Ag1F11Na1Zr2

MatHub3d-257-Ag1F11Na1Zr2

Property Value
Space group (2, "'P-1'")
Magnetic True
Magnetic moment (μB) 1.02
Band gap (PBE) (eV) 2.40
Total energy (eV) -86.268
Total energy / atom (eV) -5.751

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 5.700 5.830 7.810
α, β, γ(°): 112.0 97.0 106.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 5.780 5.930 7.920
α, β, γ(°): 111.6 96.2 106.3

Deformation Potential

n_type (eV): 0.407
p_type (eV): 3.180
Ag1F11Na1Zr2
.
Property Value
Bulk-modulus 96.487 GPa






Ag1F11Na1Zr2
  
Property Value
Band gap 2.40 eV
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)
Property Value
Source icsd-65179-Ag1F11Na1Zr2