LiMn2F6

LiMn2F6 is a semiconducting lithium manganese fluoride compound that is considered a promising candidate for experimental synthesis.

FLiMn
Crystal structure of LiMn2F6
Ground-state structure · Materials Project
Overview

About LiMn2F6

LiMn2F6 is a complex fluoride compound containing lithium and manganese. Characterized as a semiconducting material, it occupies a unique position in inorganic chemistry where its electronic properties are governed by the interaction between the alkali metal and transition metal ions.

Its status as a near-hull stable phase suggests that it is energetically favorable enough to be targeted for laboratory synthesis. With multiple reported structures across various databases, it represents an intriguing subject for researchers investigating novel fluoride-based materials and their potential for solid-state applications.

At a glance

Key Properties

Cross-validated computational properties for LiMn2F6, aggregated across 3 databases.

Band Gap

0.25–0.96 eV
Range across DFT structures

Energy Above Hull

0.015 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

15
3 databases, 6 space groups
Uses

Applications

Where LiMn2F6 is used.

Solid-state materials researchFundamental inorganic chemistry studies
Reference

Frequently Asked Questions

Common questions about LiMn2F6, answered from cross-validated data.

What is LiMn2F6?

LiMn2F6 is a semiconducting lithium manganese fluoride compound that is considered a promising candidate for experimental synthesis.

More questions
What is LiMn2F6 used for?
LiMn2F6 is used in solid-state materials research and fundamental inorganic chemistry studies.
What is the band gap of LiMn2F6?
LiMn2F6 has a DFT-computed band gap of 0.25–0.96 eV across 15 reported structures.
Is LiMn2F6 a metal, semiconductor, or insulator?
With a band gap up to 0.96 eV it is a semiconductor.
Is LiMn2F6 thermodynamically stable?
LiMn2F6 has a lowest energy above hull of 0.015 eV/atom (near hull (likely stable)).
How many polymorphs of LiMn2F6 are known?
15 structures of LiMn2F6 are reported across 3 databases, spanning 6 distinct space groups.
What elements does LiMn2F6 contain?
LiMn2F6 contains F, Li, and Mn (3 elements).
Where does the data for LiMn2F6 come from?
LiMn2F6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a relatively distinct inorganic phase, LiMn2F6 serves as a primary example of lithium-manganese-fluorine chemistry, providing a baseline for understanding how structural variations in this ternary system influence electronic behavior and thermodynamic stability.

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

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