BaYAgSe₃ is an intermetallic compound combining barium, yttrium, silver, and selenium—a rare quaternary metal system that falls outside conventional engineering alloys. This is a research-phase material with limited industrial application; it belongs to a family of compounds being investigated for potential thermoelectric, optoelectronic, or solid-state device applications where unusual electronic or thermal transport properties may be desirable. Engineers would consider this material only in experimental contexts where its unique crystal structure and electronic properties might address specific performance gaps in next-generation electronic or energy-conversion devices, rather than as a drop-in replacement for established structural or functional alloys.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 49.02 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 26.89 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.830 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.385 | eV | DFT · OptB88vdW | ||
| ↳ | 1.796 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.832 | - | DFT · OptB88vdW | ||
| ↳ | 7.512 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.9100 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.8100 | 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 | ||
| ↳ | 0.00136 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -172.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 225.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 27.41 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.635 | 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