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Formula : SrBPd
4
Space Group :
Pnma (62)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 6.0014
b = 5.5041
c = 11.8723
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 24
Total number of electrons per primitive cell = 340
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.582
Topological Z2 indices ν = (1;011)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 247263
Band structure with spin-orbit coupling