Na16O28P8

MatHub3d-66558-Na16O28P8

Basic properties

Property Value
Space group (19, "'P2_12_12_1'")
Magnetic False
Band gap (PBE) (eV) 4.42
Total energy (eV) -319.423
Total energy / atom (eV) -6.143

Lattice Parameters(from the source)

a, b, c (Å): 5.390 9.370 13.480
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 5.470 9.420 13.680
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -3.622
p_type (eV): 1.312

Energy and volume

Na16O28P8
.
Property Value
Bulk-modulus 107.698 GPa

Density of States (DOS)







Electronic band structure (PBE)

Na16O28P8
  
Property Value
Band gap 4.42 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 4.00

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 -4.73851
Eband_CBM -2.00481

Data source

Property Value
Source icsd-10370-Na16O28P8