FeSO6

FeSO6 is a semimetallic iron-based oxide being investigated for its potential role as a catalyst in oxygen-evolution reactions.

Crystal structure of FeSO6
Ground-state structure · Materials Project
Overview

About FeSO6

FeSO6 is an iron-based oxide categorized within the oxygen-evolution catalyst class. Its electronic structure exhibits near-zero-gap behavior, positioning it as a semimetallic material of interest for electrochemical energy conversion research. Due to its high energy relative to the thermodynamic hull, this compound is considered metastable. It represents a complex chemical system that highlights the ongoing effort to design efficient catalysts for water splitting and related oxidation reactions.

At a glance

Key Properties

Cross-validated computational properties for FeSO6, aggregated across 3 databases.

Band Gap

0.03 eV
Range across DFT structures

Energy Above Hull

0.666 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

5
3 databases, 3 space groups
Uses

Applications

Where FeSO6 is used.

Oxygen-evolution catalysisElectrochemical energy conversionWater splitting research
Reference

Frequently Asked Questions

Common questions about FeSO6, answered from cross-validated data.

What is FeSO6?

FeSO6 is a semimetallic iron-based oxide being investigated for its potential role as a catalyst in oxygen-evolution reactions.

More questions
What is FeSO6 used for?
FeSO6 is used in oxygen-evolution catalysis, electrochemical energy conversion, and water splitting research.
What is the band gap of FeSO6?
FeSO6 has a DFT-computed band gap of 0.03 eV across 5 reported structures.
Is FeSO6 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is FeSO6 thermodynamically stable?
FeSO6 has a lowest energy above hull of 0.666 eV/atom (above hull).
How many polymorphs of FeSO6 are known?
5 structures of FeSO6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does FeSO6 contain?
FeSO6 contains Fe, O, and S (3 elements).
Where does the data for FeSO6 come from?
FeSO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Unlike the highly stable and widely utilized LiCoO2 or the perovskite-structured LaMnO3, FeSO6 exists in a metastable state that presents significant challenges for synthesis and long-term operational stability. While materials like NiO are standard benchmarks in the field, FeSO6 offers a unique electronic profile as a semimetallic oxide, distinguishing it from the more traditional semiconducting or insulating oxides in this class.

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Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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