Mn4Mo6O16

MatHub3d-63643-Mn4Mo6O16

Property Value
Space group (186, "'P6_3mc'")
Magnetic True
Magnetic moment (μB) 20.01
Band gap (PBE) (eV) 1.73
Total energy (eV) -207.452
Total energy / atom (eV) -7.979

Lattice Parameters(from the source)

a, b, c (Å): 5.800 5.800 10.270
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 5.860 5.860 10.450
α, β, γ(°): 90.0 90.0 120.0

Deformation Potential

n_type (eV): -0.700
p_type (eV): -0.307
Mn4Mo6O16
.
Property Value
Bulk-modulus 206.824 GPa






Mn4Mo6O16
  
Property Value
Band gap 1.73 eV
Band degeneracy(CBM) 3.00
Band degeneracy(VBM) 3.00
Property Value
Source icsd-10144-Mn4Mo6O16