Li3Al2FeO6

Li3Al2FeO6 is a metastable, semiconducting layered oxide containing lithium, aluminum, and iron used in materials science research.

Crystal structure of Li3Al2FeO6
Ground-state structure · Materials Project
Overview

About Li3Al2FeO6

Li3Al2FeO6 is a complex, semiconducting oxide belonging to the class of layered lithium transition-metal materials. Its composition incorporates aluminum and iron within a lithium-oxygen framework, reflecting the structural diversity found in modern energy storage research. As a metastable phase, it represents a unique configuration of transition metals that is of significant interest for understanding ion mobility and structural stability. Its specific electronic character makes it a subject of investigation for potential electrochemical applications.

At a glance

Key Properties

Cross-validated computational properties for Li3Al2FeO6, aggregated across 3 databases.

Band Gap

2.38–2.68 eV
Range across DFT structures

Energy Above Hull

0.030 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

7
3 databases, 3 space groups
Uses

Applications

Where Li3Al2FeO6 is used.

Battery materials researchSolid-state ionicsElectrochemical energy storage studies
Reference

Frequently Asked Questions

Common questions about Li3Al2FeO6, answered from cross-validated data.

What is Li3Al2FeO6?

Li3Al2FeO6 is a metastable, semiconducting layered oxide containing lithium, aluminum, and iron used in materials science research.

More questions
What is Li3Al2FeO6 used for?
Li3Al2FeO6 is used in battery materials research, solid-state ionics, and electrochemical energy storage studies.
What is the band gap of Li3Al2FeO6?
Li3Al2FeO6 has a DFT-computed band gap of 2.38–2.68 eV across 7 reported structures.
Is Li3Al2FeO6 a metal, semiconductor, or insulator?
With a band gap up to 2.68 eV it is a semiconductor.
Is Li3Al2FeO6 thermodynamically stable?
Li3Al2FeO6 has a lowest energy above hull of 0.030 eV/atom (metastable).
How many polymorphs of Li3Al2FeO6 are known?
7 structures of Li3Al2FeO6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li3Al2FeO6 contain?
Li3Al2FeO6 contains Al, Fe, Li, and O (4 elements).
Where does the data for Li3Al2FeO6 come from?
Li3Al2FeO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the broad family of layered lithium transition-metal oxides, Li3Al2FeO6 occupies a distinct niche compared to well-established cathode materials like LiCoO2 or LiNiO2. While many of its siblings are optimized for high-capacity cycling, this compound serves as a critical structural variant that helps researchers map the stability limits and phase behavior of lithium-rich oxides, contrasting with the more common, thermodynamically stable architectures found in commercial battery components.

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Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

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

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