BiBO3

BiBO3 is a stable, wide-band-gap insulating compound consisting of bismuth, boron, and oxygen atoms.

BBiO
Crystal structure of BiBO3
Ground-state structure · Materials Project
Overview

About BiBO3

BiBO3 is a thermodynamically stable inorganic compound composed of bismuth, boron, and oxygen. As a wide-band-gap insulator, it exhibits electronic characteristics typical of materials that resist electrical conduction, making it a subject of interest for specialized dielectric or optical applications. Its position on the convex hull confirms its inherent stability under standard conditions. With multiple reported structures across various databases, this compound represents a versatile building block in solid-state chemistry. Its unique elemental combination allows for structural diversity, providing researchers with a stable platform to investigate the interplay between heavy metal cations and light borate frameworks.

At a glance

Key Properties

Cross-validated computational properties for BiBO3, aggregated across 3 databases.

Band Gap

3.01 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where BiBO3 is used.

Optical materials researchDielectric component developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about BiBO3, answered from cross-validated data.

What is BiBO3?

BiBO3 is a stable, wide-band-gap insulating compound consisting of bismuth, boron, and oxygen atoms.

More questions
What is BiBO3 used for?
BiBO3 is used in optical materials research, dielectric component development, and solid-state chemistry studies.
What is the band gap of BiBO3?
BiBO3 has a DFT-computed band gap of 3.01 eV across 6 reported structures.
Is BiBO3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.01 eV it is an insulator / wide-band-gap material.
Is BiBO3 thermodynamically stable?
Yes — BiBO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BiBO3 are known?
6 structures of BiBO3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does BiBO3 contain?
BiBO3 contains B, Bi, and O (3 elements).
Where does the data for BiBO3 come from?
BiBO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct member of the bismuth borate family, BiBO3 occupies a stable structural niche that distinguishes it from more complex or metastable phases. It serves as a fundamental reference point for understanding how bismuth-oxygen polyhedra integrate with borate units to maintain thermodynamic integrity.

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

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