Li3Co2NiO6

Li3Co2NiO6 is a semiconducting layered oxide material studied for its potential use as a cathode component in high-performance lithium-ion batteries.

Crystal structure of Li3Co2NiO6
Ground-state structure · Materials Project
Overview

About Li3Co2NiO6

Li3Co2NiO6 belongs to the family of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. Its composition allows for a complex arrangement of lithium and transition metal ions, which is critical for understanding ion transport and structural integrity in energy storage materials. Being near-hull, this compound is considered a viable target for experimental synthesis and further electrochemical characterization. It represents a significant point of interest for researchers looking to optimize cathode performance through transition metal substitution. The material is primarily investigated for its potential role in next-generation lithium-ion battery technologies where structural stability and electronic conductivity are paramount.

At a glance

Key Properties

Cross-validated computational properties for Li3Co2NiO6, aggregated across 3 databases.

Band Gap

0.32 eV
Range across DFT structures

Energy Above Hull

0.014 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

27
3 databases, 6 space groups
Uses

Applications

Where Li3Co2NiO6 is used.

Lithium-ion battery cathode researchEnergy storage material development
Reference

Frequently Asked Questions

Common questions about Li3Co2NiO6, answered from cross-validated data.

What is Li3Co2NiO6?

Li3Co2NiO6 is a semiconducting layered oxide material studied for its potential use as a cathode component in high-performance lithium-ion batteries.

More questions
What is Li3Co2NiO6 used for?
Li3Co2NiO6 is used in lithium-ion battery cathode research and energy storage material development.
What is the band gap of Li3Co2NiO6?
Li3Co2NiO6 has a DFT-computed band gap of 0.32 eV across 27 reported structures.
Is Li3Co2NiO6 a metal, semiconductor, or insulator?
With a band gap up to 0.32 eV it is a semiconductor.
Is Li3Co2NiO6 thermodynamically stable?
Li3Co2NiO6 has a lowest energy above hull of 0.014 eV/atom (near hull (likely stable)).
How many polymorphs of Li3Co2NiO6 are known?
27 structures of Li3Co2NiO6 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Li3Co2NiO6 contain?
Li3Co2NiO6 contains Co, Li, Ni, and O (4 elements).
Where does the data for Li3Co2NiO6 come from?
Li3Co2NiO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the extensive class of layered lithium transition-metal oxides, Li3Co2NiO6 occupies a unique position by balancing the properties of its cobalt and nickel-rich counterparts. Unlike the well-established LiCoO2, which is a standard industry cathode material, Li3Co2NiO6 offers a more complex stoichiometry that may provide distinct advantages in capacity or voltage stability, positioning it as a sophisticated alternative to simpler binary transition metal systems.

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Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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