Ag2As2Hg2S6

Ag2As2Hg2S6 is a stable, semiconducting quaternary sulfide compound composed of silver, arsenic, mercury, and sulfur.

AgAsHgS
Crystal structure of Ag2As2Hg2S6 (monoclinic, Cc (No. 9))
Ground-state structure · Materials Project
Overview

About Ag2As2Hg2S6

Ag2As2Hg2S6 is a complex quaternary sulfide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement of silver, arsenic, mercury, and sulfur atoms.

This material is of interest to researchers investigating the fundamental properties of multinary chalcogenides. Its stability suggests potential utility in advanced solid-state applications where reliable electronic performance is required.

At a glance

Key Properties

Cross-validated computational properties for Ag2As2Hg2S6, aggregated across 3 databases.

Band Gap

1.25 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

3
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ag2As2Hg2S6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cc (No. 9)monoclinic1.250.0000-3.7375.84
Cc (No. 9)
No. 0unknown1.52
Uses

Applications

Where Ag2As2Hg2S6 is used.

Semiconductor researchSolid-state electronic materials
Reference

Frequently Asked Questions

Common questions about Ag2As2Hg2S6, answered from cross-validated data.

What is Ag2As2Hg2S6?

Ag2As2Hg2S6 is a stable, semiconducting quaternary sulfide compound composed of silver, arsenic, mercury, and sulfur.

More questions
What is Ag2As2Hg2S6 used for?
Ag2As2Hg2S6 is used in semiconductor research and solid-state electronic materials.
What is the band gap of Ag2As2Hg2S6?
Ag2As2Hg2S6 has a DFT-computed band gap of 1.25 eV across 3 reported structures.
Is Ag2As2Hg2S6 a metal, semiconductor, or insulator?
With a band gap up to 1.25 eV it is a semiconductor.
Is Ag2As2Hg2S6 thermodynamically stable?
Yes — Ag2As2Hg2S6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ag2As2Hg2S6?
The lowest-energy reported polymorph of Ag2As2Hg2S6 is monoclinic symmetry, space group Cc (No. 9).
What is the density of Ag2As2Hg2S6?
The computed density of the ground-state structure of Ag2As2Hg2S6 is 5.84 g/cm³.
How many polymorphs of Ag2As2Hg2S6 are known?
3 structures of Ag2As2Hg2S6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ag2As2Hg2S6 contain?
Ag2As2Hg2S6 contains Ag, As, Hg, and S (4 elements).
Where does the data for Ag2As2Hg2S6 come from?
Ag2As2Hg2S6 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

As a unique quaternary sulfide, Ag2As2Hg2S6 occupies a distinct position in the landscape of complex chalcogenide materials. While it lacks direct structural siblings in this specific grouping, its presence on the convex hull highlights its significance as a stable candidate for further exploration in semiconductor research.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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