HgN3

HgN3 is a semiconducting mercury-nitrogen compound that exhibits significant structural diversity despite being thermodynamically unstable.

HgN
Crystal structure of HgN3
Ground-state structure · Materials Project
Overview

About HgN3

HgN3 is a semiconducting compound composed of mercury and nitrogen. It represents a complex chemical system, characterized by a significant number of reported structural configurations across scientific databases, reflecting a high degree of interest in its atomic arrangement.

Due to its position above the thermodynamic hull, this material is considered inherently unstable. Its electronic character as a semiconductor makes it a subject of fundamental study for researchers investigating the limits of mercury-nitrogen bonding and the potential for metastable phases.

At a glance

Key Properties

Cross-validated computational properties for HgN3, aggregated across 3 databases.

Band Gap

2.16 eV
Range across DFT structures

Energy Above Hull

0.565 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

86
3 databases, 19 space groups
Reference

Frequently Asked Questions

Common questions about HgN3, answered from cross-validated data.

What is HgN3?

HgN3 is a semiconducting mercury-nitrogen compound that exhibits significant structural diversity despite being thermodynamically unstable.

More questions
What is the band gap of HgN3?
HgN3 has a DFT-computed band gap of 2.16 eV across 86 reported structures.
Is HgN3 a metal, semiconductor, or insulator?
With a band gap up to 2.16 eV it is a semiconductor.
Is HgN3 thermodynamically stable?
HgN3 has a lowest energy above hull of 0.565 eV/atom (above hull).
How many polymorphs of HgN3 are known?
86 structures of HgN3 are reported across 3 databases, spanning 19 distinct space groups.
What elements does HgN3 contain?
HgN3 contains Hg and N (2 elements).
Where does the data for HgN3 come from?
HgN3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary system, HgN3 stands as a distinct subject of study within the broader landscape of metal-nitrogen compounds. Unlike more conventional, thermodynamically stable nitrides, its status as a high-energy, unstable phase places it in a specialized category of materials that require careful synthesis and structural characterization.

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

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