BaFe2P2O7F2 is a barium iron phosphate fluoride ceramic compound combining phosphate and fluoride anion groups within a layered crystal structure. This material is primarily of research interest for functional ceramic applications, particularly in ionic conductivity and electrochemical systems where the dual anionic framework may enable novel ion transport properties. The barium-iron-phosphate family is being investigated for potential use in solid electrolytes, thermal management ceramics, and magnetic applications, where the incorporation of fluoride ions represents an emerging strategy to enhance performance versus conventional phosphate ceramics.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1469 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.1950 | eV | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000181 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000218 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -32.13 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | -16.99 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00960 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.339 | 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