F16O4W4

MatHub3d-44790-F16O4W4

Basic properties

Property Value
Space group (12, "'C2/m'")
Magnetic False
Band gap (PBE) (eV) 2.79
Total energy (eV) -151.729
Total energy / atom (eV) -6.322

Lattice Parameters(from the source)

a, b, c (Å): 9.650 14.420 5.150
α, β, γ(°): 90.0 95.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 8.760 8.760 5.570
α, β, γ(°): 91.0 91.0 112.0

Deformation Potential

n_type (eV): -8.289
p_type (eV): -3.708

Energy and volume

F16O4W4
.
Property Value
Bulk-modulus 129.820 GPa

Density of States (DOS)







Electronic band structure (PBE)

F16O4W4
  
Property Value
Band gap 2.79 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 2.00

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 7.44416
Eband_CBM 3.25647

Data source

Property Value
Source icsd-10393-F16O4W4