HgN2

HgN2 is a semiconducting mercury-nitrogen compound that is thermodynamically unstable and primarily of interest for theoretical structural research.

HgN
Crystal structure of HgN2
Ground-state structure · Materials Project
Overview

About HgN2

HgN2 is a binary compound composed of mercury and nitrogen that exhibits semiconducting electronic behavior. Its structural complexity is highlighted by a significant number of reported configurations within material databases, reflecting ongoing interest in its atomic arrangement despite its challenging synthesis profile. The compound is characterized by its thermodynamic instability, as it resides above the hull in energy landscapes. This positioning suggests that while it can be modeled and studied theoretically, it remains a difficult target for experimental realization under ambient conditions.

At a glance

Key Properties

Cross-validated computational properties for HgN2, aggregated across 2 databases.

Band Gap

0.92 eV
Range across DFT structures

Energy Above Hull

2.721 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

127
2 databases, 26 space groups
Reference

Frequently Asked Questions

Common questions about HgN2, answered from cross-validated data.

What is HgN2?

HgN2 is a semiconducting mercury-nitrogen compound that is thermodynamically unstable and primarily of interest for theoretical structural research.

More questions
What is the band gap of HgN2?
HgN2 has a DFT-computed band gap of 0.92 eV across 127 reported structures.
Is HgN2 a metal, semiconductor, or insulator?
With a band gap up to 0.92 eV it is a semiconductor.
Is HgN2 thermodynamically stable?
HgN2 has a lowest energy above hull of 2.721 eV/atom (above hull).
How many polymorphs of HgN2 are known?
127 structures of HgN2 are reported across 2 databases, spanning 26 distinct space groups.
What elements does HgN2 contain?
HgN2 contains Hg and N (2 elements).
Where does the data for HgN2 come from?
HgN2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary system, HgN2 represents a distinct case study in mercury-nitrogen chemistry. Unlike more stable, naturally occurring binary nitrides, this compound serves as a critical reference point for understanding the limits of structural stability and the electronic consequences of nitrogen-rich bonding in heavy metal systems.

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

Analyze HgN2 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →