LiVF4

LiVF4 is a stable, wide-band-gap insulating material composed of lithium, vanadium, and fluorine.

FLiV
Crystal structure of LiVF4
Ground-state structure · Materials Project
Overview

About LiVF4

LiVF4 is a distinct inorganic compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of lithium, vanadium, and fluorine atoms.

Its stability and electronic properties make it a subject of significant interest for researchers investigating advanced dielectric or solid-state materials. The compound is well-documented, with a substantial number of reported structures across major materials databases.

At a glance

Key Properties

Cross-validated computational properties for LiVF4, aggregated across 3 databases.

Band Gap

1.09–3.05 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

135
3 databases, 19 space groups
Reference

Frequently Asked Questions

Common questions about LiVF4, answered from cross-validated data.

What is LiVF4?

LiVF4 is a stable, wide-band-gap insulating material composed of lithium, vanadium, and fluorine.

More questions
What is the band gap of LiVF4?
LiVF4 has a DFT-computed band gap of 1.09–3.05 eV across 135 reported structures.
Is LiVF4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.05 eV it is an insulator / wide-band-gap material.
Is LiVF4 thermodynamically stable?
Yes — LiVF4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiVF4 are known?
135 structures of LiVF4 are reported across 3 databases, spanning 19 distinct space groups.
What elements does LiVF4 contain?
LiVF4 contains F, Li, and V (3 elements).
Where does the data for LiVF4 come from?
LiVF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of its chemical family, LiVF4 stands out due to its high thermodynamic stability and insulating character, serving as a foundational reference point for studying lithium-based fluorides.

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

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