Ag1H4N1S4W1

MatHub3d-275-Ag1H4N1S4W1

Basic properties

Property Value
Space group (82, "'I-4'")
Magnetic False
Band gap (PBE) (eV) 1.91
Total energy (eV) -54.076
Total energy / atom (eV) -4.916

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 7.990 7.990 5.860
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 8.270 8.270 6.010
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -5.851
p_type (eV): -4.804

Energy and volume

Ag1H4N1S4W1
.
Property Value
Bulk-modulus 69.619 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ag1H4N1S4W1
  
Property Value
Band gap 1.91 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 8.00

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 -3.15321
Eband_CBM -15.45806

Data source

Property Value
Source icsd-84370-Ag1H4N1S4W1