Li4CoNi3O8

Li4CoNi3O8 is a semimetallic layered lithium transition-metal oxide that is considered a promising, synthesizable candidate for advanced energy storage applications.

Crystal structure of Li4CoNi3O8
Ground-state structure · Materials Project
Overview

About Li4CoNi3O8

Li4CoNi3O8 belongs to the class of layered lithium transition-metal oxides, a group of materials critical for modern electrochemical energy storage. This specific compound exhibits a near-zero-gap electronic character, placing it in the semimetallic regime, which distinguishes it from the more common insulating or semiconducting oxides in this family. Its thermodynamic proximity to the stability hull suggests that it is a viable candidate for experimental synthesis and further characterization in laboratory settings. The material is of significant interest to researchers investigating novel cathode architectures that require specific electronic conductivity profiles to enhance charge transport. By balancing lithium, cobalt, nickel, and oxygen, it offers a unique structural framework that may provide alternative pathways for ion mobility compared to traditional binary or ternary transition-metal oxides.

At a glance

Key Properties

Cross-validated computational properties for Li4CoNi3O8, aggregated across 3 databases.

Band Gap

0.07 eV
Range across DFT structures

Energy Above Hull

0.010 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 2 space groups
Uses

Applications

Where Li4CoNi3O8 is used.

Lithium-ion battery cathode researchElectrochemical energy storage materialsSolid-state ionics
Reference

Frequently Asked Questions

Common questions about Li4CoNi3O8, answered from cross-validated data.

What is Li4CoNi3O8?

Li4CoNi3O8 is a semimetallic layered lithium transition-metal oxide that is considered a promising, synthesizable candidate for advanced energy storage applications.

More questions
What is Li4CoNi3O8 used for?
Li4CoNi3O8 is used in lithium-ion battery cathode research, electrochemical energy storage materials, and solid-state ionics.
What is the band gap of Li4CoNi3O8?
Li4CoNi3O8 has a DFT-computed band gap of 0.07 eV across 5 reported structures.
Is Li4CoNi3O8 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Li4CoNi3O8 thermodynamically stable?
Li4CoNi3O8 has a lowest energy above hull of 0.010 eV/atom (near hull (likely stable)).
How many polymorphs of Li4CoNi3O8 are known?
5 structures of Li4CoNi3O8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li4CoNi3O8 contain?
Li4CoNi3O8 contains Co, Li, Ni, and O (4 elements).
Where does the data for Li4CoNi3O8 come from?
Li4CoNi3O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the diverse family of layered lithium transition-metal oxides, Li4CoNi3O8 occupies a distinct niche compared to well-established benchmarks like LiCoO2 and LiNiO2. While LiCoO2 is widely recognized for its robust stability and commercial dominance as a cathode material, Li4CoNi3O8 offers a more complex, mixed-metal cation arrangement that alters its electronic landscape toward a semimetallic state. Unlike LiAlO2, which serves primarily as a stable, wide-gap structural component, this compound is engineered to leverage the redox activity of its transition-metal components, positioning it as a more electronically active participant in electrochemical 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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