• Formula : KSnAs
  • Space Group : Ccm2_1 (36)
    Centrosymmetric : False
    Dimensionality : Unknown
  • Structure parameters
    a = 4.1032
    b = 4.1032
    c = 12.845
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 56
  • Band gap = 0.4164 eV
    Direct Gap = 0.458 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 40815

Band structure with spin-orbit coupling

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