Li3MnF6

Li3MnF6 is a semiconducting lithium manganese fluoride compound that is considered a promising candidate for synthesis due to its thermodynamic stability.

FLiMn
Crystal structure of Li3MnF6
Ground-state structure · Materials Project
Overview

About Li3MnF6

Li3MnF6 is a complex fluoride compound composed of lithium, manganese, and fluorine. Its semiconducting electronic character and proximity to the thermodynamic hull suggest that it is a viable candidate for synthesis and further experimental investigation.

As a material of interest in solid-state chemistry, this compound benefits from a relatively rich body of structural data. Its stability profile indicates that it could serve as a functional component in specialized chemical systems where precise electronic properties are required.

At a glance

Key Properties

Cross-validated computational properties for Li3MnF6, aggregated across 3 databases.

Band Gap

1.37–1.91 eV
Range across DFT structures

Energy Above Hull

0.002 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

25
3 databases, 7 space groups
Uses

Applications

Where Li3MnF6 is used.

Solid-state chemistry researchElectrochemical material developmentFluoride-based ionic conductors
Reference

Frequently Asked Questions

Common questions about Li3MnF6, answered from cross-validated data.

What is Li3MnF6?

Li3MnF6 is a semiconducting lithium manganese fluoride compound that is considered a promising candidate for synthesis due to its thermodynamic stability.

More questions
What is Li3MnF6 used for?
Li3MnF6 is used in solid-state chemistry research, electrochemical material development, and fluoride-based ionic conductors.
What is the band gap of Li3MnF6?
Li3MnF6 has a DFT-computed band gap of 1.37–1.91 eV across 25 reported structures.
Is Li3MnF6 a metal, semiconductor, or insulator?
With a band gap up to 1.91 eV it is a semiconductor.
Is Li3MnF6 thermodynamically stable?
Li3MnF6 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
How many polymorphs of Li3MnF6 are known?
25 structures of Li3MnF6 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Li3MnF6 contain?
Li3MnF6 contains F, Li, and Mn (3 elements).
Where does the data for Li3MnF6 come from?
Li3MnF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique fluoride-based material, Li3MnF6 occupies a distinct space in inorganic chemistry. While it does not share a direct structural class with common battery materials, its composition highlights the versatility of manganese-fluorine frameworks in developing stable, semiconducting architectures for future research.

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

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