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

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.
Key Properties
Cross-validated computational properties for Li3FeO3, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where Li3FeO3 is used.
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.
What is Li3FeO3 used for?
What is the band gap of Li3FeO3?
Is Li3FeO3 a metal, semiconductor, or insulator?
Is Li3FeO3 thermodynamically stable?
How many polymorphs of Li3FeO3 are known?
What elements does Li3FeO3 contain?
Where does the data for Li3FeO3 come from?
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.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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