BaN₃Cl is a ceramic compound containing barium, nitrogen, and chlorine—a relatively uncommon material that sits at the intersection of ionic and covalent bonding chemistry. This is primarily a research and exploratory compound rather than an established engineering material with widespread industrial deployment; it belongs to the broader family of nitride and halide ceramics being investigated for specialized applications. The material's potential lies in niche applications requiring specific combinations of thermal stability, chemical inertness, and mechanical properties, though practical engineering use remains limited pending further characterization and process development.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 41.32 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 20.83 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.667 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 4.100 | eV | DFT · OptB88vdW | ||
| ↳ | 4.944 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 5.649 range 3.348–7.950median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.919 | - | DFT · OptB88vdW | ||
| ↳ | 3.426 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000997 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000471 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -178.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 412.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.01270 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.005 | 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