Li3Co2O5

Li3Co2O5 is a metastable, semiconducting layered lithium transition-metal oxide used primarily in fundamental materials science research.

Crystal structure of Li3Co2O5
Ground-state structure · Materials Project
Overview

About Li3Co2O5

Li3Co2O5 is a complex layered lithium transition-metal oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural configuration within the lithium-cobalt-oxygen system, offering researchers insights into the phase stability of cathode-related materials.

Its significance lies in its structural diversity, with numerous reported configurations across major materials databases. This makes it a subject of interest for fundamental studies aimed at understanding how transition-metal arrangements influence the electrochemical potential and structural integrity of layered oxides.

At a glance

Key Properties

Cross-validated computational properties for Li3Co2O5, aggregated across 3 databases.

Band Gap

0.03–1.06 eV
Range across DFT structures

Energy Above Hull

0.028 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

27
3 databases, 3 space groups
Uses

Applications

Where Li3Co2O5 is used.

Battery materials researchSolid-state chemistry studiesPhase stability modeling
Reference

Frequently Asked Questions

Common questions about Li3Co2O5, answered from cross-validated data.

What is Li3Co2O5?

Li3Co2O5 is a metastable, semiconducting layered lithium transition-metal oxide used primarily in fundamental materials science research.

More questions
What is Li3Co2O5 used for?
Li3Co2O5 is used in battery materials research, solid-state chemistry studies, and phase stability modeling.
What is the band gap of Li3Co2O5?
Li3Co2O5 has a DFT-computed band gap of 0.03–1.06 eV across 27 reported structures.
Is Li3Co2O5 a metal, semiconductor, or insulator?
With a band gap up to 1.06 eV it is a semiconductor.
Is Li3Co2O5 thermodynamically stable?
Li3Co2O5 has a lowest energy above hull of 0.028 eV/atom (metastable).
How many polymorphs of Li3Co2O5 are known?
27 structures of Li3Co2O5 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li3Co2O5 contain?
Li3Co2O5 contains Co, Li, and O (3 elements).
Where does the data for Li3Co2O5 come from?
Li3Co2O5 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, Li3Co2O5 stands out as a metastable alternative to the highly stable and commercially ubiquitous LiCoO2. While LiCoO2 serves as the industry standard for cathode performance, Li3Co2O5 provides a distinct structural template that helps researchers map the broader stability landscape of lithium-based oxides, contrasting with the more common spinel or layered structures like LiMn2O4 or LiNiO2.

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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