• Formula : GaAs
  • Space Group : I2mm (44)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.92
    b = 4.79
    c = 2.635
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 18
  • Band gap = 0.0 eV
    Direct Gap = 0.036 eV
    Metallicity = 0.463
    Topological Z2 indices ν = (0;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 43950

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes