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Formula : Rb
2
As
2
Pt
Space Group :
Cmcm (63)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 6.729
b = 14.427
c = 6.292
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 10
Total number of electrons per primitive cell = 76
Band gap = 0.364 eV
Direct Gap = 0.394 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 107529
Band structure with spin-orbit coupling