Li3MnCr3O8

Li3MnCr3O8 is a semiconducting, metastable layered lithium transition-metal oxide used in advanced materials research for battery technology.

Crystal structure of Li3MnCr3O8
Ground-state structure · Materials Project
Overview

About Li3MnCr3O8

Li3MnCr3O8 belongs to the class of layered lithium transition-metal oxides, characterized by a complex arrangement of lithium and transition metal cations within an oxygen framework. As a semiconducting material, it represents a specialized composition designed to investigate the interplay between manganese and chromium in electrochemical systems.

While this compound is classified as metastable, its existence across multiple structural configurations highlights its significance in materials discovery. It serves as a platform for understanding how mixed-metal substitution influences the stability and electronic properties of lithium-based oxide cathodes.

At a glance

Key Properties

Cross-validated computational properties for Li3MnCr3O8, aggregated across 3 databases.

Band Gap

0.57–1.72 eV
Range across DFT structures

Energy Above Hull

0.078 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where Li3MnCr3O8 is used.

Battery electrode researchSolid-state ionicsMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Li3MnCr3O8, answered from cross-validated data.

What is Li3MnCr3O8?

Li3MnCr3O8 is a semiconducting, metastable layered lithium transition-metal oxide used in advanced materials research for battery technology.

More questions
What is Li3MnCr3O8 used for?
Li3MnCr3O8 is used in battery electrode research, solid-state ionics, and materials science exploration.
What is the band gap of Li3MnCr3O8?
Li3MnCr3O8 has a DFT-computed band gap of 0.57–1.72 eV across 6 reported structures.
Is Li3MnCr3O8 a metal, semiconductor, or insulator?
With a band gap up to 1.72 eV it is a semiconductor.
Is Li3MnCr3O8 thermodynamically stable?
Li3MnCr3O8 has a lowest energy above hull of 0.078 eV/atom (metastable).
How many polymorphs of Li3MnCr3O8 are known?
6 structures of Li3MnCr3O8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li3MnCr3O8 contain?
Li3MnCr3O8 contains Cr, Li, Mn, and O (4 elements).
Where does the data for Li3MnCr3O8 come from?
Li3MnCr3O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the diverse family of layered lithium transition-metal oxides, Li3MnCr3O8 occupies a niche position compared to industry-standard materials like LiCoO2 or LiMn2O4. Unlike the highly stable and widely commercialized LiCoO2, this compound features a more complex multi-metal cation distribution, placing it in a category of experimental materials aimed at optimizing performance beyond the capabilities of simpler, single-transition-metal oxides like LiMnO2.

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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