• Formula : K(SnSe2)2
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.436
    b = 18.934
    c = 7.417
    α = 90.0
    β = 96.26
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 122
  • Band gap = 1.3797 eV
    Direct Gap = 1.505 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 72386

Band structure with spin-orbit coupling