AcFeO3

AcFeO3 is a thermodynamically stable, semiconducting actinide-based oxide designed for potential use in oxygen-evolution catalysis.

Crystal structure of AcFeO3
Ground-state structure · Materials Project
Overview

About AcFeO3

AcFeO3 is a semiconducting oxide that sits firmly on the convex hull, indicating high thermodynamic stability. As a member of the oxygen-evolution catalyst class, it provides a robust structural framework for studying catalytic activity in electrochemical systems.

Its electronic character makes it a compelling candidate for advanced materials research. With multiple reported structures, this compound offers a versatile platform for exploring how actinide-based oxides can facilitate complex chemical transformations.

At a glance

Key Properties

Cross-validated computational properties for AcFeO3, aggregated across 3 databases.

Band Gap

0.99 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 1 space group
Uses

Applications

Where AcFeO3 is used.

Oxygen-evolution catalysisElectrochemical energy conversion research
Reference

Frequently Asked Questions

Common questions about AcFeO3, answered from cross-validated data.

What is AcFeO3?

AcFeO3 is a thermodynamically stable, semiconducting actinide-based oxide designed for potential use in oxygen-evolution catalysis.

More questions
What is AcFeO3 used for?
AcFeO3 is used in oxygen-evolution catalysis and electrochemical energy conversion research.
What is the band gap of AcFeO3?
AcFeO3 has a DFT-computed band gap of 0.99 eV across 4 reported structures.
Is AcFeO3 a metal, semiconductor, or insulator?
With a band gap up to 0.99 eV it is a semiconductor.
Is AcFeO3 thermodynamically stable?
Yes — AcFeO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of AcFeO3 are known?
4 structures of AcFeO3 are reported across 3 databases, spanning 1 distinct space group.
What elements does AcFeO3 contain?
AcFeO3 contains Ac, Fe, and O (3 elements).
Where does the data for AcFeO3 come from?
AcFeO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse family of oxygen-evolution catalysts, AcFeO3 distinguishes itself from transition-metal-only counterparts like NiO or LaMnO3 by incorporating actinide chemistry. While compounds such as BiFeO3 share similar perovskite-like structural motifs, the presence of actinium provides a unique electronic environment that differentiates its catalytic potential from more conventional oxides like LiCoO2 or LaNiO3.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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