Fe4O5F3
Fe4O5F3 is a semimetallic, metastable oxyfluoride material utilized in the study of oxygen-evolution catalysis.
About Fe4O5F3
Fe4O5F3 is a complex oxyfluoride that functions as an oxide oxygen-evolution catalyst. Characterized by its near-zero-gap electronic structure, this material exhibits semimetallic behavior that is of significant interest for advancing electrochemical energy conversion processes.
As a metastable phase, Fe4O5F3 represents a specialized member of the broader catalyst family. Its unique composition of iron, oxygen, and fluorine suggests potential for tunable catalytic activity, making it a subject of interest for researchers seeking to optimize performance in oxygen-evolution reactions.
Key Properties
Cross-validated computational properties for Fe4O5F3, 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.
Applications
Where Fe4O5F3 is used.
Frequently Asked Questions
Common questions about Fe4O5F3, answered from cross-validated data.
What is Fe4O5F3?
Fe4O5F3 is a semimetallic, metastable oxyfluoride material utilized in the study of oxygen-evolution catalysis.
What is Fe4O5F3 used for?
What is the band gap of Fe4O5F3?
Is Fe4O5F3 a metal, semiconductor, or insulator?
Is Fe4O5F3 thermodynamically stable?
How many polymorphs of Fe4O5F3 are known?
What elements does Fe4O5F3 contain?
Where does the data for Fe4O5F3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the more conventional, highly stable oxide catalysts such as NiO or the layered lithium-based oxides like LiCoO2 and LiNiO2, Fe4O5F3 occupies a distinct niche due to its metastable nature and semimetallic electronic character. While perovskite-structured siblings like LaMnO3 and BiFeO3 are widely studied for their structural stability and magnetic properties, Fe4O5F3 provides a different chemical environment that may offer alternative pathways for catalytic surface interactions.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze Fe4O5F3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →