BaV3O8

BaV3O8 is a semiconducting barium vanadium oxide that is considered a viable candidate for experimental synthesis.

BaOV
Crystal structure of BaV3O8
Ground-state structure · Materials Project
Overview

About BaV3O8

BaV3O8 is a complex oxide composed of barium, vanadium, and oxygen. It exhibits semiconducting electronic properties, making it an interesting subject for materials scientists exploring transition metal oxides with potential for charge transport applications. The compound is characterized by a structural complexity that has been documented across multiple databases, reflecting its significance in solid-state chemistry.

As a near-hull material, BaV3O8 is considered likely to be synthesizable under appropriate laboratory conditions. Its thermodynamic stability suggests it occupies a favorable energy landscape, which is essential for researchers aiming to isolate and characterize new inorganic phases for future technological integration.

At a glance

Key Properties

Cross-validated computational properties for BaV3O8, aggregated across 3 databases.

Band Gap

1.91 eV
Range across DFT structures

Energy Above Hull

0.016 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting BaV3O8.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where BaV3O8 is used.

Solid-state researchElectronic materials developmentBattery electrode material studies
Reference

Frequently Asked Questions

Common questions about BaV3O8, answered from cross-validated data.

What is BaV3O8?

BaV3O8 is a semiconducting barium vanadium oxide that is considered a viable candidate for experimental synthesis.

More questions
What is BaV3O8 used for?
BaV3O8 is used in solid-state research, electronic materials development, and battery electrode material studies.
What is the band gap of BaV3O8?
BaV3O8 has a DFT-computed band gap of 1.91 eV across 5 reported structures.
Is BaV3O8 a metal, semiconductor, or insulator?
With a band gap up to 1.91 eV it is a semiconductor.
Is BaV3O8 thermodynamically stable?
BaV3O8 has a lowest energy above hull of 0.016 eV/atom (near hull (likely stable)).
How many polymorphs of BaV3O8 are known?
5 structures of BaV3O8 are reported across 3 databases, spanning 1 distinct space group.
How is BaV3O8 synthesized?
Literature-reported routes for BaV3O8 include solid state.
What elements does BaV3O8 contain?
BaV3O8 contains Ba, O, and V (3 elements).
Where does the data for BaV3O8 come from?
BaV3O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique barium-vanadium oxide system, BaV3O8 serves as a distinct member of the broader family of vanadium-based compounds. While many vanadium oxides are known for their varied oxidation states and structural versatility, this specific stoichiometry offers a specialized framework that distinguishes it from simpler binary or ternary oxides within the class.

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

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