• Formula : MoP4
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.313
    b = 11.139
    c = 5.82
    α = 90.0
    β = 110.64
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.019 eV
    Metallicity = 0.126
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The high pressure synthesis, crystal structure, and properties of Cr P4 and Mo P4,
    Acta Crystallographica B (24,1968-38,1982) 28, 1893 (1972)

Band structure with spin-orbit coupling