KAuF6
KAuF6 is a stable, semiconducting compound containing potassium, gold, and fluorine.
About KAuF6
KAuF6 is a distinct inorganic compound composed of potassium, gold, and fluorine. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system, offering a reliable subject for structural and electronic investigation.
Exhibiting semiconducting behavior, this material is of interest for researchers exploring the intersection of noble metal chemistry and halide frameworks. Its existence across multiple reported structures highlights its significance as a well-defined, stable entity in solid-state chemistry.
Key Properties
Cross-validated computational properties for KAuF6, 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 KAuF6, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 2.11 | 0.0000 | -3.805 | 4.89 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 4.37 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 4.69 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.52 |
Applications
Where KAuF6 is used.
Frequently Asked Questions
Common questions about KAuF6, answered from cross-validated data.
What is KAuF6?
KAuF6 is a stable, semiconducting compound containing potassium, gold, and fluorine.
What is KAuF6 used for?
What is the band gap of KAuF6?
Is KAuF6 a metal, semiconductor, or insulator?
Is KAuF6 thermodynamically stable?
What is the crystal structure of KAuF6?
What is the density of KAuF6?
How many polymorphs of KAuF6 are known?
What elements does KAuF6 contain?
Where does the data for KAuF6 come from?
How It Compares
As a unique member of this chemical system, KAuF6 serves as a foundational reference point for understanding the stability and electronic nature of gold-based fluorides. Without direct siblings in this specific class, it stands as a primary example of how gold can integrate into stable, semiconducting fluoride lattices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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