Li4MnCr5O12

Li4MnCr5O12 is a semimetallic, multi-cation lithium transition-metal oxide primarily investigated for its complex structural behavior and potential applications in energy storage research.

Crystal structure of Li4MnCr5O12
Ground-state structure · Materials Project
Overview

About Li4MnCr5O12

Li4MnCr5O12 belongs to the class of layered lithium transition-metal oxides, a group of materials extensively studied for their electrochemical properties. This specific compound exhibits a near-zero-gap electronic character, placing it in the semimetallic regime, which distinguishes it from many of the insulating or semiconducting oxides in this family.

Due to its position above the thermodynamic hull, this material is considered likely unstable under standard conditions. Despite this, its structural diversity is evidenced by multiple reported configurations across various databases, making it an intriguing subject for fundamental studies into the stability and phase behavior of multi-metal lithium oxides.

At a glance

Key Properties

Cross-validated computational properties for Li4MnCr5O12, aggregated across 3 databases.

Band Gap

0.09 eV
Range across DFT structures

Energy Above Hull

0.138 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li4MnCr5O12 is used.

Lithium-ion battery researchElectrochemical material developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Li4MnCr5O12, answered from cross-validated data.

What is Li4MnCr5O12?

Li4MnCr5O12 is a semimetallic, multi-cation lithium transition-metal oxide primarily investigated for its complex structural behavior and potential applications in energy storage research.

More questions
What is Li4MnCr5O12 used for?
Li4MnCr5O12 is used in lithium-ion battery research, electrochemical material development, and solid-state chemistry studies.
What is the band gap of Li4MnCr5O12?
Li4MnCr5O12 has a DFT-computed band gap of 0.09 eV across 5 reported structures.
Is Li4MnCr5O12 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Li4MnCr5O12 thermodynamically stable?
Li4MnCr5O12 has a lowest energy above hull of 0.138 eV/atom (above hull).
How many polymorphs of Li4MnCr5O12 are known?
5 structures of Li4MnCr5O12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li4MnCr5O12 contain?
Li4MnCr5O12 contains Cr, Li, Mn, and O (4 elements).
Where does the data for Li4MnCr5O12 come from?
Li4MnCr5O12 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 spinel-structured LiMn2O4, Li4MnCr5O12 represents a more complex, multi-cation system that struggles to maintain the same level of thermodynamic favorability. While siblings like LiNiO2 are widely utilized for their high capacity, this compound serves primarily as a research-grade material for exploring the limits of transition-metal substitution in layered oxide frameworks.

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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