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

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.
Key Properties
Cross-validated computational properties for H8Hg6O22S4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for H8Hg6O22S4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.74 | 0.0029 | -5.201 | 5.80 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 5.70 |
Applications
Where H8Hg6O22S4 is used.
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.
What is H8Hg6O22S4 used for?
What is the band gap of H8Hg6O22S4?
Is H8Hg6O22S4 a metal, semiconductor, or insulator?
Is H8Hg6O22S4 thermodynamically stable?
What is the crystal structure of H8Hg6O22S4?
What is the density of H8Hg6O22S4?
How many polymorphs of H8Hg6O22S4 are known?
What elements does H8Hg6O22S4 contain?
Where does the data for H8Hg6O22S4 come from?
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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