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Formula : As
2
Rh
Space Group :
P2_1/c (14)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 6.0486
b = 6.0856
c = 6.1327
α = 90.0
β = 114.3
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 108
Band gap = 0.3743 eV
Direct Gap = 0.424 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 657340
Band structure with spin-orbit coupling