Li2Mn2CrO6

Li2Mn2CrO6 is a semiconducting layered lithium transition-metal oxide investigated for its potential role in advanced battery cathode materials.

Crystal structure of Li2Mn2CrO6
Ground-state structure · Materials Project
Overview

About Li2Mn2CrO6

Li2Mn2CrO6 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a complex oxide containing manganese and chromium, it represents an experimental candidate for advanced energy storage research. Its structural configuration is designed to facilitate lithium-ion mobility, which is critical for high-performance electrochemical applications. Although it is currently identified as being above the thermodynamic hull, its complex chemistry provides valuable insights into the stability and performance limits of multi-metal oxide systems. The material is studied primarily for its potential to optimize cathode performance in next-generation battery architectures.

At a glance

Key Properties

Cross-validated computational properties for Li2Mn2CrO6, aggregated across 3 databases.

Band Gap

1.03–1.25 eV
Range across DFT structures

Energy Above Hull

0.178 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

8
3 databases, 3 space groups
Uses

Applications

Where Li2Mn2CrO6 is used.

Battery researchElectrochemical energy storage development
Reference

Frequently Asked Questions

Common questions about Li2Mn2CrO6, answered from cross-validated data.

What is Li2Mn2CrO6?

Li2Mn2CrO6 is a semiconducting layered lithium transition-metal oxide investigated for its potential role in advanced battery cathode materials.

More questions
What is Li2Mn2CrO6 used for?
Li2Mn2CrO6 is used in battery research and electrochemical energy storage development.
What is the band gap of Li2Mn2CrO6?
Li2Mn2CrO6 has a DFT-computed band gap of 1.03–1.25 eV across 8 reported structures.
Is Li2Mn2CrO6 a metal, semiconductor, or insulator?
With a band gap up to 1.25 eV it is a semiconductor.
Is Li2Mn2CrO6 thermodynamically stable?
Li2Mn2CrO6 has a lowest energy above hull of 0.178 eV/atom (above hull).
How many polymorphs of Li2Mn2CrO6 are known?
8 structures of Li2Mn2CrO6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li2Mn2CrO6 contain?
Li2Mn2CrO6 contains Cr, Li, Mn, and O (4 elements).
Where does the data for Li2Mn2CrO6 come from?
Li2Mn2CrO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Unlike the highly stable and commercially ubiquitous LiCoO2 or the widely studied LiMn2O4, Li2Mn2CrO6 exists in a metastable state that presents unique challenges for synthesis and long-term cycling. While siblings like LiNiO2 and Li2MnO3 are established benchmarks for layered oxide performance, this compound occupies a more specialized niche, serving as a platform for investigating how chromium substitution influences the structural integrity and electronic behavior of manganese-rich layered frameworks.

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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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