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Formula : H
2
Se
Space Group :
Fm-3m (225)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 6.024
b = 6.024
c = 6.024
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 3
Total number of electrons per primitive cell = 8
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.366
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 24584
Band structure with spin-orbit coupling