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Formula : Y
3
Si
3
Rh
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 10.52
b = 4.206
c = 13.89
α = 90.0
β = 114.46
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 124
Band gap = 0.0 eV
Direct Gap = 0.002 eV
Metallicity = 0.528
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 52079
Band structure with spin-orbit coupling