Li2MnF6

Li2MnF6 is a thermodynamically stable, wide-gap insulating fluoride compound characterized by its robust structural properties.

FLiMn
Crystal structure of Li2MnF6
Ground-state structure · Materials Project
Overview

About Li2MnF6

Li2MnF6 is a thermodynamically stable fluoride compound that exhibits a wide-gap insulating electronic character. Its position on the convex hull suggests a robust structural integrity that makes it a subject of interest for researchers investigating stable inorganic fluorides.

Given the significant number of reported structures across various databases, this compound serves as a valuable reference point for understanding the crystalline arrangements of lithium-manganese fluorides. Its insulating nature and stability are key factors for its role in advanced material studies.

At a glance

Key Properties

Cross-validated computational properties for Li2MnF6, aggregated across 3 databases.

Band Gap

2.32–3.21 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

44
3 databases, 13 space groups
Uses

Applications

Where Li2MnF6 is used.

Materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Li2MnF6, answered from cross-validated data.

What is Li2MnF6?

Li2MnF6 is a thermodynamically stable, wide-gap insulating fluoride compound characterized by its robust structural properties.

More questions
What is Li2MnF6 used for?
Li2MnF6 is used in materials research and solid-state chemistry studies.
What is the band gap of Li2MnF6?
Li2MnF6 has a DFT-computed band gap of 2.32–3.21 eV across 44 reported structures.
Is Li2MnF6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.21 eV it is an insulator / wide-band-gap material.
Is Li2MnF6 thermodynamically stable?
Yes — Li2MnF6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li2MnF6 are known?
44 structures of Li2MnF6 are reported across 3 databases, spanning 13 distinct space groups.
What elements does Li2MnF6 contain?
Li2MnF6 contains F, Li, and Mn (3 elements).
Where does the data for Li2MnF6 come from?
Li2MnF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable member of the inorganic fluoride family, Li2MnF6 represents a well-defined structural archetype. It serves as a foundational example for studying the interplay between lithium and manganese within a stable fluorine-based lattice, providing a benchmark for other complex fluoride materials.

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

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