CaV4O6

CaV4O6 is a metastable semiconducting ternary oxide of calcium and vanadium used in fundamental materials science research.

CaOV
Crystal structure of CaV4O6
Ground-state structure · Materials Project
Overview

About CaV4O6

CaV4O6 is a complex ternary oxide composed of calcium, vanadium, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating transition metal oxides with unique coordination environments.

Being a metastable phase, this compound requires precise synthesis conditions to stabilize its structure. Its existence across multiple reported structural configurations highlights the intricate phase landscape of the calcium-vanadium-oxygen system.

At a glance

Key Properties

Cross-validated computational properties for CaV4O6, aggregated across 3 databases.

Band Gap

0.28–0.34 eV
Range across DFT structures

Energy Above Hull

0.026 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

7
3 databases, 3 space groups
Uses

Applications

Where CaV4O6 is used.

Materials science researchSolid-state chemistry studiesSemiconductor development
Reference

Frequently Asked Questions

Common questions about CaV4O6, answered from cross-validated data.

What is CaV4O6?

CaV4O6 is a metastable semiconducting ternary oxide of calcium and vanadium used in fundamental materials science research.

More questions
What is CaV4O6 used for?
CaV4O6 is used in materials science research, solid-state chemistry studies, and semiconductor development.
What is the band gap of CaV4O6?
CaV4O6 has a DFT-computed band gap of 0.28–0.34 eV across 7 reported structures.
Is CaV4O6 a metal, semiconductor, or insulator?
With a band gap up to 0.34 eV it is a semiconductor.
Is CaV4O6 thermodynamically stable?
CaV4O6 has a lowest energy above hull of 0.026 eV/atom (metastable).
How many polymorphs of CaV4O6 are known?
7 structures of CaV4O6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does CaV4O6 contain?
CaV4O6 contains Ca, O, and V (3 elements).
Where does the data for CaV4O6 come from?
CaV4O6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the diverse family of calcium vanadates, CaV4O6 occupies a distinct niche where its metastability and semiconducting nature distinguish it from more common, highly stable vanadium-based oxides. It serves as a specialized example of how stoichiometry and oxidation states can be tuned to achieve specific electronic behaviors in complex oxide systems.

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

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