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Formula : Te
2
Mo
Space Group :
P2_1/m (11)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 6.33
b = 3.469
c = 13.86
α = 90.0
β = 93.917
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 104
Band gap = 0.0 eV
Direct Gap = 0.034 eV
Metallicity = 0.170
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 14349
Band structure with spin-orbit coupling