CaPS3 (calcium polysulfide) is a ceramic compound in the sulfide family, representing an emerging material of interest in solid-state chemistry and materials research. While not yet widely commercialized, calcium polysulfides are being investigated for potential applications in solid electrolytes and energy storage systems, particularly for next-generation battery technologies where sulfide-based ceramics offer ionic conductivity and chemical stability advantages over conventional oxide ceramics.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.09165 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.128 | eV | DFT · OptB88vdW | ||
| ↳ | 3.892 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.330 | - | DFT · OptB88vdW | ||
| ↳ | 5.495 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000987 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000661 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -285.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 346.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.1000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.179 | 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