CBrN

CBrN is an insulating, metastable inorganic compound composed of bromine, carbon, and nitrogen that exhibits significant structural variety.

BrCN
Crystal structure of CBrN
Ground-state structure · Materials Project
Overview

About CBrN

CBrN is a complex inorganic compound composed of bromine, carbon, and nitrogen. It is characterized as a wide-band-gap insulator, placing it among materials that typically resist electrical conduction under standard conditions.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable, suggesting that it may require specific synthesis conditions to be realized. Despite this, it remains a subject of interest in structural research, with multiple distinct arrangements documented across various databases.

At a glance

Key Properties

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

Band Gap

5.04–5.10 eV
Range across DFT structures

Energy Above Hull

0.283 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

8
3 databases, 6 space groups
Reference

Frequently Asked Questions

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

What is CBrN?

CBrN is an insulating, metastable inorganic compound composed of bromine, carbon, and nitrogen that exhibits significant structural variety.

More questions
What is the band gap of CBrN?
CBrN has a DFT-computed band gap of 5.04–5.10 eV across 8 reported structures.
Is CBrN a metal, semiconductor, or insulator?
With a wide band gap up to 5.10 eV it is an insulator / wide-band-gap material.
Is CBrN thermodynamically stable?
CBrN has a lowest energy above hull of 0.283 eV/atom (above hull).
How many polymorphs of CBrN are known?
8 structures of CBrN are reported across 3 databases, spanning 6 distinct space groups.
What elements does CBrN contain?
CBrN contains Br, C, and N (3 elements).
Where does the data for CBrN come from?
CBrN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic material, CBrN represents an intriguing case study in structural diversity. While it lacks direct siblings in this specific classification, its existence as a documented, albeit thermodynamically challenging, phase highlights the breadth of potential chemical configurations within the carbon-nitrogen-halogen system.

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

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