KLiMnS2 is an experimental ternary sulfide compound combining potassium, lithium, and manganese—materials typically explored in solid-state chemistry and battery research rather than conventional structural applications. This compound belongs to the sulfide family and represents early-stage research into mixed-metal sulfides, which are of interest primarily in energy storage and electrochemistry contexts. While not yet established in mainstream industrial production, materials of this composition family are investigated for potential roles in solid electrolytes, cathode materials, or other electrochemical systems where the combination of alkali metals with transition metals in a sulfide matrix may offer useful electronic or ionic properties.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 31.70 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 17.62 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.583 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.4410 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 69.69 | - | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 0.9267 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.9300 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 4.998 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000871 | 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 | -244.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 271.5 | 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) | -1.124 | 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