BaHBr

BaHBr is a thermodynamically stable, insulating ternary compound containing barium, hydrogen, and bromine.

BaBrH
Crystal structure of BaHBr
Ground-state structure · Materials Project
Overview

About BaHBr

BaHBr is a distinct ternary compound composed of barium, hydrogen, and bromine. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement within its chemical system.

Characterized by its wide-band-gap insulating nature, this compound is of significant interest for fundamental research into halide-hydride materials. Its electronic properties make it a subject of study for potential applications requiring stable, non-conductive inorganic frameworks.

At a glance

Key Properties

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

Band Gap

3.21 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

6
3 databases, 4 space groups
Uses

Applications

Where BaHBr is used.

Fundamental materials science researchSolid-state chemistry studiesExploratory electronic materials development
Reference

Frequently Asked Questions

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

What is BaHBr?

BaHBr is a thermodynamically stable, insulating ternary compound containing barium, hydrogen, and bromine.

More questions
What is BaHBr used for?
BaHBr is used in fundamental materials science research, solid-state chemistry studies, and exploratory electronic materials development.
What is the band gap of BaHBr?
BaHBr has a DFT-computed band gap of 3.21 eV across 6 reported structures.
Is BaHBr a metal, semiconductor, or insulator?
With a wide band gap up to 3.21 eV it is an insulator / wide-band-gap material.
Is BaHBr thermodynamically stable?
Yes — BaHBr sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaHBr are known?
6 structures of BaHBr are reported across 3 databases, spanning 4 distinct space groups.
What elements does BaHBr contain?
BaHBr contains Ba, Br, and H (3 elements).
Where does the data for BaHBr come from?
BaHBr data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, BaHBr serves as a foundational example of how alkaline earth metals can integrate both hydride and halide anions into a single, stable crystal lattice, providing a baseline for future exploration of similar mixed-anion systems.

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

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