Li4NCl is a ceramic compound belonging to the lithium nitride halide family, synthesized primarily for research and advanced functional applications. While not yet widely deployed in conventional engineering, this material is of interest in solid-state ionics and energy storage research due to its ionic properties and potential as a solid electrolyte precursor or component in next-generation battery systems. Its lightweight density and ceramic framework make it a candidate for exploratory work in lithium-ion conduction pathways, though practical industrial applications remain limited to specialized laboratory and developmental settings.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 44.33 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 33.56 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 1.732 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 2.074 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 10.09 | - | DFT · OptB88vdW | ||
| ↳ | 10.03 | - | DFT · PBE | ||
| ↳ | 6.866 range 4.109–9.622median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 4.248 | - | DFT · OptB88vdW | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.03640 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.018 | 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