Li3FeO4

Li3FeO4 is a semiconducting iron-based oxide that serves as a potential catalyst for oxygen-evolution reactions in electrochemical energy storage and conversion.

Crystal structure of Li3FeO4
Ground-state structure · Materials Project
Overview

About Li3FeO4

Li3FeO4 is a semiconducting oxide that functions within the class of oxygen-evolution catalysts. Its proximity to the thermodynamic hull suggests it is a viable candidate for synthesis and experimental investigation in electrochemical systems.

As a material characterized by its specific electronic structure, it plays a role in the ongoing search for efficient catalysts to facilitate water splitting. Its potential stability makes it a noteworthy addition to the exploration of lithium-based transition metal oxides for energy conversion applications.

At a glance

Key Properties

Cross-validated computational properties for Li3FeO4, aggregated across 3 databases.

Band Gap

0.19–0.33 eV
Range across DFT structures

Energy Above Hull

0.016 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

13
3 databases, 7 space groups
Uses

Applications

Where Li3FeO4 is used.

Oxygen-evolution catalysisElectrochemical energy conversion research
Reference

Frequently Asked Questions

Common questions about Li3FeO4, answered from cross-validated data.

What is Li3FeO4?

Li3FeO4 is a semiconducting iron-based oxide that serves as a potential catalyst for oxygen-evolution reactions in electrochemical energy storage and conversion.

More questions
What is Li3FeO4 used for?
Li3FeO4 is used in oxygen-evolution catalysis and electrochemical energy conversion research.
What is the band gap of Li3FeO4?
Li3FeO4 has a DFT-computed band gap of 0.19–0.33 eV across 13 reported structures.
Is Li3FeO4 a metal, semiconductor, or insulator?
With a band gap up to 0.33 eV it is a semiconductor.
Is Li3FeO4 thermodynamically stable?
Li3FeO4 has a lowest energy above hull of 0.016 eV/atom (near hull (likely stable)).
How many polymorphs of Li3FeO4 are known?
13 structures of Li3FeO4 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Li3FeO4 contain?
Li3FeO4 contains Fe, Li, and O (3 elements).
Where does the data for Li3FeO4 come from?
Li3FeO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse group of oxide oxygen-evolution catalysts, Li3FeO4 occupies a unique niche compared to more conventional cathode materials like LiCoO2 or LiMn2O4. While compounds such as LaNiO3 or BiFeO3 are frequently studied for their complex magnetic or electronic properties, Li3FeO4 represents a distinct compositional approach to balancing lithium content with iron-based catalytic activity.

Explore

Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

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

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