Hg2K12S8
Hg2K12S8 is a thermodynamically stable, semiconducting ternary sulfide that provides a well-characterized framework for materials science research.
About Hg2K12S8
Hg2K12S8 is a complex ternary sulfide composed of mercury, potassium, and sulfur. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, offering a reliable structural framework for investigation. Its electronic character is defined as semiconducting, making it a subject of interest for researchers exploring the intersection of heavy metal chalcogenides and alkali metal chemistry. The presence of multiple reported structures across various databases underscores its significance as a well-documented material in solid-state chemistry.
Key Properties
Cross-validated computational properties for Hg2K12S8, 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 Hg2K12S8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.72 | 0.0000 | -3.287 | 2.79 |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| — | — | — | — | — | 2.50 |
Applications
Where Hg2K12S8 is used.
Frequently Asked Questions
Common questions about Hg2K12S8, answered from cross-validated data.
What is Hg2K12S8?
Hg2K12S8 is a thermodynamically stable, semiconducting ternary sulfide that provides a well-characterized framework for materials science research.
What is Hg2K12S8 used for?
What is the band gap of Hg2K12S8?
Is Hg2K12S8 a metal, semiconductor, or insulator?
Is Hg2K12S8 thermodynamically stable?
What is the crystal structure of Hg2K12S8?
What is the density of Hg2K12S8?
How many polymorphs of Hg2K12S8 are known?
What elements does Hg2K12S8 contain?
Where does the data for Hg2K12S8 come from?
How It Compares
As a unique ternary sulfide, Hg2K12S8 serves as a distinct representative of its chemical class. Unlike more common binary sulfides, this compound leverages the interplay between the heavy mercury cations and the highly reactive potassium network to achieve thermodynamic stability, positioning it as a specialized material for fundamental studies in chalcogenide synthesis and electronic 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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