LiMnOF2

LiMnOF2 is a metastable, semiconducting layered lithium transition-metal oxide used in fundamental materials research for energy storage applications.

Crystal structure of LiMnOF2
Ground-state structure · Materials Project
Overview

About LiMnOF2

LiMnOF2 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a metastable compound, it represents a complex structural arrangement that is of significant interest for researchers investigating ion mobility and electrochemical performance in battery materials.

The material is part of a broad family of oxides that are heavily studied for their potential in next-generation energy storage. Its unique composition, incorporating fluorine alongside lithium, manganese, and oxygen, distinguishes it as a subject for exploring how anion substitution influences the stability and electronic behavior of layered frameworks.

At a glance

Key Properties

Cross-validated computational properties for LiMnOF2, aggregated across 3 databases.

Band Gap

0.08–2.06 eV
Range across DFT structures

Energy Above Hull

0.028 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

21
3 databases, 8 space groups
Uses

Applications

Where LiMnOF2 is used.

Battery materials researchEnergy storage device developmentSolid-state ionics
Reference

Frequently Asked Questions

Common questions about LiMnOF2, answered from cross-validated data.

What is LiMnOF2?

LiMnOF2 is a metastable, semiconducting layered lithium transition-metal oxide used in fundamental materials research for energy storage applications.

More questions
What is LiMnOF2 used for?
LiMnOF2 is used in battery materials research, energy storage device development, and solid-state ionics.
What is the band gap of LiMnOF2?
LiMnOF2 has a DFT-computed band gap of 0.08–2.06 eV across 21 reported structures.
Is LiMnOF2 a metal, semiconductor, or insulator?
With a band gap up to 2.06 eV it is a semiconductor.
Is LiMnOF2 thermodynamically stable?
LiMnOF2 has a lowest energy above hull of 0.028 eV/atom (metastable).
How many polymorphs of LiMnOF2 are known?
21 structures of LiMnOF2 are reported across 3 databases, spanning 8 distinct space groups.
What elements does LiMnOF2 contain?
LiMnOF2 contains F, Li, Mn, and O (4 elements).
Where does the data for LiMnOF2 come from?
LiMnOF2 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, LiMnOF2 stands out as a metastable variant compared to more conventional, highly stable cathode materials like LiCoO2 or LiNiO2. While siblings such as LiMn2O4 and LiMnO2 are well-established in battery technology, LiMnOF2 offers a distinct structural profile that challenges traditional design paradigms for lithium-ion intercalation hosts.

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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