Li3FeO3

Li3FeO3 is a metastable, semiconducting lithium iron oxide studied for its potential role in oxygen-evolution catalytic processes.

Crystal structure of Li3FeO3
Ground-state structure · Materials Project
Overview

About Li3FeO3

Li3FeO3 is a semiconducting oxide that functions within the broader category of oxygen-evolution catalysts. As a metastable phase, it represents a complex structural arrangement of lithium, iron, and oxygen atoms that is of significant interest for fundamental materials research.

Its electronic character and compositional flexibility make it a subject of study in electrochemical systems. By exploring its structural diversity, researchers aim to better understand the catalytic pathways required for efficient oxygen production in sustainable energy applications.

At a glance

Key Properties

Cross-validated computational properties for Li3FeO3, aggregated across 3 databases.

Band Gap

0.27–2.34 eV
Range across DFT structures

Energy Above Hull

0.046 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

20
3 databases, 12 space groups
Uses

Applications

Where Li3FeO3 is used.

Oxygen-evolution catalysis researchElectrochemical energy storage studies
Reference

Frequently Asked Questions

Common questions about Li3FeO3, answered from cross-validated data.

What is Li3FeO3?

Li3FeO3 is a metastable, semiconducting lithium iron oxide studied for its potential role in oxygen-evolution catalytic processes.

More questions
What is Li3FeO3 used for?
Li3FeO3 is used in oxygen-evolution catalysis research and electrochemical energy storage studies.
What is the band gap of Li3FeO3?
Li3FeO3 has a DFT-computed band gap of 0.27–2.34 eV across 20 reported structures.
Is Li3FeO3 a metal, semiconductor, or insulator?
With a band gap up to 2.34 eV it is a semiconductor.
Is Li3FeO3 thermodynamically stable?
Li3FeO3 has a lowest energy above hull of 0.046 eV/atom (metastable).
How many polymorphs of Li3FeO3 are known?
20 structures of Li3FeO3 are reported across 3 databases, spanning 12 distinct space groups.
What elements does Li3FeO3 contain?
Li3FeO3 contains Fe, Li, and O (3 elements).
Where does the data for Li3FeO3 come from?
Li3FeO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse landscape of oxide oxygen-evolution catalysts, Li3FeO3 occupies a distinct niche compared to more conventional materials like LiCoO2 or LiMn2O4. While compounds such as LiCoO2 are widely utilized as stable cathode materials, Li3FeO3 is characterized by its metastable nature, which differentiates its reactivity and structural behavior from the more thermodynamically robust members of the class like NiO.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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