HgNCl

HgNCl is a semiconducting mercury-nitrogen-chlorine compound that exists as a metastable phase in solid-state materials science.

ClHgN
Crystal structure of HgNCl
Ground-state structure · Materials Project
Overview

About HgNCl

HgNCl is a complex inorganic compound composed of mercury, nitrogen, and chlorine. It exhibits semiconducting electronic behavior, positioning it as an interesting subject for fundamental studies in solid-state chemistry and electronic material properties.

Despite its existence in multiple reported structures across research databases, this compound is categorized as being above the thermodynamic hull. This suggests that it may be metastable under ambient conditions, requiring specific synthesis pathways to stabilize its crystalline framework.

At a glance

Key Properties

Cross-validated computational properties for HgNCl, aggregated across 4 databases.

Band Gap

0.09–1.22 eV
Range across DFT structures

Energy Above Hull

0.137 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

16
4 databases, 7 space groups
Reference

Frequently Asked Questions

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

What is HgNCl?

HgNCl is a semiconducting mercury-nitrogen-chlorine compound that exists as a metastable phase in solid-state materials science.

More questions
What is the band gap of HgNCl?
HgNCl has a DFT-computed band gap of 0.09–1.22 eV across 16 reported structures.
Is HgNCl a metal, semiconductor, or insulator?
With a band gap up to 1.22 eV it is a semiconductor.
Is HgNCl thermodynamically stable?
HgNCl has a lowest energy above hull of 0.137 eV/atom (above hull).
How many polymorphs of HgNCl are known?
16 structures of HgNCl are reported across 4 databases, spanning 7 distinct space groups.
What elements does HgNCl contain?
HgNCl contains Cl, Hg, and N (3 elements).
Where does the data for HgNCl come from?
HgNCl data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic phase, HgNCl occupies a specialized niche in materials research. Without direct structural siblings in its immediate class, it serves as a distinct example of how mercury-nitrogen-halogen systems can form semiconducting architectures that challenge standard thermodynamic stability expectations.

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

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