• Formula : AlSeBr7
  • Space Group : Pc (7)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 6.707
    b = 6.639
    c = 14.28
    α = 90.0
    β = 101.21
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 116
  • Band gap = 2.1631 eV
    Direct Gap = 2.164 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 401396

Band structure with spin-orbit coupling