• Formula : KInP2S7
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 8.7506
    b = 9.9685
    c = 6.3151
    α = 90.0
    β = 98.906
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 74
  • Band gap = 2.1891 eV
    Direct Gap = 2.189 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 91755

Band structure with spin-orbit coupling