Fe2PO5

Fe2PO5 is a stable, semiconducting iron phosphate oxide studied for its potential utility in oxygen-evolution catalytic processes.

Crystal structure of Fe2PO5
Ground-state structure · Materials Project
Overview

About Fe2PO5

Fe2PO5 is a semiconducting oxide that sits on the thermodynamic convex hull, marking it as a highly stable phase within the iron-phosphorus-oxygen system. Its structural integrity makes it a compelling candidate for electrochemical investigations where long-term durability is a primary requirement.

As a member of the oxide oxygen-evolution catalyst class, this material contributes to the ongoing search for efficient, earth-abundant alternatives to precious metal catalysts. Its electronic properties are well-suited for applications involving charge transfer at the electrode-electrolyte interface.

At a glance

Key Properties

Cross-validated computational properties for Fe2PO5, aggregated across 4 databases.

Band Gap

0.13–1.13 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

18
4 databases, 6 space groups
Uses

Applications

Where Fe2PO5 is used.

Oxygen-evolution catalysisElectrochemical energy conversionMaterials science research
Reference

Frequently Asked Questions

Common questions about Fe2PO5, answered from cross-validated data.

What is Fe2PO5?

Fe2PO5 is a stable, semiconducting iron phosphate oxide studied for its potential utility in oxygen-evolution catalytic processes.

More questions
What is Fe2PO5 used for?
Fe2PO5 is used in oxygen-evolution catalysis, electrochemical energy conversion, and materials science research.
What is the band gap of Fe2PO5?
Fe2PO5 has a DFT-computed band gap of 0.13–1.13 eV across 18 reported structures.
Is Fe2PO5 a metal, semiconductor, or insulator?
With a band gap up to 1.13 eV it is a semiconductor.
Is Fe2PO5 thermodynamically stable?
Yes — Fe2PO5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Fe2PO5 are known?
18 structures of Fe2PO5 are reported across 4 databases, spanning 6 distinct space groups.
What elements does Fe2PO5 contain?
Fe2PO5 contains Fe, O, and P (3 elements).
Where does the data for Fe2PO5 come from?
Fe2PO5 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 LiCoO2 or LaNiO3, are primarily recognized for their roles in battery cathodes or perovskite-based electrocatalysis, Fe2PO5 offers a distinct phosphate-based framework. Unlike the transition metal oxide structures seen in NiO or BiFeO3, this compound leverages its specific anionic composition to potentially tune catalytic activity in ways that standard binary or perovskite oxides cannot.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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