AgPS3 is a layered metal chalcogenophosphide compound combining silver with phosphorus and sulfur, belonging to the family of metal thiophosphates. This material is primarily of research and developmental interest rather than established industrial production, with potential applications in solid-state ionics, catalysis, and optoelectronic devices where layered crystal structures offer advantages for ion transport or charge carrier mobility. Engineers exploring AgPS3 would typically be investigating its use as a solid electrolyte material, catalytic substrate, or functional component in next-generation batteries and electrochemical systems where the layered structure and silver-ion mobility offer alternatives to conventional materials.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 27.11 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 10.21 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.642 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.354 | eV | DFT · OptB88vdW | ||
| ↳ | 1.834 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.793 | - | DFT · OptB88vdW | ||
| ↳ | 6.325 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 2.457 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.007 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00117 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00172 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -287 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 330 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 26.65 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00340 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.1874 | 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