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Formula : Y
2
Si
3
Rh
Space Group :
P6_3/mmc (194)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 8.086
b = 8.086
c = 7.829
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 24
Total number of electrons per primitive cell = 204
Band gap = 0.0 eV
Direct Gap = 0.006 eV
Metallicity = 0.464
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 650353
Band structure with spin-orbit coupling