HfBrN

HfBrN is a thermodynamically stable, semiconducting inorganic compound consisting of hafnium, bromine, and nitrogen.

BrHfN
Crystal structure of HfBrN
Ground-state structure · Materials Project
Overview

About HfBrN

HfBrN is a stable inorganic compound composed of hafnium, bromine, and nitrogen. As a thermodynamically stable material located on the convex hull, it represents a robust structural arrangement that is well-represented in materials databases with numerous documented configurations. Its semiconducting nature makes it a subject of interest for researchers investigating electronic materials with tunable properties. The combination of these specific elements allows for a distinct crystalline framework that supports stable phase formation. This compound is primarily utilized in fundamental materials science research to explore the interplay between heavy transition metals and halide-nitride lattices, providing a platform for understanding electronic behavior in complex inorganic systems.

At a glance

Key Properties

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

Band Gap

1.92–2.13 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
3 databases, 8 space groups
Uses

Applications

Where HfBrN is used.

Materials science researchSemiconductor development studiesSolid-state chemistry exploration
Reference

Frequently Asked Questions

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

What is HfBrN?

HfBrN is a thermodynamically stable, semiconducting inorganic compound consisting of hafnium, bromine, and nitrogen.

More questions
What is HfBrN used for?
HfBrN is used in materials science research, semiconductor development studies, and solid-state chemistry exploration.
What is the band gap of HfBrN?
HfBrN has a DFT-computed band gap of 1.92–2.13 eV across 16 reported structures.
Is HfBrN a metal, semiconductor, or insulator?
With a band gap up to 2.13 eV it is a semiconductor.
Is HfBrN thermodynamically stable?
Yes — HfBrN sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of HfBrN are known?
16 structures of HfBrN are reported across 3 databases, spanning 8 distinct space groups.
What elements does HfBrN contain?
HfBrN contains Br, Hf, and N (3 elements).
Where does the data for HfBrN come from?
HfBrN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound, HfBrN serves as a foundational example of hafnium-based halide-nitrides. While it does not have direct siblings in this specific dataset, it stands out for its high thermodynamic stability and structural diversity, positioning it as a reliable candidate for further experimental characterization compared to less stable or more elusive synthetic phases.

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

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