PtS2Cl6 is a layered platinum sulfide-chloride compound that belongs to the family of transition metal chalcohalides, a class of materials currently under active research for advanced applications. This material exhibits a layered crystal structure with weak interlayer bonding, making it relevant to emerging fields requiring two-dimensional materials or exfoliable compounds. While not yet established in mainstream industrial production, materials in this family are being investigated for applications in electronics, catalysis, and energy storage due to their unique electronic and chemical properties.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 15.98 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 65.90 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 8.090 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.456 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.650 | eV | DFT · OptB88vdW | ||
| ↳ | 2.384 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 6.764 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.640 | - | DFT · OptB88vdW | ||
| ↳ | 4.039 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00123 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00119 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -268.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 357.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 14.91 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.05040 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.2818 | 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