BaBrCl

BaBrCl is a thermodynamically stable, wide-gap insulating halide compound composed of barium, bromine, and chlorine.

BaBrCl
Crystal structure of BaBrCl
Ground-state structure · Materials Project
Overview

About BaBrCl

BaBrCl is a ternary halide compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline structure that maintains integrity under standard conditions. Its composition of barium, bromine, and chlorine suggests a complex lattice arrangement that is of significant interest to solid-state chemists studying halide materials. The material is supported by a substantial body of structural data, reflecting its well-defined nature in various databases. This stability makes it a compelling candidate for fundamental research into halide-based insulators and their potential integration into specialized electronic or optical systems where wide-gap materials are required.

At a glance

Key Properties

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

Band Gap

4.68–4.94 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

14
4 databases, 5 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting BaBrCl.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where BaBrCl is used.

Solid-state researchOptical materials developmentHalide-based insulator studies
Reference

Frequently Asked Questions

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

What is BaBrCl?

BaBrCl is a thermodynamically stable, wide-gap insulating halide compound composed of barium, bromine, and chlorine.

More questions
What is BaBrCl used for?
BaBrCl is used in solid-state research, optical materials development, and halide-based insulator studies.
What is the band gap of BaBrCl?
BaBrCl has a DFT-computed band gap of 4.68–4.94 eV across 14 reported structures.
Is BaBrCl a metal, semiconductor, or insulator?
With a wide band gap up to 4.94 eV it is an insulator / wide-band-gap material.
Is BaBrCl thermodynamically stable?
Yes — BaBrCl sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaBrCl are known?
14 structures of BaBrCl are reported across 4 databases, spanning 5 distinct space groups.
How is BaBrCl synthesized?
Literature-reported routes for BaBrCl include solid state.
What elements does BaBrCl contain?
BaBrCl contains Ba, Br, and Cl (3 elements).
Where does the data for BaBrCl come from?
BaBrCl data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary halide, BaBrCl occupies a unique position within the broader landscape of alkaline earth halides. While many binary halides are standard laboratory reagents, this mixed-anion compound offers a more nuanced structural profile, providing a platform to investigate how the combination of different halogen species influences the crystal lattice and electronic properties of insulating materials.

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

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