F14Fe10O6
F14Fe10O6 is a semiconducting iron oxyfluoride material utilized in research regarding oxygen-evolution catalysis.
About F14Fe10O6
F14Fe10O6 is a complex iron-based oxyfluoride that functions as a semiconducting material. Its unique structural arrangement, involving both oxygen and fluorine anions, places it within the broader category of oxide-based oxygen-evolution catalysts, where it is investigated for its potential to facilitate electrochemical reactions.
As a metastable phase, this compound represents a specialized area of materials research. It is primarily studied for its electronic properties and potential utility in catalytic systems, offering a distinct chemical environment compared to traditional pure oxide catalysts.
Key Properties
Cross-validated computational properties for F14Fe10O6, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for F14Fe10O6, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 1.37 | 0.0815 | -6.936 | 4.20 |
| C2 (No. 5) | monoclinic | 1.31 | 0.0819 | -6.936 | 4.19 |
| P1 (No. 1) | triclinic | 0.00 | 0.0821 | -6.936 | 4.24 |
| P1 (No. 1) | triclinic | 1.30 | 0.0837 | -6.934 | 4.23 |
| Pm (No. 6) | monoclinic | 1.29 | 0.0845 | -6.933 | 4.21 |
| Pc (No. 7) | monoclinic | 1.43 | 0.0850 | -6.933 | 4.19 |
| C2 (No. 5) | monoclinic | 0.04 | 0.0858 | -6.932 | 4.24 |
| P1 (No. 1) | triclinic | 0.97 | 0.0860 | -6.932 | 4.23 |
| P1 (No. 1) | triclinic | 1.25 | 0.0870 | -6.931 | 4.25 |
| P1 (No. 1) | triclinic | 0.79 | 0.0876 | -6.930 | 4.22 |
| Pm (No. 6) | monoclinic | 1.13 | 0.0897 | -6.928 | 4.29 |
| P1 (No. 1) | triclinic | 0.00 | 0.0898 | -6.928 | 4.29 |
Applications
Where F14Fe10O6 is used.
Frequently Asked Questions
Common questions about F14Fe10O6, answered from cross-validated data.
What is F14Fe10O6?
F14Fe10O6 is a semiconducting iron oxyfluoride material utilized in research regarding oxygen-evolution catalysis.
What is F14Fe10O6 used for?
What is the band gap of F14Fe10O6?
Is F14Fe10O6 a metal, semiconductor, or insulator?
Is F14Fe10O6 thermodynamically stable?
What is the crystal structure of F14Fe10O6?
What is the density of F14Fe10O6?
How many polymorphs of F14Fe10O6 are known?
What elements does F14Fe10O6 contain?
Where does the data for F14Fe10O6 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide-based oxygen-evolution catalysts, F14Fe10O6 stands out due to its mixed-anion composition. Unlike the well-characterized perovskite oxides such as LaMnO3 or BiFeO3, which are often studied for their stable crystal lattices, this compound exists in a metastable state that provides a unique platform for exploring how fluorine substitution influences catalytic activity.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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