Na3SbSe4 is an inorganic ceramic compound belonging to the class of quaternary chalcogenides, specifically a sodium antimony selenide. This material is primarily of research and developmental interest rather than a mature commercial ceramic, with potential applications in solid-state ionics and photovoltaic technologies where its layered crystal structure and ionic conductivity are being investigated.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 22.67 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 6.520 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.027 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.057 | eV | DFT · OptB88vdW | ||
| ↳ | 2.059 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 14.67 | - | DFT · OptB88vdW | ||
| ↳ | 16.95 | - | DFT · PBE | ||
| ↳ | 10.46 range 6.599–14.31median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.547 | - | DFT · OptB88vdW | ||
| ↳ | 5.220 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.5400 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.390 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.1743 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.4596 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.000731 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00189 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -140.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 306.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 21.71 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.03340 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.7692 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data