ScAgP2Se6 is an experimental layered compound combining scandium, silver, phosphorus, and selenium—a research-phase material belonging to the family of ternary and quaternary chalcogenides. This material exhibits characteristics typical of layered semiconductors or semi-metallic systems, with potential applications in next-generation electronics, photonics, and energy storage where anisotropic properties and tunable band structures are valuable. While not yet commercialized, compounds in this chemical family are of interest to researchers exploring two-dimensional materials and van der Waals heterostructures for advanced device applications.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 4,557.1 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 75.37 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 2,206 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1675 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.481 | eV | DFT · OptB88vdW | ||
| ↳ | 1.689 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 17.25 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 9.985 | - | DFT · OptB88vdW | ||
| ↳ | 9.343 | - | 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 | 0.000883 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000920 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -370.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 355.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 29.39 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.5196 | 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