• Formula : Cs6InAs3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.469
    b = 6.356
    c = 12.208
    α = 90.0
    β = 101.27
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 164
  • Band gap = 0.8866 eV
    Direct Gap = 0.887 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 300145

Band structure with spin-orbit coupling