LiCrCoO4

LiCrCoO4 is a metastable, semiconducting lithium transition-metal oxide used in the study of advanced battery cathode materials.

Crystal structure of LiCrCoO4
Ground-state structure · Materials Project
Overview

About LiCrCoO4

LiCrCoO4 is a complex layered lithium transition-metal oxide that features a semiconducting electronic structure. As a metastable phase, it represents a unique configuration within the broader family of lithium-based intercalation materials, offering researchers a distinct structural framework for studying ion mobility and electronic behavior.

This compound is primarily of interest in the field of electrochemical energy storage. Its specific arrangement of lithium, chromium, cobalt, and oxygen atoms makes it a subject of investigation for potential use in next-generation battery cathodes, where the interplay between transition metals is critical for performance.

At a glance

Key Properties

Cross-validated computational properties for LiCrCoO4, aggregated across 3 databases.

Band Gap

0.05–0.36 eV
Range across DFT structures

Energy Above Hull

0.027 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

8
3 databases, 4 space groups
Uses

Applications

Where LiCrCoO4 is used.

Battery researchElectrochemical energy storage development
Reference

Frequently Asked Questions

Common questions about LiCrCoO4, answered from cross-validated data.

What is LiCrCoO4?

LiCrCoO4 is a metastable, semiconducting lithium transition-metal oxide used in the study of advanced battery cathode materials.

More questions
What is LiCrCoO4 used for?
LiCrCoO4 is used in battery research and electrochemical energy storage development.
What is the band gap of LiCrCoO4?
LiCrCoO4 has a DFT-computed band gap of 0.05–0.36 eV across 8 reported structures.
Is LiCrCoO4 a metal, semiconductor, or insulator?
With a band gap up to 0.36 eV it is a semiconductor.
Is LiCrCoO4 thermodynamically stable?
LiCrCoO4 has a lowest energy above hull of 0.027 eV/atom (metastable).
How many polymorphs of LiCrCoO4 are known?
8 structures of LiCrCoO4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does LiCrCoO4 contain?
LiCrCoO4 contains Co, Cr, Li, and O (4 elements).
Where does the data for LiCrCoO4 come from?
LiCrCoO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the expansive class of layered lithium transition-metal oxides, LiCrCoO4 occupies a niche position compared to widely utilized industry standards like LiCoO2. While LiCoO2 is celebrated for its thermodynamic stability and established commercial viability, LiCrCoO4 is characterized by its metastable nature, which provides a different set of challenges and opportunities for structural tuning in experimental battery research.

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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