Hg2BrN

Hg2BrN is a metastable, semiconducting inorganic compound composed of mercury, bromine, and nitrogen.

BrHgN
Crystal structure of Hg2BrN
Ground-state structure · Materials Project
Overview

About Hg2BrN

Hg2BrN is a complex inorganic compound containing mercury, bromine, and nitrogen. As a semiconducting material, it exhibits electronic properties that bridge the gap between conductive metals and insulating materials, making it a subject of interest for fundamental solid-state research.

Despite its existence in multiple structural forms across various databases, the compound is characterized by a thermodynamic state that sits above the hull. This suggests that it is a metastable phase, requiring specific synthesis conditions to stabilize its configuration for potential experimental evaluation.

At a glance

Key Properties

Cross-validated computational properties for Hg2BrN, aggregated across 3 databases.

Band Gap

0.70 eV
Range across DFT structures

Energy Above Hull

0.350 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

8
3 databases, 4 space groups
Reference

Frequently Asked Questions

Common questions about Hg2BrN, answered from cross-validated data.

What is Hg2BrN?

Hg2BrN is a metastable, semiconducting inorganic compound composed of mercury, bromine, and nitrogen.

More questions
What is the band gap of Hg2BrN?
Hg2BrN has a DFT-computed band gap of 0.70 eV across 8 reported structures.
Is Hg2BrN a metal, semiconductor, or insulator?
With a band gap up to 0.70 eV it is a semiconductor.
Is Hg2BrN thermodynamically stable?
Hg2BrN has a lowest energy above hull of 0.350 eV/atom (above hull).
How many polymorphs of Hg2BrN are known?
8 structures of Hg2BrN are reported across 3 databases, spanning 4 distinct space groups.
What elements does Hg2BrN contain?
Hg2BrN contains Br, Hg, and N (3 elements).
Where does the data for Hg2BrN come from?
Hg2BrN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic phase, Hg2BrN represents a specialized entry in the landscape of mercury-nitrogen-halogen compounds. Without direct structural siblings in this class, it serves as a distinct case study for understanding the interplay between heavy metal cations and complex anionic frameworks in metastable semiconducting materials.

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

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