CaVO3

CaVO3 is a semiconducting calcium vanadium oxide that is considered a viable target for experimental synthesis.

CaOV
Crystal structure of CaVO3
Ground-state structure · Materials Project
Overview

About CaVO3

CaVO3 is a complex oxide composed of calcium, vanadium, and oxygen. As a semiconducting material, it represents an interesting candidate for electronic and structural investigations in solid-state chemistry.

Its status as a near-hull compound suggests that it is likely synthesizable under appropriate laboratory conditions. With multiple reported structures across various databases, it serves as a subject of interest for researchers studying vanadium-based oxides and their potential physical properties.

At a glance

Key Properties

Cross-validated computational properties for CaVO3, aggregated across 3 databases.

Band Gap

0.26–0.43 eV
Range across DFT structures

Energy Above Hull

0.001 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

12
3 databases, 3 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CaVO3.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where CaVO3 is used.

Solid-state researchMaterials science explorationElectronic property studies
Reference

Frequently Asked Questions

Common questions about CaVO3, answered from cross-validated data.

What is CaVO3?

CaVO3 is a semiconducting calcium vanadium oxide that is considered a viable target for experimental synthesis.

More questions
What is CaVO3 used for?
CaVO3 is used in solid-state research, materials science exploration, and electronic property studies.
What is the band gap of CaVO3?
CaVO3 has a DFT-computed band gap of 0.26–0.43 eV across 12 reported structures.
Is CaVO3 a metal, semiconductor, or insulator?
With a band gap up to 0.43 eV it is a semiconductor.
Is CaVO3 thermodynamically stable?
CaVO3 has a lowest energy above hull of 0.001 eV/atom (near hull (likely stable)).
How many polymorphs of CaVO3 are known?
12 structures of CaVO3 are reported across 3 databases, spanning 3 distinct space groups.
How is CaVO3 synthesized?
Literature-reported routes for CaVO3 include sol gel, solid state (2 procedures documented).
What elements does CaVO3 contain?
CaVO3 contains Ca, O, and V (3 elements).
Where does the data for CaVO3 come from?
CaVO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in this specific structural assessment, CaVO3 serves as a foundational example of vanadium-based oxide chemistry, providing a baseline for understanding how calcium-vanadium-oxygen systems behave in the solid state.

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

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