Au2F8K2
Au2F8K2 is a thermodynamically stable semiconducting compound containing gold, fluorine, and potassium.
About Au2F8K2
Au2F8K2 is a distinct inorganic compound composed of gold, fluorine, and potassium. As a thermodynamically stable material located on the convex hull, it represents a robust configuration within its chemical system, supported by multiple structural reports across research databases. Its electronic character is defined as semiconducting, making it an interesting candidate for specialized electronic or optoelectronic investigations. The compound's structural integrity suggests it may serve as a reliable building block for advanced fluoride-based materials science research. Its ability to maintain stability while exhibiting semiconducting behavior highlights its potential utility in developing novel functional materials that require specific electronic properties.
Key Properties
Cross-validated computational properties for Au2F8K2, 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 Au2F8K2, 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/mcm (No. 140) | tetragonal | 2.08 | 0.0000 | -4.080 | 5.07 |
| I4/mcm (No. 140) | — | — | — | — | — |
| — | — | — | — | — | 4.72 |
| I4/mcm (No. 140) | — | — | — | — | — |
| — | — | — | — | — | 4.51 |
| — | — | — | — | — | 4.75 |
Applications
Where Au2F8K2 is used.
Frequently Asked Questions
Common questions about Au2F8K2, answered from cross-validated data.
What is Au2F8K2?
Au2F8K2 is a thermodynamically stable semiconducting compound containing gold, fluorine, and potassium.
What is Au2F8K2 used for?
What is the band gap of Au2F8K2?
Is Au2F8K2 a metal, semiconductor, or insulator?
Is Au2F8K2 thermodynamically stable?
What is the crystal structure of Au2F8K2?
What is the density of Au2F8K2?
How many polymorphs of Au2F8K2 are known?
What elements does Au2F8K2 contain?
Where does the data for Au2F8K2 come from?
How It Compares
As a unique entry in the current dataset, Au2F8K2 serves as a primary reference point for its specific stoichiometry. Without direct structural siblings in this class, it stands as a standalone example of how gold-fluoride-potassium systems can achieve thermodynamic stability while maintaining semiconducting electronic characteristics.
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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