NaLi₂As is an experimental ceramic compound composed of sodium, lithium, and arsenic, belonging to the family of ternary metal arsenides. This material is primarily of research interest for solid-state chemistry and materials discovery rather than established industrial production. Its potential applications lie in energy storage systems (particularly solid-state batteries leveraging lithium content), thermoelectric devices, and semiconductor research, where ternary arsenide compounds are investigated for their electronic and ionic transport properties.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 4,536.8 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 183.2 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 1,712.9 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.06514 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.183 | eV | DFT · OptB88vdW | ||
| ↳ | 2.057 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.411 | - | DFT · OptB88vdW | ||
| ↳ | 6.489 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 21.71 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.5213 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.1804 | 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