• Formula : GaSeBr7
  • Space Group : Pc (7)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 6.594
    b = 6.547
    c = 14.316
    α = 90.0
    β = 101.1
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 136
  • Band gap = 2.2271 eV
    Direct Gap = 2.259 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of tribromoselenium(IV) tetrabromogallate(III), [SeBr~3~][GaBr~4~],
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 215, 351 (2000)

Band structure with spin-orbit coupling