Li3Mn5Cr2O12

Li3Mn5Cr2O12 is a metastable, semimetallic lithium transition-metal oxide primarily studied for its complex structural properties in advanced materials research.

Crystal structure of Li3Mn5Cr2O12
Ground-state structure · Materials Project
Overview

About Li3Mn5Cr2O12

Li3Mn5Cr2O12 is a complex layered lithium transition-metal oxide containing manganese and chromium. Its electronic structure exhibits near-zero-gap characteristics, placing it in the semimetallic regime, which is a notable departure from the insulating or semiconducting behavior typically seen in many battery-related oxides. Due to its position above the thermodynamic hull, this compound is considered metastable. While it has been documented across multiple structural databases, its synthetic accessibility and long-term stability remain subjects of ongoing investigation within the field of energy storage materials.

At a glance

Key Properties

Cross-validated computational properties for Li3Mn5Cr2O12, aggregated across 3 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

0.180 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li3Mn5Cr2O12 is used.

Energy storage materials researchSolid-state battery development
Reference

Frequently Asked Questions

Common questions about Li3Mn5Cr2O12, answered from cross-validated data.

What is Li3Mn5Cr2O12?

Li3Mn5Cr2O12 is a metastable, semimetallic lithium transition-metal oxide primarily studied for its complex structural properties in advanced materials research.

More questions
What is Li3Mn5Cr2O12 used for?
Li3Mn5Cr2O12 is used in energy storage materials research and solid-state battery development.
What is the band gap of Li3Mn5Cr2O12?
Li3Mn5Cr2O12 has a DFT-computed band gap of 0.05 eV across 5 reported structures.
Is Li3Mn5Cr2O12 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Li3Mn5Cr2O12 thermodynamically stable?
Li3Mn5Cr2O12 has a lowest energy above hull of 0.180 eV/atom (above hull).
How many polymorphs of Li3Mn5Cr2O12 are known?
5 structures of Li3Mn5Cr2O12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li3Mn5Cr2O12 contain?
Li3Mn5Cr2O12 contains Cr, Li, Mn, and O (4 elements).
Where does the data for Li3Mn5Cr2O12 come from?
Li3Mn5Cr2O12 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, Li3Mn5Cr2O12 occupies a distinct niche compared to more conventional, stable cathode materials like LiCoO2 or LiNiO2. Unlike the highly stable and widely utilized commercial standards, this compound's metastable nature and semimetallic electronic character suggest it functions more as a specialized research candidate for exploring complex ion-transport pathways rather than a direct replacement for established battery chemistries.

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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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