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Formula : PbO
Space Group :
Pmab (57)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 5.876
b = 5.476
c = 4.743
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 8
Total number of electrons per primitive cell = 80
Band gap = 1.8544 eV
Direct Gap = 2.040 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 15402
Band structure with spin-orbit coupling