H8Hg6O22S4

H8Hg6O22S4 is a semiconducting mercury-based compound that is theoretically stable enough to be synthesized for material science research.

HHgOS
Crystal structure of H8Hg6O22S4 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

About H8Hg6O22S4

H8Hg6O22S4 is a complex mercury-based compound that exhibits semiconducting electronic properties. Its structural configuration and chemical composition position it as a material of interest for specialized electronic and sensing applications where mercury-based frameworks are required.

As a near-hull material, it is considered thermodynamically stable enough to be a viable candidate for laboratory synthesis. With multiple reported structures across databases, it represents a distinct chemical entity within the broader landscape of mercury-sulfur-oxygen chemistry.

At a glance

Key Properties

Cross-validated computational properties for H8Hg6O22S4, aggregated across 3 databases.

Band Gap

1.74 eV
Range across DFT structures

Energy Above Hull

0.003 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for H8Hg6O22S4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/c (No. 15)monoclinic1.740.0029-5.2015.80
C2/c (No. 15)
5.70
Uses

Applications

Where H8Hg6O22S4 is used.

Semiconductor researchMaterials science explorationChemical synthesis studies
Reference

Frequently Asked Questions

Common questions about H8Hg6O22S4, answered from cross-validated data.

What is H8Hg6O22S4?

H8Hg6O22S4 is a semiconducting mercury-based compound that is theoretically stable enough to be synthesized for material science research.

More questions
What is H8Hg6O22S4 used for?
H8Hg6O22S4 is used in semiconductor research, materials science exploration, and chemical synthesis studies.
What is the band gap of H8Hg6O22S4?
H8Hg6O22S4 has a DFT-computed band gap of 1.74 eV across 3 reported structures.
Is H8Hg6O22S4 a metal, semiconductor, or insulator?
With a band gap up to 1.74 eV it is a semiconductor.
Is H8Hg6O22S4 thermodynamically stable?
H8Hg6O22S4 has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
What is the crystal structure of H8Hg6O22S4?
The lowest-energy reported polymorph of H8Hg6O22S4 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of H8Hg6O22S4?
The computed density of the ground-state structure of H8Hg6O22S4 is 5.80 g/cm³.
How many polymorphs of H8Hg6O22S4 are known?
3 structures of H8Hg6O22S4 are reported across 3 databases, spanning 1 distinct space group.
What elements does H8Hg6O22S4 contain?
H8Hg6O22S4 contains H, Hg, O, and S (4 elements).
Where does the data for H8Hg6O22S4 come from?
H8Hg6O22S4 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique compound within its chemical class, H8Hg6O22S4 serves as a specialized example of how mercury can be integrated into complex hydrogen-oxygen-sulfur frameworks to achieve semiconducting behavior.

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).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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