KCrS₂ is a ternary metal sulfide compound combining potassium, chromium, and sulfur, belonging to the metal chalcogenide family. This is a research-phase material with potential applications in energy storage and catalysis, where layered sulfide structures are explored for electrode materials and electrocatalysts. The compound's attraction lies in its mixed-metal composition, which can offer tunable electronic properties and enhanced activity compared to single-metal sulfides, though industrial deployment remains limited and engineering use is primarily experimental.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 7,797.2 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2700 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 4,680.4 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1147 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.152 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 13.16 | - | DFT · OptB88vdW | ||
| ↳ | 11.64 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 70.20 | - | DFT · OptB88vdW | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.8233 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.697 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 3.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00289 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00136 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -311.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 315.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.066 | 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