• Formula : K6MgO4
  • Space Group : P6_3mc (186)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 8.478
    b = 8.478
    c = 6.585
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 176
  • Band gap = 1.7997 eV
    Direct Gap = 1.800 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 2340

Band structure with spin-orbit coupling