Li3CoO3

Li3CoO3 is a metastable, semiconducting lithium transition-metal oxide used primarily in fundamental materials science research for energy storage applications.

Crystal structure of Li3CoO3
Ground-state structure · Materials Project
Overview

About Li3CoO3

Li3CoO3 is a semiconducting member of the layered lithium transition-metal oxide family. As a metastable phase, it represents a complex structural arrangement within the lithium-cobalt-oxygen system, offering unique insights into the coordination environments of transition metals in lithium-rich environments.

This compound is primarily of interest in the study of high-capacity energy storage materials. Its structural characteristics and electronic behavior make it a subject of investigation for researchers aiming to understand the phase stability and electrochemical potential of lithium-based oxides.

At a glance

Key Properties

Cross-validated computational properties for Li3CoO3, aggregated across 3 databases.

Band Gap

1.21–1.30 eV
Range across DFT structures

Energy Above Hull

0.045 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

8
3 databases, 2 space groups
Uses

Applications

Where Li3CoO3 is used.

Energy storage materials researchLithium-ion battery cathode developmentSolid-state ionics research
Reference

Frequently Asked Questions

Common questions about Li3CoO3, answered from cross-validated data.

What is Li3CoO3?

Li3CoO3 is a metastable, semiconducting lithium transition-metal oxide used primarily in fundamental materials science research for energy storage applications.

More questions
What is Li3CoO3 used for?
Li3CoO3 is used in energy storage materials research, lithium-ion battery cathode development, and solid-state ionics research.
What is the band gap of Li3CoO3?
Li3CoO3 has a DFT-computed band gap of 1.21–1.30 eV across 8 reported structures.
Is Li3CoO3 a metal, semiconductor, or insulator?
With a band gap up to 1.30 eV it is a semiconductor.
Is Li3CoO3 thermodynamically stable?
Li3CoO3 has a lowest energy above hull of 0.045 eV/atom (metastable).
How many polymorphs of Li3CoO3 are known?
8 structures of Li3CoO3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li3CoO3 contain?
Li3CoO3 contains Co, Li, and O (3 elements).
Where does the data for Li3CoO3 come from?
Li3CoO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

While LiCoO2 is the industry standard for cathode materials due to its high stability and performance, Li3CoO3 exists as a metastable alternative with a distinct lithium-to-cobalt ratio. Unlike the more common commercial oxides, its structural configuration highlights the diverse ways lithium can integrate into transition-metal frameworks, positioning it as a specialized research material compared to the more widely utilized LiNiO2 or LiMn2O4.

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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