• Formula : MnCoP
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.96
    b = 3.49
    c = 6.717
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 148
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.615
    Topological Z2 indices ν = (1;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Etude structurale et magnetique de Co Mn P,
    Physica Status Solidi, Sectio A: Applied Research 57, 675 (1980)

Band structure with spin-orbit coupling