HgS

Cinnabar · Metacinnabar

HgS is a stable, semiconducting mercury sulfide compound that occurs naturally as the mineral cinnabar and is widely studied for its distinct electronic and structural properties.

HgS
Crystal structure of HgS
Ground-state structure · Materials Project
Overview

About Cinnabar

HgS is a thermodynamically stable compound that exists in multiple structural forms, most notably as the vibrant red mineral cinnabar. Its semiconducting nature makes it a subject of significant interest in materials science, particularly regarding its electronic properties and phase transitions.

Due to its high structural diversity, this compound is extensively documented across numerous databases. It remains a foundational material for understanding mercury-based chalcogenides and their potential applications in specialized optoelectronic devices.

At a glance

Key Properties

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

Band Gap

1.71 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

98
4 databases, 25 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of HgS. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: medium

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

2
jarvis, materials_project

Space Group Consensus

All match
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting HgS.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Cinnabar is used.

PigmentsMercury oreSemiconductor researchHistorical art materials
Reference

Frequently Asked Questions

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

What is HgS?

HgS is a stable, semiconducting mercury sulfide compound that occurs naturally as the mineral cinnabar and is widely studied for its distinct electronic and structural properties.

More questions
What is HgS used for?
Cinnabar (HgS) is used in pigments, mercury ore, semiconductor research, and historical art materials.
What is the band gap of HgS?
Cinnabar (HgS) has a DFT-computed band gap of 1.71 eV across 98 reported structures.
Is HgS a metal, semiconductor, or insulator?
With a band gap up to 1.71 eV it is a semiconductor.
Is HgS thermodynamically stable?
Yes — Cinnabar (HgS) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of HgS are known?
98 structures of HgS are reported across 4 databases, spanning 25 distinct space groups.
How is HgS synthesized?
Literature-reported routes for HgS include solid state.
What elements does HgS contain?
Cinnabar (HgS) contains Hg and S (2 elements).
Where does the data for HgS come from?
HgS data is cross-referenced from latticegraph.
Comparison

How It Compares

As a prominent binary chalcogenide, HgS serves as a benchmark for stability and structural polymorphism within its chemical family, providing critical insights into the behavior of heavy metal semiconductors.

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

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