LiCaMgSiN3 is an advanced ceramic compound belonging to the oxynitride/nitride ceramic family, combining lithium, calcium, magnesium, silicon, and nitrogen into a single-phase material. This composition is primarily investigated in research contexts for high-performance structural and functional applications where thermal stability, hardness, and chemical resistance are critical. The material exemplifies emerging nitride ceramic design strategies aimed at achieving improved fracture toughness and thermal shock resistance compared to traditional silicate ceramics, making it of interest for extreme-environment engineering where conventional ceramics fall short.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 108.1 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 69.69 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.860 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.081 | eV | DFT · OptB88vdW | ||
| ↳ | 4.038 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.860 | - | DFT · OptB88vdW | ||
| ↳ | 4.028 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 2.720 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.603 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00161 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00145 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -252.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 257.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.01000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.197 | 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