Mn6O5F7

Mn6O5F7 is a semiconducting oxyfluoride catalyst that serves as a metastable material of interest for oxygen-evolution reactions.

Crystal structure of Mn6O5F7
Ground-state structure · Materials Project
Overview

About Mn6O5F7

Mn6O5F7 is a complex oxyfluoride compound that functions as a semiconducting material within the broader category of oxide oxygen-evolution catalysts. Its composition, which incorporates both oxygen and fluorine anions, suggests a distinct electronic environment that influences its catalytic potential in electrochemical processes.

As a metastable phase, this compound represents a specialized structural arrangement within the manganese-based chemical space. Its existence is supported by extensive structural data, highlighting its significance for researchers investigating non-traditional catalyst architectures for energy conversion applications.

At a glance

Key Properties

Cross-validated computational properties for Mn6O5F7, aggregated across 3 databases.

Band Gap

0.01–0.50 eV
Range across DFT structures

Energy Above Hull

0.049 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

84
3 databases, 6 space groups
Uses

Applications

Where Mn6O5F7 is used.

Oxygen-evolution catalysisElectrochemical energy conversion research
Reference

Frequently Asked Questions

Common questions about Mn6O5F7, answered from cross-validated data.

What is Mn6O5F7?

Mn6O5F7 is a semiconducting oxyfluoride catalyst that serves as a metastable material of interest for oxygen-evolution reactions.

More questions
What is Mn6O5F7 used for?
Mn6O5F7 is used in oxygen-evolution catalysis and electrochemical energy conversion research.
What is the band gap of Mn6O5F7?
Mn6O5F7 has a DFT-computed band gap of 0.01–0.50 eV across 84 reported structures.
Is Mn6O5F7 a metal, semiconductor, or insulator?
With a band gap up to 0.50 eV it is a semiconductor.
Is Mn6O5F7 thermodynamically stable?
Mn6O5F7 has a lowest energy above hull of 0.049 eV/atom (metastable).
How many polymorphs of Mn6O5F7 are known?
84 structures of Mn6O5F7 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Mn6O5F7 contain?
Mn6O5F7 contains F, Mn, and O (3 elements).
Where does the data for Mn6O5F7 come from?
Mn6O5F7 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse family of oxide oxygen-evolution catalysts, Mn6O5F7 occupies a niche position compared to more conventional transition metal oxides like NiO or perovskites such as LaMnO3. While many of its class members, including LiMn2O4 and La2NiO4, are well-established for their stable performance in battery and catalytic systems, this oxyfluoride offers a unique structural complexity arising from its anionic composition, distinguishing it from the simpler binary and ternary oxides in the group.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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