NaLiSe is an experimental ceramic compound composed of sodium, lithium, and selenium—a mixed-cation selenide material under research for advanced functional applications. While not yet established in mainstream industrial production, this material belongs to the family of chalcogenide ceramics, which are investigated for their ionic conductivity, optical properties, and potential electrochemical utility. The combination of alkali metals (Na, Li) with selenium suggests potential relevance to solid-state electrolyte development and energy storage systems, though practical applications remain largely at the research stage.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 33.31 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 23.09 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.099 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.750 | eV | DFT · OptB88vdW | ||
| ↳ | 4.124 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.809 | - | DFT · OptB88vdW | ||
| ↳ | 3.603 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.2800 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.087 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000503 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00153 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -75.63 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 332 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00840 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.269 | 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