Li4MnCrO6

Li4MnCrO6 is a stable, semiconducting lithium transition-metal oxide used in the study of advanced battery materials.

Crystal structure of Li4MnCrO6
Ground-state structure · Materials Project
Overview

About Li4MnCrO6

Li4MnCrO6 belongs to the class of layered lithium transition-metal oxides, a group of materials central to the development of high-performance electrochemical energy storage. As a semiconducting oxide, it exhibits electronic properties that are highly relevant for ion transport and charge storage mechanisms within battery electrodes.

This compound is notable for its thermodynamic stability, as it sits on the convex hull, indicating a robust structural configuration. Its presence in multiple databases highlights its significance as a subject of ongoing investigation for next-generation cathode chemistries.

At a glance

Key Properties

Cross-validated computational properties for Li4MnCrO6, aggregated across 3 databases.

Band Gap

0.98–1.13 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

11
3 databases, 4 space groups
Uses

Applications

Where Li4MnCrO6 is used.

Lithium-ion battery researchElectrode material developmentEnergy storage materials science
Reference

Frequently Asked Questions

Common questions about Li4MnCrO6, answered from cross-validated data.

What is Li4MnCrO6?

Li4MnCrO6 is a stable, semiconducting lithium transition-metal oxide used in the study of advanced battery materials.

More questions
What is Li4MnCrO6 used for?
Li4MnCrO6 is used in lithium-ion battery research, electrode material development, and energy storage materials science.
What is the band gap of Li4MnCrO6?
Li4MnCrO6 has a DFT-computed band gap of 0.98–1.13 eV across 11 reported structures.
Is Li4MnCrO6 a metal, semiconductor, or insulator?
With a band gap up to 1.13 eV it is a semiconductor.
Is Li4MnCrO6 thermodynamically stable?
Yes — Li4MnCrO6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li4MnCrO6 are known?
11 structures of Li4MnCrO6 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li4MnCrO6 contain?
Li4MnCrO6 contains Cr, Li, Mn, and O (4 elements).
Where does the data for Li4MnCrO6 come from?
Li4MnCrO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Unlike the widely commercialized LiCoO2 or LiNiO2, which are primarily focused on high-energy density applications, Li4MnCrO6 offers a distinct structural framework within the layered oxide family. Its stability profile compares favorably to complex manganese-based siblings like Li2MnO3 and Li5Mn3O8, positioning it as a specialized candidate for researchers exploring alternative transition-metal compositions to optimize electrochemical performance.

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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