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Formula : Rb
2
Zn
3
O
4
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 15.235
b = 6.498
c = 5.74
α = 90.0
β = 101.43
γ = 90.0
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 156
Band gap = 1.5657 eV
Direct Gap = 1.566 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 40754
Band structure with spin-orbit coupling