Li6PS5Br is a halide-substituted lithium thiophosphate ceramic belonging to the solid electrolyte family of ionic conductors. This compound is an experimental material being developed for next-generation solid-state battery applications, where it serves as a ceramic electrolyte to replace conventional liquid electrolytes, offering potential advantages in energy density, safety, and thermal stability. Engineers evaluate this material for lithium-ion battery systems where solid electrolytes can enable higher voltage operation and improved cycle life compared to conventional liquid-electrolyte designs.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 1.967 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 2.116 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 4.284 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000703 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000321 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -113.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 458.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00320 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.180 | 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