Cl18P2V2

MatHub3d-30608-Cl18P2V2

Basic properties

Property Value
Space group (67, "'Cmme'")
Magnetic True
Magnetic moment (μB) 2.04
Band gap (PBE) (eV) 1.50
Total energy (eV) -76.650
Total energy / atom (eV) -3.484

Lattice Parameters(from the source)

a, b, c (Å): 11.820 16.310 6.210
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 10.520 10.520 6.460
α, β, γ(°): 90.0 90.0 107.0

Deformation Potential

n_type (eV): 0.667
p_type (eV): 0.831

Energy and volume

Cl18P2V2
.
Property Value
Bulk-modulus 39.621 GPa

Density of States (DOS)







Electronic band structure (PBE)

Cl18P2V2
  
Property Value
Band gap 1.50 eV
Band degeneracy(CBM) 0.00
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)

Data source

Property Value
Source icsd-1047-Cl18P2V2