Au4Cl16K4
Au4Cl16K4 is a thermodynamically stable, semiconducting inorganic compound containing gold, chlorine, and potassium.
About Au4Cl16K4
Au4Cl16K4 is a complex inorganic compound composed of gold, chlorine, and potassium. 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 material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating the interplay between heavy metal centers and halide coordination. Its existence across multiple crystallographic databases highlights its significance as a well-defined chemical entity in inorganic chemistry.
Key Properties
Cross-validated computational properties for Au4Cl16K4, 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 Au4Cl16K4, 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. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 1.43 | 0.0000 | -3.285 | 3.37 |
| P21/c (No. 14) | monoclinic | 1.42 | 0.0002 | -3.285 | 3.67 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 3.30 |
Applications
Where Au4Cl16K4 is used.
Frequently Asked Questions
Common questions about Au4Cl16K4, answered from cross-validated data.
What is Au4Cl16K4?
Au4Cl16K4 is a thermodynamically stable, semiconducting inorganic compound containing gold, chlorine, and potassium.
What is Au4Cl16K4 used for?
What is the band gap of Au4Cl16K4?
Is Au4Cl16K4 a metal, semiconductor, or insulator?
Is Au4Cl16K4 thermodynamically stable?
What is the crystal structure of Au4Cl16K4?
What is the density of Au4Cl16K4?
How many polymorphs of Au4Cl16K4 are known?
What elements does Au4Cl16K4 contain?
Where does the data for Au4Cl16K4 come from?
How It Compares
As a distinct gold-based halide, Au4Cl16K4 serves as a foundational example of complex metal-chloride coordination chemistry. It occupies a unique position within the broader landscape of gold-potassium-chlorine systems, offering a stable framework for studying semiconducting behavior in halide-rich environments.
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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