CaTiS₂ is an experimental ternary metal compound combining calcium, titanium, and sulfur elements, representing a niche composition within the broader family of transition metal chalcogenides. This material remains primarily in research phases rather than established commercial production, with potential applications in solid-state chemistry and materials science focused on understanding layered crystal structures and their electronic properties. Engineers would consider this compound for fundamental studies of mixed-valence systems and potentially for emerging technologies in energy storage or optoelectronics, though it lacks the material maturity and industrial infrastructure of conventional titanium alloys or established intermetallic compounds.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 88.12 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 55.61 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.356 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.000 | eV | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.00400 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000541 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000470 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -24.34 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | -22.50 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.2529 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.727 | 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