Li2MnCr2O6

Li2MnCr2O6 is a semiconducting complex oxide of lithium, manganese, and chromium studied primarily for its potential role in advanced energy storage systems.

Crystal structure of Li2MnCr2O6
Ground-state structure · Materials Project
Overview

About Li2MnCr2O6

Li2MnCr2O6 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a member of the transition-metal oxide family, it represents an experimental composition within the broader landscape of lithium-ion battery materials research. Its structural configuration is of interest for understanding how mixed-metal cations influence the host lattice in lithium-based systems. Due to its position relative to the thermodynamic hull, it is considered a metastable phase that requires specific synthetic pathways to achieve stability. Its investigation contributes to the fundamental understanding of how chromium and manganese integration affects the electrochemical potential and structural integrity of layered oxides.

At a glance

Key Properties

Cross-validated computational properties for Li2MnCr2O6, aggregated across 3 databases.

Band Gap

0.64–1.24 eV
Range across DFT structures

Energy Above Hull

0.139 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where Li2MnCr2O6 is used.

Battery materials researchSolid-state ionics development
Reference

Frequently Asked Questions

Common questions about Li2MnCr2O6, answered from cross-validated data.

What is Li2MnCr2O6?

Li2MnCr2O6 is a semiconducting complex oxide of lithium, manganese, and chromium studied primarily for its potential role in advanced energy storage systems.

More questions
What is Li2MnCr2O6 used for?
Li2MnCr2O6 is used in battery materials research and solid-state ionics development.
What is the band gap of Li2MnCr2O6?
Li2MnCr2O6 has a DFT-computed band gap of 0.64–1.24 eV across 6 reported structures.
Is Li2MnCr2O6 a metal, semiconductor, or insulator?
With a band gap up to 1.24 eV it is a semiconductor.
Is Li2MnCr2O6 thermodynamically stable?
Li2MnCr2O6 has a lowest energy above hull of 0.139 eV/atom (above hull).
How many polymorphs of Li2MnCr2O6 are known?
6 structures of Li2MnCr2O6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li2MnCr2O6 contain?
Li2MnCr2O6 contains Cr, Li, Mn, and O (4 elements).
Where does the data for Li2MnCr2O6 come from?
Li2MnCr2O6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Compared to highly stable and widely utilized commercial cathodes like LiCoO2 and LiNiO2, Li2MnCr2O6 occupies a more niche, experimental position within the layered lithium transition-metal oxide class. While LiCoO2 is a benchmark for structural robustness, Li2MnCr2O6 presents a more complex, metastable framework that highlights the challenges of incorporating multiple transition metals into a single, stable layered architecture.

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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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