Li2VF6

Li2VF6 is a thermodynamically stable, semiconducting lithium vanadium fluoride used in advanced materials research.

FLiV
Crystal structure of Li2VF6
Ground-state structure · Materials Project
Overview

About Li2VF6

Li2VF6 is a thermodynamically stable inorganic compound composed of lithium, vanadium, and fluorine. As a stable member of the fluoride family, it occupies a favorable position on the convex hull, indicating significant structural integrity under standard conditions.

This material exhibits semiconducting electronic characteristics, making it an interesting candidate for study in solid-state chemistry. Its unique composition and stability profile suggest potential utility in specialized electrochemical applications where vanadium-based fluorides are required.

At a glance

Key Properties

Cross-validated computational properties for Li2VF6, aggregated across 3 databases.

Band Gap

1.73–2.39 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

51
3 databases, 15 space groups
Uses

Applications

Where Li2VF6 is used.

Electrochemical energy storage researchSolid-state ionicsMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Li2VF6, answered from cross-validated data.

What is Li2VF6?

Li2VF6 is a thermodynamically stable, semiconducting lithium vanadium fluoride used in advanced materials research.

More questions
What is Li2VF6 used for?
Li2VF6 is used in electrochemical energy storage research, solid-state ionics, and materials science exploration.
What is the band gap of Li2VF6?
Li2VF6 has a DFT-computed band gap of 1.73–2.39 eV across 51 reported structures.
Is Li2VF6 a metal, semiconductor, or insulator?
With a band gap up to 2.39 eV it is a semiconductor.
Is Li2VF6 thermodynamically stable?
Yes — Li2VF6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li2VF6 are known?
51 structures of Li2VF6 are reported across 3 databases, spanning 15 distinct space groups.
What elements does Li2VF6 contain?
Li2VF6 contains F, Li, and V (3 elements).
Where does the data for Li2VF6 come from?
Li2VF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct member of the lithium-vanadium-fluoride system, Li2VF6 stands out for its thermodynamic stability and well-documented structural landscape. While many complex fluorides face challenges regarding phase persistence, this compound maintains a robust structural framework that distinguishes it within the broader category of semiconducting fluoride materials.

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

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