LiAlFeO4

LiAlFeO4 is a semimetallic, metastable layered lithium transition-metal oxide used primarily in fundamental materials science research.

Crystal structure of LiAlFeO4
Ground-state structure · Materials Project
Overview

About LiAlFeO4

LiAlFeO4 is a complex lithium transition-metal oxide characterized by a near-zero-gap electronic structure. As a member of the layered oxide family, it represents a multifaceted inorganic material that has been documented across multiple structural databases, reflecting significant interest in its potential configurations.

Due to its position above the thermodynamic hull, this compound is considered metastable, posing challenges for traditional synthesis. Its unique composition of lithium, aluminum, iron, and oxygen makes it a subject of fundamental research into the electronic behavior of transition-metal oxides.

At a glance

Key Properties

Cross-validated computational properties for LiAlFeO4, aggregated across 3 databases.

Band Gap

0.09 eV
Range across DFT structures

Energy Above Hull

0.102 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

11
3 databases, 3 space groups
Uses

Applications

Where LiAlFeO4 is used.

Materials science researchSolid-state chemistry studiesElectronic property investigation
Reference

Frequently Asked Questions

Common questions about LiAlFeO4, answered from cross-validated data.

What is LiAlFeO4?

LiAlFeO4 is a semimetallic, metastable layered lithium transition-metal oxide used primarily in fundamental materials science research.

More questions
What is LiAlFeO4 used for?
LiAlFeO4 is used in materials science research, solid-state chemistry studies, and electronic property investigation.
What is the band gap of LiAlFeO4?
LiAlFeO4 has a DFT-computed band gap of 0.09 eV across 11 reported structures.
Is LiAlFeO4 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is LiAlFeO4 thermodynamically stable?
LiAlFeO4 has a lowest energy above hull of 0.102 eV/atom (above hull).
How many polymorphs of LiAlFeO4 are known?
11 structures of LiAlFeO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does LiAlFeO4 contain?
LiAlFeO4 contains Al, Fe, Li, and O (4 elements).
Where does the data for LiAlFeO4 come from?
LiAlFeO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Unlike the highly stable and commercially ubiquitous LiCoO2 or the spinel-structured LiMn2O4, LiAlFeO4 exhibits a semimetallic character and lacks the robust thermodynamic stability found in its more common class siblings. While materials like LiAlO2 are often utilized for their structural stability, LiAlFeO4 remains a more experimental candidate within the layered oxide group.

Explore

Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

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

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