Li3VF6

Li3VF6 is a stable, semiconducting inorganic fluoride compound characterized by its structural versatility.

FLiV
Crystal structure of Li3VF6
Ground-state structure · Materials Project
Overview

About Li3VF6

Li3VF6 is a complex fluoride material characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within the lithium-vanadium-fluorine system.

Its structural diversity is evidenced by numerous reported configurations across major materials databases. This stability and electronic profile make it a subject of interest for researchers investigating ion-conducting materials and solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for Li3VF6, aggregated across 3 databases.

Band Gap

2.44–2.55 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

24
3 databases, 9 space groups
Uses

Applications

Where Li3VF6 is used.

Solid-state ionics researchMaterials science explorationElectrochemical studies
Reference

Frequently Asked Questions

Common questions about Li3VF6, answered from cross-validated data.

What is Li3VF6?

Li3VF6 is a stable, semiconducting inorganic fluoride compound characterized by its structural versatility.

More questions
What is Li3VF6 used for?
Li3VF6 is used in solid-state ionics research, materials science exploration, and electrochemical studies.
What is the band gap of Li3VF6?
Li3VF6 has a DFT-computed band gap of 2.44–2.55 eV across 24 reported structures.
Is Li3VF6 a metal, semiconductor, or insulator?
With a band gap up to 2.55 eV it is a semiconductor.
Is Li3VF6 thermodynamically stable?
Yes — Li3VF6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3VF6 are known?
24 structures of Li3VF6 are reported across 3 databases, spanning 9 distinct space groups.
What elements does Li3VF6 contain?
Li3VF6 contains F, Li, and V (3 elements).
Where does the data for Li3VF6 come from?
Li3VF6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique fluoride compound, Li3VF6 serves as a foundational reference point for ternary lithium-vanadium-fluoride systems, representing a stable benchmark for exploring the electronic and structural landscape of this chemical class.

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

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