Li4Mn5Fe3O16

Li4Mn5Fe3O16 is a complex, semiconducting, and metastable layered lithium transition-metal oxide used in advanced materials research for battery technology.

Crystal structure of Li4Mn5Fe3O16
Ground-state structure · Materials Project
Overview

About Li4Mn5Fe3O16

Li4Mn5Fe3O16 is a complex, metastable layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a multi-component oxide, it represents a sophisticated arrangement of lithium, manganese, iron, and oxygen atoms designed to explore structural flexibility in battery materials. Its metastable state suggests a unique energy landscape that is of significant interest for fundamental materials research and potential electrochemical applications. By integrating iron into a manganese-rich lithium oxide framework, this compound serves as a platform for investigating how transition-metal substitution influences charge transport and structural integrity. It is primarily studied within the context of high-capacity cathode development, where the interplay between its constituent metals is leveraged to optimize performance in energy storage systems.

At a glance

Key Properties

Cross-validated computational properties for Li4Mn5Fe3O16, aggregated across 3 databases.

Band Gap

0.17 eV
Range across DFT structures

Energy Above Hull

0.054 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li4Mn5Fe3O16 is used.

Lithium-ion battery cathode researchEnergy storage material development
Reference

Frequently Asked Questions

Common questions about Li4Mn5Fe3O16, answered from cross-validated data.

What is Li4Mn5Fe3O16?

Li4Mn5Fe3O16 is a complex, semiconducting, and metastable layered lithium transition-metal oxide used in advanced materials research for battery technology.

More questions
What is Li4Mn5Fe3O16 used for?
Li4Mn5Fe3O16 is used in lithium-ion battery cathode research and energy storage material development.
What is the band gap of Li4Mn5Fe3O16?
Li4Mn5Fe3O16 has a DFT-computed band gap of 0.17 eV across 5 reported structures.
Is Li4Mn5Fe3O16 a metal, semiconductor, or insulator?
With a band gap up to 0.17 eV it is a semiconductor.
Is Li4Mn5Fe3O16 thermodynamically stable?
Li4Mn5Fe3O16 has a lowest energy above hull of 0.054 eV/atom (metastable).
How many polymorphs of Li4Mn5Fe3O16 are known?
5 structures of Li4Mn5Fe3O16 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li4Mn5Fe3O16 contain?
Li4Mn5Fe3O16 contains Fe, Li, Mn, and O (4 elements).
Where does the data for Li4Mn5Fe3O16 come from?
Li4Mn5Fe3O16 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, Li4Mn5Fe3O16 occupies a specialized niche compared to more conventional, highly stable materials like LiCoO2 or LiNiO2. While LiMn2O4 and Li2MnO3 are well-established benchmarks for manganese-based cathodes, this iron-doped variant offers a distinct structural complexity that differentiates it from simpler oxides like LiAlO2. Its metastability highlights a different design philosophy than the more thermodynamically robust members of the class, positioning it as an experimental candidate for exploring novel redox chemistries.

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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