Al4Hg2S8
Al4Hg2S8 is a thermodynamically stable semiconducting sulfide material used in solid-state research.
About Al4Hg2S8
Al4Hg2S8 is a complex sulfide compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural and electronic investigations within the broader field of chalcogenide materials. Its existence across multiple databases highlights its importance as a well-defined crystalline phase in materials science research. The compound serves as a subject of interest for those studying the interplay between aluminum, mercury, and sulfur in solid-state systems. Its stable configuration suggests potential utility in specialized electronic applications where reliable, long-term phase behavior is required.
Key Properties
Cross-validated computational properties for Al4Hg2S8, 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 Al4Hg2S8, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 2.02 | 0.0000 | -4.585 | 3.99 |
| Fd-3m (No. 227) | cubic | 1.30 | 0.0237 | -4.561 | 4.63 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
Applications
Where Al4Hg2S8 is used.
Frequently Asked Questions
Common questions about Al4Hg2S8, answered from cross-validated data.
What is Al4Hg2S8?
Al4Hg2S8 is a thermodynamically stable semiconducting sulfide material used in solid-state research.
What is Al4Hg2S8 used for?
What is the band gap of Al4Hg2S8?
Is Al4Hg2S8 a metal, semiconductor, or insulator?
Is Al4Hg2S8 thermodynamically stable?
What is the crystal structure of Al4Hg2S8?
What is the density of Al4Hg2S8?
How many polymorphs of Al4Hg2S8 are known?
What elements does Al4Hg2S8 contain?
Where does the data for Al4Hg2S8 come from?
How It Compares
As a distinct sulfide phase, Al4Hg2S8 represents a unique structural arrangement within the landscape of ternary and quaternary chalcogenides. It occupies a niche position as a stable semiconducting material, serving as a reference point for understanding how mercury-based sulfides maintain thermodynamic equilibrium compared to more common binary or ternary counterparts.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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