Ba2CuClO2 is an oxychloride ceramic compound containing barium, copper, and chlorine—a mixed-anion ceramic material that represents an emerging class of compounds with potential for functional applications. This material is primarily of research interest rather than established industrial production, with potential applications in solid-state chemistry, thermal management systems, and electronic device components where mixed-valence copper coordination and layered crystal structures may provide useful properties. The oxychloride family is notable for combining ionic and covalent bonding across multiple elements, offering pathways to tailor thermal, electrical, or magnetic behavior that conventional single-anion ceramics cannot easily achieve.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 6,876.2 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 2,269.8 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1592 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.415 | eV | DFT · OptB88vdW | ||
| ↳ | 2.700 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 8.332 | - | DFT · OptB88vdW | ||
| ↳ | 6.239 range 3.803–8.674median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.946 | - | DFT · OptB88vdW | ||
| ↳ | 3.390 | - | 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 | 0.00197 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000381 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -326.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 471.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 8.900 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.274 | 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