Fe4OF7

Fe4OF7 is a semiconducting iron oxyfluoride material investigated for its potential role in oxygen-evolution catalytic processes.

Crystal structure of Fe4OF7
Ground-state structure · Materials Project
Overview

About Fe4OF7

Fe4OF7 is a semiconducting oxyfluoride that functions within the broader category of oxide oxygen-evolution catalysts. Its structural composition, involving iron, oxygen, and fluorine, positions it as a specialized material of interest for researchers investigating catalytic pathways in energy conversion processes.

Despite its metastable nature, the compound represents a distinct chemical environment that differentiates it from standard binary oxides. It serves as a subject for exploring how anionic substitution influences the electronic landscape and catalytic activity of transition metal-based systems.

At a glance

Key Properties

Cross-validated computational properties for Fe4OF7, aggregated across 2 databases.

Band Gap

0.06–2.05 eV
Range across DFT structures

Energy Above Hull

0.055 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

41
2 databases, 12 space groups
Uses

Applications

Where Fe4OF7 is used.

Oxygen-evolution catalysis researchElectrochemical energy conversion studies
Reference

Frequently Asked Questions

Common questions about Fe4OF7, answered from cross-validated data.

What is Fe4OF7?

Fe4OF7 is a semiconducting iron oxyfluoride material investigated for its potential role in oxygen-evolution catalytic processes.

More questions
What is Fe4OF7 used for?
Fe4OF7 is used in oxygen-evolution catalysis research and electrochemical energy conversion studies.
What is the band gap of Fe4OF7?
Fe4OF7 has a DFT-computed band gap of 0.06–2.05 eV across 41 reported structures.
Is Fe4OF7 a metal, semiconductor, or insulator?
With a band gap up to 2.05 eV it is a semiconductor.
Is Fe4OF7 thermodynamically stable?
Fe4OF7 has a lowest energy above hull of 0.055 eV/atom (metastable).
How many polymorphs of Fe4OF7 are known?
41 structures of Fe4OF7 are reported across 2 databases, spanning 12 distinct space groups.
What elements does Fe4OF7 contain?
Fe4OF7 contains F, Fe, and O (3 elements).
Where does the data for Fe4OF7 come from?
Fe4OF7 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the highly stable and widely utilized commercial cathode materials such as LiCoO2 or LiMn2O4, Fe4OF7 occupies a more niche, metastable position within the oxide catalyst family. While perovskite-structured members like LaMnO3 or BiFeO3 are frequently studied for their robust stability and magnetic properties, Fe4OF7 offers a unique structural alternative that highlights the complexity of iron-based oxyfluoride phases compared to simpler oxides like NiO.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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