• Formula : GeBr4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.183
    b = 6.779
    c = 10.292
    α = 90.0
    β = 102.53
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 128
  • Band gap = 3.0218 eV
    Direct Gap = 3.068 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of germanium tetrabromide, \b-GeBr~4~, low temperature modification ,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 220, 524 (2005)

Band structure with spin-orbit coupling