AlF6K2Li
AlF6K2Li is a stable, wide-band-gap insulating fluoride compound containing aluminum, potassium, and lithium.
About AlF6K2Li
AlF6K2Li is a complex fluoride compound characterized by its insulating electronic nature and high thermodynamic stability. As a material that resides on the convex hull, it represents a robust structural arrangement of aluminum, fluorine, potassium, and lithium ions.
Its wide-band-gap nature makes it an interesting candidate for applications requiring electrical insulation or optical transparency. With multiple reported structures across various databases, it is a well-documented inorganic compound of interest for fundamental materials research.
Key Properties
Cross-validated computational properties for AlF6K2Li, 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 AlF6K2Li, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 7.27 | 0.0000 | -5.404 | 3.14 |
| R-3m (No. 166) | trigonal | 7.22 | 0.0001 | -5.404 | 3.09 |
| Fm-3m (No. 225) | cubic | 7.44 | 0.0016 | -5.403 | 2.96 |
| P6/mmm (No. 191) | hexagonal | 0.00 | 2.2777 | -3.127 | 1.51 |
| — | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where AlF6K2Li is used.
Frequently Asked Questions
Common questions about AlF6K2Li, answered from cross-validated data.
What is AlF6K2Li?
AlF6K2Li is a stable, wide-band-gap insulating fluoride compound containing aluminum, potassium, and lithium.
What is AlF6K2Li used for?
What is the band gap of AlF6K2Li?
Is AlF6K2Li a metal, semiconductor, or insulator?
Is AlF6K2Li thermodynamically stable?
What is the crystal structure of AlF6K2Li?
What is the density of AlF6K2Li?
How many polymorphs of AlF6K2Li are known?
What elements does AlF6K2Li contain?
Where does the data for AlF6K2Li come from?
How It Compares
As a distinct inorganic fluoride, AlF6K2Li serves as a representative example of stable multi-cation complex salts. It occupies a unique position in the landscape of aluminum-based fluorides, providing a stable structural framework that contrasts with simpler binary or ternary fluoride systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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