Fe3H4O2F8 is an iron-based ceramic compound containing fluorine and hydroxyl groups, representing a mixed-valence iron oxide-fluoride system. This material falls within the family of layered iron fluorides and hydroxides, which are primarily of research and developmental interest for energy storage and catalytic applications. The fluorine substitution and hydroxide incorporation create structural variants with potential relevance to battery chemistries, heterogeneous catalysis, and corrosion-resistant coatings, though industrial adoption remains limited compared to conventional iron oxides or established ceramic alternatives.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.214 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.000 | eV | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000613 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000636 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -62.49 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | -64.76 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00900 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.797 | 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