Ag4Hg4I4S4
Ag4Hg4I4S4 is a thermodynamically stable semiconducting compound composed of silver, mercury, iodine, and sulfur.
About Ag4Hg4I4S4
Ag4Hg4I4S4 is a complex inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of silver, mercury, iodine, and sulfur atoms.
This material is notable for its structural diversity, supported by multiple reported entries across various crystallographic databases. Its stability and electronic profile make it a subject of interest for fundamental materials research and potential specialized technological applications.
Key Properties
Cross-validated computational properties for Ag4Hg4I4S4, 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 Ag4Hg4I4S4, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 1.36 | 0.0000 | -2.630 | 6.52 |
| Pmma (No. 51) | orthorhombic | 1.14 | 0.0011 | -2.629 | 6.58 |
| P212121 (No. 19) | — | — | — | — | — |
| P212121 (No. 19) | — | — | — | — | — |
| Pmma (No. 51) | — | — | — | — | — |
| — | — | — | — | — | 6.33 |
Applications
Where Ag4Hg4I4S4 is used.
Frequently Asked Questions
Common questions about Ag4Hg4I4S4, answered from cross-validated data.
What is Ag4Hg4I4S4?
Ag4Hg4I4S4 is a thermodynamically stable semiconducting compound composed of silver, mercury, iodine, and sulfur.
What is Ag4Hg4I4S4 used for?
What is the band gap of Ag4Hg4I4S4?
Is Ag4Hg4I4S4 a metal, semiconductor, or insulator?
Is Ag4Hg4I4S4 thermodynamically stable?
What is the crystal structure of Ag4Hg4I4S4?
What is the density of Ag4Hg4I4S4?
How many polymorphs of Ag4Hg4I4S4 are known?
What elements does Ag4Hg4I4S4 contain?
Where does the data for Ag4Hg4I4S4 come from?
How It Compares
As a unique inorganic phase, Ag4Hg4I4S4 occupies a distinct position in materials science, serving as a benchmark for stability within its specific chemical system. Without direct structural siblings, it stands as a primary reference point for understanding the interplay between its constituent heavy metals and chalcogen-halide framework.
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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