• Formula : TaMoN
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.081
    b = 3.081
    c = 7.8
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.382
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur des Komplexnitrides Ta Mo N,
    Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 109, 1001 (1978)

Band structure with spin-orbit coupling