H3BrO

H3BrO is a thermodynamically stable, wide-band-gap insulating compound characterized by a well-defined structural profile.

BrHO
Crystal structure of H3BrO
Ground-state structure · Materials Project
Overview

About H3BrO

H3BrO is a thermodynamically stable compound that exhibits wide-band-gap insulating behavior. Its presence on the convex hull suggests a robust structural configuration, making it a subject of interest for researchers investigating stable hydrogen-bromine-oxygen systems.

Given its status as a well-documented material with multiple reported structures across various databases, H3BrO serves as a fundamental reference point for understanding the bonding characteristics and stability limits within this specific chemical composition.

At a glance

Key Properties

Cross-validated computational properties for H3BrO, aggregated across 4 databases.

Band Gap

4.42 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

9
4 databases, 3 space groups
Uses

Applications

Where H3BrO is used.

Fundamental materials researchSolid-state chemistry studiesStructural modeling benchmarks
Reference

Frequently Asked Questions

Common questions about H3BrO, answered from cross-validated data.

What is H3BrO?

H3BrO is a thermodynamically stable, wide-band-gap insulating compound characterized by a well-defined structural profile.

More questions
What is H3BrO used for?
H3BrO is used in fundamental materials research, solid-state chemistry studies, and structural modeling benchmarks.
What is the band gap of H3BrO?
H3BrO has a DFT-computed band gap of 4.42 eV across 9 reported structures.
Is H3BrO a metal, semiconductor, or insulator?
With a wide band gap up to 4.42 eV it is an insulator / wide-band-gap material.
Is H3BrO thermodynamically stable?
Yes — H3BrO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of H3BrO are known?
9 structures of H3BrO are reported across 4 databases, spanning 3 distinct space groups.
What elements does H3BrO contain?
H3BrO contains Br, H, and O (3 elements).
Where does the data for H3BrO come from?
H3BrO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable insulator, H3BrO represents a distinct structural arrangement within its chemical space, providing a benchmark for stability and electronic properties in systems containing hydrogen, bromine, and oxygen.

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

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