Hg6K4S16Sn4
Hg6K4S16Sn4 is a stable, semiconducting quaternary sulfide compound composed of mercury, potassium, sulfur, and tin.
About Hg6K4S16Sn4
Hg6K4S16Sn4 is a complex quaternary sulfide compound that exhibits semiconducting electronic behavior. Its position on the thermodynamic convex hull indicates high stability, making it a robust candidate for materials science investigations into chalcogenide frameworks. The structural arrangement of mercury, potassium, sulfur, and tin atoms creates a unique lattice architecture that is of significant interest for fundamental solid-state research. As a stable phase, it provides a reliable platform for studying the interplay between heavy metal cations and sulfur-based anionic networks in semiconductors. This compound serves as a valuable model for understanding how multi-element coordination influences electronic properties in complex sulfide systems.
Key Properties
Cross-validated computational properties for Hg6K4S16Sn4, 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 Hg6K4S16Sn4, 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. |
|---|---|---|---|---|---|
| Aea2 (No. 41) | orthorhombic | 1.75 | 0.0000 | -3.739 | 4.35 |
| Aea2 (No. 41) | — | — | — | — | — |
| — | — | — | — | — | 4.39 |
Applications
Where Hg6K4S16Sn4 is used.
Frequently Asked Questions
Common questions about Hg6K4S16Sn4, answered from cross-validated data.
What is Hg6K4S16Sn4?
Hg6K4S16Sn4 is a stable, semiconducting quaternary sulfide compound composed of mercury, potassium, sulfur, and tin.
What is Hg6K4S16Sn4 used for?
What is the band gap of Hg6K4S16Sn4?
Is Hg6K4S16Sn4 a metal, semiconductor, or insulator?
Is Hg6K4S16Sn4 thermodynamically stable?
What is the crystal structure of Hg6K4S16Sn4?
What is the density of Hg6K4S16Sn4?
How many polymorphs of Hg6K4S16Sn4 are known?
What elements does Hg6K4S16Sn4 contain?
Where does the data for Hg6K4S16Sn4 come from?
How It Compares
As a thermodynamically stable quaternary sulfide, this compound represents a specialized niche in materials chemistry. It serves as a distinct example of how combining mercury and tin within a potassium-sulfur framework can yield a stable semiconducting material, functioning as a benchmark for exploring the structural diversity of complex chalcogenides.
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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