Mg4FeO5

Mg4FeO5 is a stable, insulating magnesium-iron oxide that serves as a research candidate in the field of oxygen-evolution catalysis.

Crystal structure of Mg4FeO5
Ground-state structure · Materials Project
Overview

About Mg4FeO5

Mg4FeO5 is a complex oxide composed of magnesium, iron, and oxygen. As a wide-band-gap insulator, it represents a distinct electronic profile within the broader category of oxygen-evolution catalysts, where its structural arrangement plays a critical role in its chemical potential.

This compound is recognized for its thermodynamic stability, positioning it as a near-hull material that is likely synthesizable for experimental research. Its presence in multiple structural databases underscores its significance as a candidate for advanced catalytic investigations.

At a glance

Key Properties

Cross-validated computational properties for Mg4FeO5, aggregated across 3 databases.

Band Gap

0.02–3.46 eV
Range across DFT structures

Energy Above Hull

0.009 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

15
3 databases, 5 space groups
Uses

Applications

Where Mg4FeO5 is used.

Oxygen-evolution catalysis researchAdvanced materials synthesisSolid-state chemistry modeling
Reference

Frequently Asked Questions

Common questions about Mg4FeO5, answered from cross-validated data.

What is Mg4FeO5?

Mg4FeO5 is a stable, insulating magnesium-iron oxide that serves as a research candidate in the field of oxygen-evolution catalysis.

More questions
What is Mg4FeO5 used for?
Mg4FeO5 is used in oxygen-evolution catalysis research, advanced materials synthesis, and solid-state chemistry modeling.
What is the band gap of Mg4FeO5?
Mg4FeO5 has a DFT-computed band gap of 0.02–3.46 eV across 15 reported structures.
Is Mg4FeO5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.46 eV it is an insulator / wide-band-gap material.
Is Mg4FeO5 thermodynamically stable?
Mg4FeO5 has a lowest energy above hull of 0.009 eV/atom (near hull (likely stable)).
How many polymorphs of Mg4FeO5 are known?
15 structures of Mg4FeO5 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Mg4FeO5 contain?
Mg4FeO5 contains Fe, Mg, and O (3 elements).
Where does the data for Mg4FeO5 come from?
Mg4FeO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

While many members of the oxygen-evolution catalyst class, such as the metallic-conducting LaNiO3 or the layered LiCoO2, are widely utilized for their high conductivity, Mg4FeO5 stands out as an insulating oxide. Unlike the perovskite-based BiFeO3, this compound offers a different structural framework that challenges traditional design paradigms for catalysts by prioritizing stability and unique electronic properties over standard metallic behavior.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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