KFeS2 is an iron sulfide compound that belongs to the pyrite family of minerals, potentially useful as a semiconductor or catalyst material. This material is primarily studied in research contexts for applications in energy storage, photovoltaics, and heterogeneous catalysis due to iron sulfides' low cost and earth-abundant composition. Engineers consider iron sulfide compounds as alternatives to precious-metal catalysts and in emerging battery chemistries, though KFeS2 itself remains less established in mainstream industrial use compared to simpler iron sulfide phases.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 33.74 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 19.35 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.931 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 0.000 | eV | DFT · TBmBJ | ||
Magnetic Moment(μB) | 1.859 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.0000729 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.0000726 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | 20.34 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 21.20 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00850 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.8767 | 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