H28N8O20V4

MatHub3d-53069-H28N8O20V4

Basic properties

Property Value
Space group (62, "'Pnma'")
Magnetic False
Band gap (PBE) (eV) 2.44
Total energy (eV) -333.558
Total energy / atom (eV) -5.559

Lattice Parameters(from the source)

a, b, c (Å): 8.370 6.880 9.240
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 8.580 7.060 9.360
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -1.063
p_type (eV): 2.288

Energy and volume

H28N8O20V4
.
Property Value
Bulk-modulus 114.371 GPa

Density of States (DOS)







Electronic band structure (PBE)

H28N8O20V4
  
Property Value
Band gap 2.44 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 -2.76556
Eband_CBM -65.89234

Data source

Property Value
Source icsd-10358-H28N8O20V4