KVOF3

KVOF3 is a semiconducting potassium vanadium oxyfluoride compound that is theoretically predicted to be stable enough for laboratory synthesis.

FKOV
Crystal structure of KVOF3
Ground-state structure · Materials Project
Overview

About KVOF3

KVOF3 is a complex inorganic compound composed of potassium, vanadium, oxygen, and fluorine. As a semiconducting material, it occupies a unique position in solid-state chemistry, bridging the properties of oxides and fluorides to offer distinct electronic characteristics.

Due to its near-hull thermodynamic stability, this compound is considered a promising target for experimental synthesis. Its structural diversity, evidenced by multiple reported configurations across databases, highlights its potential for further investigation in specialized chemical applications.

At a glance

Key Properties

Cross-validated computational properties for KVOF3, aggregated across 3 databases.

Band Gap

0.02–2.79 eV
Range across DFT structures

Energy Above Hull

0.003 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where KVOF3 is used.

Materials science researchSolid-state chemistry studiesSemiconductor development
Reference

Frequently Asked Questions

Common questions about KVOF3, answered from cross-validated data.

What is KVOF3?

KVOF3 is a semiconducting potassium vanadium oxyfluoride compound that is theoretically predicted to be stable enough for laboratory synthesis.

More questions
What is KVOF3 used for?
KVOF3 is used in materials science research, solid-state chemistry studies, and semiconductor development.
What is the band gap of KVOF3?
KVOF3 has a DFT-computed band gap of 0.02–2.79 eV across 6 reported structures.
Is KVOF3 a metal, semiconductor, or insulator?
With a band gap up to 2.79 eV it is a semiconductor.
Is KVOF3 thermodynamically stable?
KVOF3 has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
How many polymorphs of KVOF3 are known?
6 structures of KVOF3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does KVOF3 contain?
KVOF3 contains F, K, O, and V (4 elements).
Where does the data for KVOF3 come from?
KVOF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the oxyfluoride family, KVOF3 represents a specialized class of materials where the interplay between oxygen and fluorine anions dictates the electronic and structural landscape. Without direct siblings in this specific dataset, it stands as a representative example of how mixed-anion systems can be tuned to achieve semiconducting behavior.

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

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