LiVF3

LiVF3 is a semiconducting lithium vanadium fluoride that is considered a likely candidate for laboratory synthesis.

FLiV
Crystal structure of LiVF3
Ground-state structure · Materials Project
Overview

About LiVF3

LiVF3 is a semiconducting ternary fluoride compound composed of lithium, vanadium, and fluorine. Its position near the thermodynamic stability hull suggests that it is a viable target for experimental synthesis and potential material development.

Given the significant number of reported structures across various databases, this compound represents a well-characterized area of interest in inorganic solid-state chemistry. Its semiconducting nature makes it a subject of study for researchers exploring new functional materials.

At a glance

Key Properties

Cross-validated computational properties for LiVF3, aggregated across 3 databases.

Band Gap

1.35–2.81 eV
Range across DFT structures

Energy Above Hull

0.019 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

40
3 databases, 12 space groups
Uses

Applications

Where LiVF3 is used.

Solid-state chemistry researchMaterials science exploration
Reference

Frequently Asked Questions

Common questions about LiVF3, answered from cross-validated data.

What is LiVF3?

LiVF3 is a semiconducting lithium vanadium fluoride that is considered a likely candidate for laboratory synthesis.

More questions
What is LiVF3 used for?
LiVF3 is used in solid-state chemistry research and materials science exploration.
What is the band gap of LiVF3?
LiVF3 has a DFT-computed band gap of 1.35–2.81 eV across 40 reported structures.
Is LiVF3 a metal, semiconductor, or insulator?
With a band gap up to 2.81 eV it is a semiconductor.
Is LiVF3 thermodynamically stable?
LiVF3 has a lowest energy above hull of 0.019 eV/atom (near hull (likely stable)).
How many polymorphs of LiVF3 are known?
40 structures of LiVF3 are reported across 3 databases, spanning 12 distinct space groups.
What elements does LiVF3 contain?
LiVF3 contains F, Li, and V (3 elements).
Where does the data for LiVF3 come from?
LiVF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary fluoride, LiVF3 occupies a distinct niche in materials research where its structural diversity and electronic properties are evaluated for potential integration into advanced chemical systems.

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

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