Ba4Ca4O28V8

Ba4Ca4O28V8 is a stable, insulating quaternary oxide containing barium, calcium, vanadium, and oxygen.

BaCaOV
Crystal structure of Ba4Ca4O28V8
Ground-state structure · Materials Project
Overview

About Ba4Ca4O28V8

Ba4Ca4O28V8 is a complex oxide composed of barium, calcium, oxygen, and vanadium. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement that is of significant interest for fundamental materials science studies.

Characterized as a wide-gap insulator, this compound exhibits electronic properties typical of stable dielectric oxides. Its structural integrity and distinct elemental composition make it a valuable subject for investigating the interplay between alkaline earth metals and vanadium-oxygen frameworks.

At a glance

Key Properties

Cross-validated computational properties for Ba4Ca4O28V8, aggregated across 3 databases.

Band Gap

3.27 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Ba4Ca4O28V8, answered from cross-validated data.

What is Ba4Ca4O28V8?

Ba4Ca4O28V8 is a stable, insulating quaternary oxide containing barium, calcium, vanadium, and oxygen.

More questions
What is the band gap of Ba4Ca4O28V8?
Ba4Ca4O28V8 has a DFT-computed band gap of 3.27 eV across 3 reported structures.
Is Ba4Ca4O28V8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.27 eV it is an insulator / wide-band-gap material.
Is Ba4Ca4O28V8 thermodynamically stable?
Yes — Ba4Ca4O28V8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ba4Ca4O28V8 are known?
3 structures of Ba4Ca4O28V8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ba4Ca4O28V8 contain?
Ba4Ca4O28V8 contains Ba, Ca, O, and V (4 elements).
Where does the data for Ba4Ca4O28V8 come from?
Ba4Ca4O28V8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique oxide phase, Ba4Ca4O28V8 serves as a distinct example of complex quaternary systems within the broader landscape of insulating vanadium-based materials, offering a stable structural template for exploring oxide chemistry.

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

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