Li4MgNi3O8

Li4MgNi3O8 is a semiconducting layered oxide material being studied for its potential utility in next-generation lithium-ion battery cathode applications.

Crystal structure of Li4MgNi3O8
Ground-state structure · Materials Project
Overview

About Li4MgNi3O8

Li4MgNi3O8 is a complex layered lithium transition-metal oxide that belongs to a critical family of materials used in electrochemical energy storage. Its semiconducting electronic character and structural configuration make it a subject of interest for researchers aiming to optimize ion mobility and structural integrity in battery systems.

As a material positioned near the thermodynamic hull, this compound is considered a viable candidate for experimental synthesis. Its unique arrangement of lithium, magnesium, and nickel within an oxygen framework provides a distinct platform for investigating the effects of cation substitution on electrochemical performance.

At a glance

Key Properties

Cross-validated computational properties for Li4MgNi3O8, aggregated across 2 databases.

Band Gap

0.23–0.76 eV
Range across DFT structures

Energy Above Hull

0.010 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

13
2 databases, 4 space groups
Uses

Applications

Where Li4MgNi3O8 is used.

Lithium-ion battery cathode researchEnergy storage material development
Reference

Frequently Asked Questions

Common questions about Li4MgNi3O8, answered from cross-validated data.

What is Li4MgNi3O8?

Li4MgNi3O8 is a semiconducting layered oxide material being studied for its potential utility in next-generation lithium-ion battery cathode applications.

More questions
What is Li4MgNi3O8 used for?
Li4MgNi3O8 is used in lithium-ion battery cathode research and energy storage material development.
What is the band gap of Li4MgNi3O8?
Li4MgNi3O8 has a DFT-computed band gap of 0.23–0.76 eV across 13 reported structures.
Is Li4MgNi3O8 a metal, semiconductor, or insulator?
With a band gap up to 0.76 eV it is a semiconductor.
Is Li4MgNi3O8 thermodynamically stable?
Li4MgNi3O8 has a lowest energy above hull of 0.010 eV/atom (near hull (likely stable)).
How many polymorphs of Li4MgNi3O8 are known?
13 structures of Li4MgNi3O8 are reported across 2 databases, spanning 4 distinct space groups.
What elements does Li4MgNi3O8 contain?
Li4MgNi3O8 contains Li, Mg, Ni, and O (4 elements).
Where does the data for Li4MgNi3O8 come from?
Li4MgNi3O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the diverse class of layered lithium transition-metal oxides, Li4MgNi3O8 serves as an intriguing alternative to industry standards like LiCoO2 and LiNiO2. While those materials are widely utilized for their high capacity, the inclusion of magnesium in this structure offers a different approach to stabilizing the host lattice compared to the manganese-based variants like Li5Mn3O8 or Li3Mn4O8.

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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