Home
Formula : BaReH
9
Space Group :
P6_3/mmc (194)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 5.287
b = 5.287
c = 9.323
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 22
Total number of electrons per primitive cell = 68
Band gap = 2.9946 eV
Direct Gap = 2.995 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 75460
Band structure with spin-orbit coupling