = 2.9479 eV
Direct Gap = 3.050 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 71840
Band structure with spin-orbit coupling