Home
Formula : BeSiSb
2
Space Group :
I-42d (122)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 5.672
b = 5.672
c = 11.327
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 8
Total number of electrons per primitive cell = 36
Band gap = 0.0 eV
Direct Gap = 0.476 eV
Metallicity = 0.018
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 237068
Band structure with spin-orbit coupling
Wannier charge center (WCC) at six time-reversal invariant planes