Au6Cl16Rb6
Au6Cl16Rb6 is a thermodynamically stable, semiconducting inorganic compound consisting of gold, chlorine, and rubidium.
About Au6Cl16Rb6
Au6Cl16Rb6 is a complex halide material composed of gold, chlorine, and rubidium. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
This compound exhibits semiconducting electronic behavior, positioning it as an interesting candidate for specialized electronic or optoelectronic applications. Its existence across multiple crystallographic databases highlights its significance as a well-defined inorganic material within its chemical system.
Key Properties
Cross-validated computational properties for Au6Cl16Rb6, 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 Au6Cl16Rb6, 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 | 0.81 | 0.0000 | -3.361 | 4.62 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 3.27 |
Applications
Where Au6Cl16Rb6 is used.
Frequently Asked Questions
Common questions about Au6Cl16Rb6, answered from cross-validated data.
What is Au6Cl16Rb6?
Au6Cl16Rb6 is a thermodynamically stable, semiconducting inorganic compound consisting of gold, chlorine, and rubidium.
What is Au6Cl16Rb6 used for?
What is the band gap of Au6Cl16Rb6?
Is Au6Cl16Rb6 a metal, semiconductor, or insulator?
Is Au6Cl16Rb6 thermodynamically stable?
What is the crystal structure of Au6Cl16Rb6?
What is the density of Au6Cl16Rb6?
How many polymorphs of Au6Cl16Rb6 are known?
What elements does Au6Cl16Rb6 contain?
Where does the data for Au6Cl16Rb6 come from?
How It Compares
As a unique halide complex, Au6Cl16Rb6 serves as a distinct example of how gold and rubidium can integrate into a stable lattice structure. While it represents a specific stoichiometry within its chemical family, its stability and semiconducting nature distinguish it from simpler binary halides, offering a more complex structural framework for potential material design.
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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