Au2Cs2I6
Au2Cs2I6 is a thermodynamically stable semiconducting compound containing gold, cesium, and iodine.
About Au2Cs2I6
Au2Cs2I6 is a complex halide material composed of gold, cesium, and iodine. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration within its chemical system.
This material exhibits semiconducting electronic behavior, making it a subject of interest for researchers investigating advanced optoelectronic and functional materials. Its structural integrity is supported by multiple documented crystal configurations across various databases.
Key Properties
Cross-validated computational properties for Au2Cs2I6, 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 Au2Cs2I6, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.73 | 0.0000 | -2.697 | 5.47 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| — | — | — | — | — | 5.33 |
| — | — | — | — | — | 3.73 |
| — | — | — | — | — | 4.75 |
Applications
Where Au2Cs2I6 is used.
Frequently Asked Questions
Common questions about Au2Cs2I6, answered from cross-validated data.
What is Au2Cs2I6?
Au2Cs2I6 is a thermodynamically stable semiconducting compound containing gold, cesium, and iodine.
What is Au2Cs2I6 used for?
What is the band gap of Au2Cs2I6?
Is Au2Cs2I6 a metal, semiconductor, or insulator?
Is Au2Cs2I6 thermodynamically stable?
What is the crystal structure of Au2Cs2I6?
What is the density of Au2Cs2I6?
How many polymorphs of Au2Cs2I6 are known?
What elements does Au2Cs2I6 contain?
Where does the data for Au2Cs2I6 come from?
How It Compares
As a distinct halide compound, Au2Cs2I6 occupies a unique position in materials science, serving as a foundational example of gold-based ternary halides. Unlike more common perovskite-like structures, this material demonstrates specific stability characteristics that distinguish it as a stable phase in its respective chemical space.
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).
Analyze Au2Cs2I6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →