BaThBr₆ is an experimental halide ceramic compound containing barium, thorium, and bromine elements. This material belongs to the family of mixed-metal halide perovskites and related structures, which are primarily of research interest for their potential in optoelectronic and solid-state applications. While not yet established in mainstream industrial production, halide ceramics of this type are being investigated for their crystalline properties and potential use in advanced functional materials where conventional oxides or fluorides may be insufficient.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Exfoliation Energy(Eexf) | 48.54 | meV/atom | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2025 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 2.852 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 4.775 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000129 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000419 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -353.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 352 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.04700 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.972 | 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