Li5Co3O8

Li5Co3O8 is a metastable semiconducting oxide containing lithium, cobalt, and oxygen that is primarily studied for its potential roles in advanced battery technologies.

Crystal structure of Li5Co3O8 (monoclinic, P2/m (No. 10))
Ground-state structure · Materials Project
Overview

About Li5Co3O8

Li5Co3O8 is a semiconducting lithium transition-metal oxide that belongs to a complex family of materials often investigated for electrochemical energy storage. As a metastable phase, it represents a unique structural arrangement within the lithium-cobalt-oxygen system, offering researchers insights into the coordination environments of cobalt ions in lithium-rich environments.

Its significance lies in its potential as a model system for understanding ion transport and structural evolution in battery cathodes. Because of its metastable nature, it is frequently studied to determine how synthesis conditions influence its long-term stability and electronic behavior in practical applications.

At a glance

Key Properties

Cross-validated computational properties for Li5Co3O8, aggregated across 3 databases.

Band Gap

0.09–0.37 eV
Range across DFT structures

Energy Above Hull

0.040 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

39
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li5Co3O8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P2/m (No. 10)monoclinic0.000.0399-6.1374.06
C2/m (No. 12)monoclinic0.000.0413-6.1364.06
P-1 (No. 2)triclinic0.270.0422-6.1354.08
P-1 (No. 2)triclinic0.000.0541-6.1234.27
R-3m (No. 166)trigonal0.000.0672-6.1104.04
P-1 (No. 2)triclinic0.140.0755-6.1023.99
C2/m (No. 12)monoclinic0.000.0852-6.0924.11
P2/m (No. 10)monoclinic0.090.0860-6.0914.47
P-1 (No. 2)triclinic0.370.0948-6.0823.97
C2/m (No. 12)monoclinic0.130.0952-6.0824.00
P-1 (No. 2)triclinic0.340.0961-6.0813.99
P-1 (No. 2)triclinic0.280.0966-6.0814.01
Uses

Applications

Where Li5Co3O8 is used.

Battery cathode researchEnergy storage materials developmentSolid-state ionics studies
Reference

Frequently Asked Questions

Common questions about Li5Co3O8, answered from cross-validated data.

What is Li5Co3O8?

Li5Co3O8 is a metastable semiconducting oxide containing lithium, cobalt, and oxygen that is primarily studied for its potential roles in advanced battery technologies.

More questions
What is Li5Co3O8 used for?
Li5Co3O8 is used in battery cathode research, energy storage materials development, and solid-state ionics studies.
What is the band gap of Li5Co3O8?
Li5Co3O8 has a DFT-computed band gap of 0.09–0.37 eV across 39 reported structures.
Is Li5Co3O8 a metal, semiconductor, or insulator?
With a band gap up to 0.37 eV it is a semiconductor.
Is Li5Co3O8 thermodynamically stable?
Li5Co3O8 has a lowest energy above hull of 0.040 eV/atom (metastable).
What is the crystal structure of Li5Co3O8?
The lowest-energy reported polymorph of Li5Co3O8 is monoclinic symmetry, space group P2/m (No. 10).
What is the density of Li5Co3O8?
The computed density of the ground-state structure of Li5Co3O8 is 4.06 g/cm³.
How many polymorphs of Li5Co3O8 are known?
39 structures of Li5Co3O8 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li5Co3O8 contain?
Li5Co3O8 contains Co, Li, and O (3 elements).
Where does the data for Li5Co3O8 come from?
Li5Co3O8 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the broad class of layered lithium transition-metal oxides, Li5Co3O8 occupies a distinct position compared to more common commercial materials like LiCoO2. While LiCoO2 is a highly stable, widely utilized cathode material, Li5Co3O8 is characterized by its metastability and unique stoichiometry, making it a subject of fundamental research rather than current large-scale industrial implementation.

Explore

Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

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