LiScS2 is a lithium scandium sulfide ceramic compound belonging to the family of solid electrolyte materials. This material is of primary interest in solid-state battery research, where it functions as a ceramic electrolyte to conduct lithium ions between battery electrodes while maintaining electronic insulation. LiScS2 represents an emerging class of materials designed to overcome limitations of conventional liquid electrolytes—offering improved thermal stability, safety, and potential for higher energy density—though it remains largely in the development and optimization phase rather than in widespread commercial production.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 60.24 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 40.15 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.713 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.477 | eV | DFT · OptB88vdW | ||
| ↳ | 2.032 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 23.17 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.731 | - | DFT · OptB88vdW | ||
| ↳ | 8.791 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.6467 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.9533 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00276 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00259 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -258.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 302.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 22.30 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.945 | 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