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Formula : Na
2
PtO
3
Space Group :
Fddd (70)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 18.838
b = 6.282
c = 9.062
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 24
Total number of electrons per primitive cell = 184
Band gap = 1.473 eV
Direct Gap = 1.523 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 25020
Band structure with spin-orbit coupling