Li2CoO3

Li2CoO3 is a stable, semiconducting layered oxide of lithium and cobalt used in materials science research for battery development.

Crystal structure of Li2CoO3
Ground-state structure · Materials Project
Overview

About Li2CoO3

Li2CoO3 belongs to the class of layered lithium transition-metal oxides, a group of materials critical for energy storage technologies. As a semiconducting compound that sits on the convex hull, it exhibits significant thermodynamic stability, making it a subject of interest for structural studies and electrochemical research.

With numerous reported structures across major databases, this compound serves as a key reference point for understanding ion mobility and structural evolution in lithium-rich systems. Its unique arrangement of lithium, cobalt, and oxygen atoms provides a framework for investigating the complex behavior of transition metals in oxide lattices.

At a glance

Key Properties

Cross-validated computational properties for Li2CoO3, aggregated across 3 databases.

Band Gap

0.03–1.19 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

31
3 databases, 8 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li2CoO3.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Li2CoO3 is used.

Battery materials researchSolid-state ionicsElectrochemical energy storage studies
Reference

Frequently Asked Questions

Common questions about Li2CoO3, answered from cross-validated data.

What is Li2CoO3?

Li2CoO3 is a stable, semiconducting layered oxide of lithium and cobalt used in materials science research for battery development.

More questions
What is Li2CoO3 used for?
Li2CoO3 is used in battery materials research, solid-state ionics, and electrochemical energy storage studies.
What is the band gap of Li2CoO3?
Li2CoO3 has a DFT-computed band gap of 0.03–1.19 eV across 31 reported structures.
Is Li2CoO3 a metal, semiconductor, or insulator?
With a band gap up to 1.19 eV it is a semiconductor.
Is Li2CoO3 thermodynamically stable?
Yes — Li2CoO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li2CoO3 are known?
31 structures of Li2CoO3 are reported across 3 databases, spanning 8 distinct space groups.
How is Li2CoO3 synthesized?
Literature-reported routes for Li2CoO3 include solid state.
What elements does Li2CoO3 contain?
Li2CoO3 contains Co, Li, and O (3 elements).
Where does the data for Li2CoO3 come from?
Li2CoO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the family of layered lithium transition-metal oxides, Li2CoO3 shares structural motifs with well-known battery cathode materials like LiCoO2 and Li2MnO3. While LiCoO2 is the industry standard for high-energy density applications, Li2CoO3 offers a distinct stoichiometry that allows researchers to probe the limits of lithium content and cobalt oxidation states compared to its more common siblings.

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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