Cs2Hg3I8
Cs2Hg3I8 is a stable, semiconducting inorganic compound containing cesium, mercury, and iodine.
About Cs2Hg3I8
Cs2Hg3I8 is a complex inorganic compound composed of cesium, mercury, and iodine. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic characteristics, making it an interesting subject for research into optoelectronic and solid-state applications. Its existence across multiple reported structures highlights its significance in the study of halide-based materials.
Key Properties
Cross-validated computational properties for Cs2Hg3I8, 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 Cs2Hg3I8, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 1.73 | 0.0000 | -2.096 | 5.01 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| — | — | — | — | — | 4.09 |
Applications
Where Cs2Hg3I8 is used.
Frequently Asked Questions
Common questions about Cs2Hg3I8, answered from cross-validated data.
What is Cs2Hg3I8?
Cs2Hg3I8 is a stable, semiconducting inorganic compound containing cesium, mercury, and iodine.
What is Cs2Hg3I8 used for?
What is the band gap of Cs2Hg3I8?
Is Cs2Hg3I8 a metal, semiconductor, or insulator?
Is Cs2Hg3I8 thermodynamically stable?
What is the crystal structure of Cs2Hg3I8?
What is the density of Cs2Hg3I8?
How many polymorphs of Cs2Hg3I8 are known?
What elements does Cs2Hg3I8 contain?
Where does the data for Cs2Hg3I8 come from?
How It Compares
As a distinct member of the cesium-mercury-iodide system, Cs2Hg3I8 serves as a stable reference point for understanding the phase space of ternary mercury halides. It occupies a unique position in the compositional landscape, offering a specific stoichiometry that distinguishes it from other binary or ternary mercury-based halides.
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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