• Formula : K2MgMo2(H2O5)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.884
    b = 6.491
    c = 7.7
    α = 111.67
    β = 96.59
    γ = 108.62
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 120
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.262
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 96782

Band structure with spin-orbit coupling