LiZnPS4 is a lithium-zinc thiophosphate ceramic compound, a sulfide-based solid electrolyte material currently under research for next-generation energy storage applications. This material belongs to the family of superionic conductors being investigated as alternatives to liquid electrolytes in solid-state batteries, offering potential advantages in thermal stability, safety, and energy density compared to conventional lithium-ion chemistries. Its development reflects broader efforts in the battery industry to enable higher-performance, longer-cycle-life energy storage systems for electric vehicles and grid applications.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 4,921.1 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 2,610.7 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.09364 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.864 | eV | DFT · OptB88vdW | ||
| ↳ | 3.422 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 8.029 | - | DFT · OptB88vdW | ||
| ↳ | 6.438 range 5.072–7.804median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.650 | - | DFT · OptB88vdW | ||
| ↳ | 5.328 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 1.293 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.307 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.4901 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.03506 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00102 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00143 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -225.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 298 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 1.600 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.7259 | 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