LiMn2Cr2O8

LiMn2Cr2O8 is a semiconducting layered lithium transition-metal oxide that is currently studied for its structural properties and thermodynamic behavior.

Crystal structure of LiMn2Cr2O8
Ground-state structure · Materials Project
Overview

About LiMn2Cr2O8

LiMn2Cr2O8 is a complex transition-metal oxide belonging to the layered lithium oxide class. Characterized by its semiconducting electronic nature, this material represents an intriguing intersection of lithium, manganese, and chromium chemistry within a crystalline framework.

While the compound exhibits structural diversity across multiple databases, it is identified as being thermodynamically above the hull. This suggests that it may face stability challenges compared to more conventional battery-related oxides, making it a subject of interest for fundamental materials research.

At a glance

Key Properties

Cross-validated computational properties for LiMn2Cr2O8, aggregated across 3 databases.

Band Gap

0.64–0.70 eV
Range across DFT structures

Energy Above Hull

0.124 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

6
3 databases, 3 space groups
Uses

Applications

Where LiMn2Cr2O8 is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about LiMn2Cr2O8, answered from cross-validated data.

What is LiMn2Cr2O8?

LiMn2Cr2O8 is a semiconducting layered lithium transition-metal oxide that is currently studied for its structural properties and thermodynamic behavior.

More questions
What is LiMn2Cr2O8 used for?
LiMn2Cr2O8 is used in materials science research and solid-state chemistry studies.
What is the band gap of LiMn2Cr2O8?
LiMn2Cr2O8 has a DFT-computed band gap of 0.64–0.70 eV across 6 reported structures.
Is LiMn2Cr2O8 a metal, semiconductor, or insulator?
With a band gap up to 0.70 eV it is a semiconductor.
Is LiMn2Cr2O8 thermodynamically stable?
LiMn2Cr2O8 has a lowest energy above hull of 0.124 eV/atom (above hull).
How many polymorphs of LiMn2Cr2O8 are known?
6 structures of LiMn2Cr2O8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does LiMn2Cr2O8 contain?
LiMn2Cr2O8 contains Cr, Li, Mn, and O (4 elements).
Where does the data for LiMn2Cr2O8 come from?
LiMn2Cr2O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Unlike the highly stable and widely utilized LiCoO2 or LiNiO2, which serve as foundational cathode materials, LiMn2Cr2O8 occupies a more precarious position on the stability landscape. While it shares the layered transition-metal oxide classification with materials like LiMnO2 and LiMn2O4, its unique chemical composition places it in a different thermodynamic regime, highlighting the complexity of balancing multiple transition metals within a single lattice.

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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