Mg1O6V2

MatHub3d-62535-Mg1O6V2

Basic properties

Property Value
Space group (12, "'C2/m'")
Magnetic False
Band gap (PBE) (eV) 2.77
Total energy (eV) -65.760
Total energy / atom (eV) -7.307

Lattice Parameters(from the source)

a, b, c (Å): 9.280 3.500 6.730
α, β, γ(°): 90.0 112.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 5.190 5.190 6.970
α, β, γ(°): 103.0 103.0 40.0

Deformation Potential

n_type (eV): -0.291
p_type (eV): 3.639

Energy and volume

Mg1O6V2
.
Property Value
Bulk-modulus 154.934 GPa

Density of States (DOS)







Electronic band structure (PBE)

Mg1O6V2
  
Property Value
Band gap 2.77 eV
Band degeneracy(CBM) 2.00
Band degeneracy(VBM) 1.00

Electric transport properties

n-type Seebeck coefficient (700K)



p-type Seebeck coefficient (700K)
n-type conductivity (700K)



p-type conductivity (700K)
n-type power factor (700K)



p-type power factor (700K)

Bonding information







Eband_VBM -2.52141
Eband_CBM -17.92801

Data source

Property Value
Source icsd-10391-Mg1O6V2