LiMgP is a ternary ceramic compound combining lithium, magnesium, and phosphorus, belonging to the family of phosphide ceramics. This material is primarily of research and development interest rather than established in high-volume industrial production, with potential applications in solid-state electrolytes, thermal management systems, and advanced ceramic composites where lightweight, thermally stable compounds are needed. Its appeal lies in the combination of low density with reasonable mechanical stiffness, making it potentially valuable for next-generation energy storage devices and aerospace-grade composites where weight reduction and thermal stability are critical design drivers.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 55.13 | GPa | DFT | ||
| ↳ | 54.63 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.1900 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 42.94 | GPa | DFT | ||
| ↳ | 43.40 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 1.914 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.738 | eV | DFT · OptB88vdW | ||
| ↳ | 2.250 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 11.77 | - | DFT · OptB88vdW | ||
| ↳ | 11.86 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.439 | - | DFT · OptB88vdW | ||
| ↳ | 6.488 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.2900 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.8800 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.2039 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.09783 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00185 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00368 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -145.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 327.3 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 17.67 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.8758 | 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