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Formula : Re
2
Si
Space Group :
P2_1/c (14)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 5.3898
b = 9.6019
c = 6.4444
α = 90.0
β = 94.214
γ = 90.0
Number of atoms per primitive cell = 24
Total number of electrons per primitive cell = 272
Band gap = 0.0 eV
Direct Gap = 0.021 eV
Metallicity = 0.505
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 57480
Band structure with spin-orbit coupling