BaBiBrO2

BaBiBrO2 is a thermodynamically stable, wide-band-gap insulating compound known for its structural diversity.

BaBiBrO
Crystal structure of BaBiBrO2
Ground-state structure · Materials Project
Overview

About BaBiBrO2

BaBiBrO2 is a complex inorganic compound characterized by its insulating electronic nature and wide-band-gap profile. As a material that sits on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural investigations within solid-state chemistry.

The compound is notable for its structural diversity, with multiple reported configurations across various databases. This structural flexibility, combined with its stable electronic character, positions it as an intriguing subject for researchers exploring novel insulating materials and their potential for specialized technological integration.

At a glance

Key Properties

Cross-validated computational properties for BaBiBrO2, aggregated across 3 databases.

Band Gap

1.65–3.07 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where BaBiBrO2 is used.

Solid-state researchFundamental materials scienceInsulating material development
Reference

Frequently Asked Questions

Common questions about BaBiBrO2, answered from cross-validated data.

What is BaBiBrO2?

BaBiBrO2 is a thermodynamically stable, wide-band-gap insulating compound known for its structural diversity.

More questions
What is BaBiBrO2 used for?
BaBiBrO2 is used in solid-state research, fundamental materials science, and insulating material development.
What is the band gap of BaBiBrO2?
BaBiBrO2 has a DFT-computed band gap of 1.65–3.07 eV across 10 reported structures.
Is BaBiBrO2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.07 eV it is an insulator / wide-band-gap material.
Is BaBiBrO2 thermodynamically stable?
Yes — BaBiBrO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaBiBrO2 are known?
10 structures of BaBiBrO2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does BaBiBrO2 contain?
BaBiBrO2 contains Ba, Bi, Br, and O (4 elements).
Where does the data for BaBiBrO2 come from?
BaBiBrO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of its structural family, BaBiBrO2 serves as a foundational example of stable, wide-gap insulating materials. Its position on the convex hull distinguishes it as a highly reliable system for further experimental and computational study compared to less stable, metastable phases in similar chemical spaces.

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

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