Li2MnF4

Li2MnF4 is a wide-gap insulating fluoride compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.

FLiMn
Crystal structure of Li2MnF4
Ground-state structure · Materials Project
Overview

About Li2MnF4

Li2MnF4 is an insulating fluoride compound characterized by a wide electronic band gap. Its status as a near-hull material suggests it is a promising candidate for experimental synthesis and further exploration in materials science research. The compound exhibits significant structural complexity, as evidenced by the large number of reported configurations across major databases. This structural variety highlights its potential for nuanced behavior in solid-state applications. It represents a specific stoichiometry within the lithium-manganese-fluorine system, offering a unique platform for studying ionic interactions in insulating fluoride frameworks.

At a glance

Key Properties

Cross-validated computational properties for Li2MnF4, aggregated across 3 databases.

Band Gap

2.05–4.85 eV
Range across DFT structures

Energy Above Hull

0.022 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

88
3 databases, 24 space groups
Uses

Applications

Where Li2MnF4 is used.

Solid-state electrolyte researchFluoride-ion battery materials developmentFundamental condensed matter physics research
Reference

Frequently Asked Questions

Common questions about Li2MnF4, answered from cross-validated data.

What is Li2MnF4?

Li2MnF4 is a wide-gap insulating fluoride compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.

More questions
What is Li2MnF4 used for?
Li2MnF4 is used in solid-state electrolyte research, fluoride-ion battery materials development, and fundamental condensed matter physics research.
What is the band gap of Li2MnF4?
Li2MnF4 has a DFT-computed band gap of 2.05–4.85 eV across 88 reported structures.
Is Li2MnF4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.85 eV it is an insulator / wide-band-gap material.
Is Li2MnF4 thermodynamically stable?
Li2MnF4 has a lowest energy above hull of 0.022 eV/atom (near hull (likely stable)).
How many polymorphs of Li2MnF4 are known?
88 structures of Li2MnF4 are reported across 3 databases, spanning 24 distinct space groups.
What elements does Li2MnF4 contain?
Li2MnF4 contains F, Li, and Mn (3 elements).
Where does the data for Li2MnF4 come from?
Li2MnF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the fluoride-based material class, Li2MnF4 serves as a specialized example of how lithium and manganese can coordinate within a fluorine-rich lattice. While it does not have direct siblings in this specific dataset, its near-hull stability positions it as a significant point of interest for researchers investigating the design of new insulating fluoride materials.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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