• Formula : K(SbSe2)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.373
    b = 7.046
    c = 9.554
    α = 81.54
    β = 85.03
    γ = 74.02
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 86
  • Band gap = 1.0916 eV
    Direct Gap = 1.375 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 402886

Band structure with spin-orbit coupling