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Formula : Si
5
Rh
4
Space Group :
P2_1/m (11)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 12.335
b = 3.508
c = 5.924
α = 90.0
β = 100.18
γ = 90.0
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 176
Band gap = 0.0 eV
Direct Gap = 0.009 eV
Metallicity = 0.857
Topological Z2 indices ν = (1;011)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 52066
Band structure with spin-orbit coupling