• Formula : KCu4AsS4
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.636
    b = 6.396
    c = 9.579
    α = 90.0
    β = 103.48
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 164
  • Band gap = 1.3981 eV
    Direct Gap = 1.462 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 75430

Band structure with spin-orbit coupling