F8O4Pb8

MatHub3d-43813-F8O4Pb8

Basic properties

Property Value
Space group (137, "'P4_2/nmc'")
Magnetic False
Band gap (PBE) (eV) 2.87
Total energy (eV) -100.662
Total energy / atom (eV) -5.033

Lattice Parameters(from the source)

a, b, c (Å): 8.150 8.150 5.720
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 8.370 8.370 5.840
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -6.617
p_type (eV): -5.636

Energy and volume

F8O4Pb8
.
Property Value
Bulk-modulus 63.350 GPa

Density of States (DOS)







Electronic band structure (PBE)

F8O4Pb8
  
Property Value
Band gap 2.87 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 -19.48229
Eband_CBM -2.30851

Data source

Property Value
Source icsd-10416-F8O4Pb8