Ba₃SbP is an intermetallic ceramic compound belonging to the antiperovskite family, combining barium, antimony, and phosphorus into a structured lattice material. This compound is primarily of research and academic interest rather than established in production engineering, with potential applications in solid-state physics and materials science where its unique crystal structure and electronic properties may enable functionality in niche technologies. The antiperovskite class has attracted attention for thermoelectric, photovoltaic, and topological material research, though Ba₃SbP's specific performance advantages over conventional alternatives remain under investigation.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 21.30 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 14.88 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.537 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.4440 | eV | DFT · OptB88vdW | ||
| ↳ | 0.7670 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 16.28 | - | DFT · OptB88vdW | ||
| ↳ | 10.13 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.5000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.2100 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00271 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00122 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -248 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 123.3 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 25.74 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.7440 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.3076 | 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