• Formula : MnAs
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.72
    b = 3.676
    c = 6.379
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0 eV
    Direct Gap = 0.017 eV
    Metallicity = 0.497
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Mn As above 40 C,
    Acta Crystallographica (1,1948-23,1967) 17, 95 (1964)

Band structure with spin-orbit coupling