Ba2V2O5

Ba2V2O5 is a metastable semiconducting oxide containing barium and vanadium that is primarily studied for its complex structural behavior.

BaOV
Crystal structure of Ba2V2O5
Ground-state structure · Materials Project
Overview

About Ba2V2O5

Ba2V2O5 is a complex oxide composed of barium, vanadium, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental solid-state chemistry and materials exploration.

Because it exists in a metastable state, this compound presents unique challenges and opportunities for synthetic control. Its structural diversity, evidenced by numerous reported configurations, suggests a flexible lattice capable of accommodating various coordination environments.

At a glance

Key Properties

Cross-validated computational properties for Ba2V2O5, aggregated across 3 databases.

Band Gap

0.02–0.30 eV
Range across DFT structures

Energy Above Hull

0.082 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

13
3 databases, 5 space groups
Uses

Applications

Where Ba2V2O5 is used.

Solid-state chemistry researchMaterials science explorationSemiconductor development
Reference

Frequently Asked Questions

Common questions about Ba2V2O5, answered from cross-validated data.

What is Ba2V2O5?

Ba2V2O5 is a metastable semiconducting oxide containing barium and vanadium that is primarily studied for its complex structural behavior.

More questions
What is Ba2V2O5 used for?
Ba2V2O5 is used in solid-state chemistry research, materials science exploration, and semiconductor development.
What is the band gap of Ba2V2O5?
Ba2V2O5 has a DFT-computed band gap of 0.02–0.30 eV across 13 reported structures.
Is Ba2V2O5 a metal, semiconductor, or insulator?
With a band gap up to 0.30 eV it is a semiconductor.
Is Ba2V2O5 thermodynamically stable?
Ba2V2O5 has a lowest energy above hull of 0.082 eV/atom (metastable).
How many polymorphs of Ba2V2O5 are known?
13 structures of Ba2V2O5 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Ba2V2O5 contain?
Ba2V2O5 contains Ba, O, and V (3 elements).
Where does the data for Ba2V2O5 come from?
Ba2V2O5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the broader family of barium-vanadium oxides, Ba2V2O5 occupies a distinct niche defined by its specific stoichiometry and metastable nature. While many related oxides are synthesized under equilibrium conditions, this compound highlights the importance of kinetic control in accessing complex semiconducting phases within the transition metal oxide landscape.

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

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