• Formula : Na2MnCl4
  • Space Group : Pbam (55)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.93
    b = 11.86
    c = 3.86
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 122
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.664
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Na2 Mn Cl4,
    Acta Crystallographica B (24,1968-38,1982) 27, 1672 (1971)

Band structure with spin-orbit coupling