• Formula : MnP4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.861
    b = 5.104
    c = 5.836
    α = 93.82
    β = 107.31
    γ = 115.81
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 70
  • Band gap = 0.4031 eV
    Direct Gap = 0.499 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Preparation, properties, and structure refinement of the stacking variant 2- Mn P4,
    Materials Research Bulletin 15, 1755 (1980)

Band structure with spin-orbit coupling