Au2Cl8Cs2
Au2Cl8Cs2 is a stable, semiconducting inorganic compound containing gold, chlorine, and cesium.
About Au2Cl8Cs2
Au2Cl8Cs2 is a distinct inorganic compound composed of gold, chlorine, and cesium. As a thermodynamically stable material located on the convex hull, it represents a robust configuration within its chemical system.
Exhibiting semiconducting electronic characteristics, this compound is of interest for fundamental studies in solid-state chemistry. Its structural integrity makes it a noteworthy candidate for researchers investigating complex halide frameworks.
Key Properties
Cross-validated computational properties for Au2Cl8Cs2, 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 Au2Cl8Cs2, 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/c (No. 15) | monoclinic | 1.89 | 0.0000 | -17.794 | 4.01 |
| — | — | — | — | — | 3.68 |
| C2/c (No. 15) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Au2Cl8Cs2, answered from cross-validated data.
What is Au2Cl8Cs2?
Au2Cl8Cs2 is a stable, semiconducting inorganic compound containing gold, chlorine, and cesium.
What is the band gap of Au2Cl8Cs2?
Is Au2Cl8Cs2 a metal, semiconductor, or insulator?
Is Au2Cl8Cs2 thermodynamically stable?
What is the crystal structure of Au2Cl8Cs2?
What is the density of Au2Cl8Cs2?
How many polymorphs of Au2Cl8Cs2 are known?
What elements does Au2Cl8Cs2 contain?
Where does the data for Au2Cl8Cs2 come from?
How It Compares
As a unique entry in its chemical class, Au2Cl8Cs2 serves as a key reference point for understanding the interplay between gold and cesium halide architectures. Without direct siblings in this specific grouping, it stands as a primary example of how these elements combine into stable, semiconducting crystalline arrangements.
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).
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