Na3BrCl2

Na3BrCl2 is a wide-band-gap insulating halide compound that is considered a stable candidate for experimental synthesis.

BrClNa
Crystal structure of Na3BrCl2
Ground-state structure · Materials Project
Overview

About Na3BrCl2

Na3BrCl2 is a complex halide material characterized by its wide-band-gap insulating electronic profile. Its structural arrangement, which has been documented across multiple databases, suggests a stable configuration that is likely synthesizable under appropriate experimental conditions.

As a material with near-hull thermodynamic stability, it serves as a point of interest for researchers investigating ionic conductors or solid-state electrolytes. Its unique stoichiometry involving sodium, bromine, and chlorine provides a distinct chemical environment for potential optoelectronic or electrochemical applications.

At a glance

Key Properties

Cross-validated computational properties for Na3BrCl2, aggregated across 3 databases.

Band Gap

4.15–4.54 eV
Range across DFT structures

Energy Above Hull

0.004 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where Na3BrCl2 is used.

Solid-state electrolyte researchIonic conduction studiesHalide-based material development
Reference

Frequently Asked Questions

Common questions about Na3BrCl2, answered from cross-validated data.

What is Na3BrCl2?

Na3BrCl2 is a wide-band-gap insulating halide compound that is considered a stable candidate for experimental synthesis.

More questions
What is Na3BrCl2 used for?
Na3BrCl2 is used in solid-state electrolyte research, ionic conduction studies, and halide-based material development.
What is the band gap of Na3BrCl2?
Na3BrCl2 has a DFT-computed band gap of 4.15–4.54 eV across 10 reported structures.
Is Na3BrCl2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.54 eV it is an insulator / wide-band-gap material.
Is Na3BrCl2 thermodynamically stable?
Na3BrCl2 has a lowest energy above hull of 0.004 eV/atom (near hull (likely stable)).
How many polymorphs of Na3BrCl2 are known?
10 structures of Na3BrCl2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Na3BrCl2 contain?
Na3BrCl2 contains Br, Cl, and Na (3 elements).
Where does the data for Na3BrCl2 come from?
Na3BrCl2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique halide-based compound, Na3BrCl2 occupies a specialized niche within the broader landscape of sodium-halide materials. Its near-hull stability indicates that it is a viable target for synthesis compared to more metastable phases, positioning it as a significant subject for structural characterization and performance testing in solid-state chemistry.

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

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