Cl4Hg12I4S8
Cl4Hg12I4S8 is a complex semiconducting quaternary compound containing mercury, sulfur, chlorine, and iodine that is potentially synthesizable.
About Cl4Hg12I4S8
Cl4Hg12I4S8 is a complex quaternary inorganic compound composed of mercury, chlorine, iodine, and sulfur. It exhibits semiconducting electronic properties, positioning it as a material of interest for specialized electronic or optoelectronic applications.
As a near-hull phase, this compound is considered thermodynamically stable enough to be a viable target for experimental synthesis. Its structural complexity is highlighted by multiple reported configurations across materials databases, suggesting a rich landscape for further investigation into its physical properties.
Key Properties
Cross-validated computational properties for Cl4Hg12I4S8, 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 Cl4Hg12I4S8, 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/m (No. 12) | monoclinic | 1.40 | 0.0139 | -2.368 | 6.25 |
| — | — | — | — | — | 5.08 |
| — | — | — | — | — | 5.66 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Cl4Hg12I4S8 is used.
Frequently Asked Questions
Common questions about Cl4Hg12I4S8, answered from cross-validated data.
What is Cl4Hg12I4S8?
Cl4Hg12I4S8 is a complex semiconducting quaternary compound containing mercury, sulfur, chlorine, and iodine that is potentially synthesizable.
What is Cl4Hg12I4S8 used for?
What is the band gap of Cl4Hg12I4S8?
Is Cl4Hg12I4S8 a metal, semiconductor, or insulator?
Is Cl4Hg12I4S8 thermodynamically stable?
What is the crystal structure of Cl4Hg12I4S8?
What is the density of Cl4Hg12I4S8?
How many polymorphs of Cl4Hg12I4S8 are known?
What elements does Cl4Hg12I4S8 contain?
Where does the data for Cl4Hg12I4S8 come from?
How It Compares
As a unique quaternary mercury-based system, Cl4Hg12I4S8 occupies a specialized niche in materials science. Unlike simpler binary or ternary chalcogenides, this compound integrates multiple halides and sulfur into a single framework, offering a distinct structural complexity that differentiates it from more conventional semiconductor materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Cl4Hg12I4S8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →