F40K8Zr8
F40K8Zr8 is a thermodynamically stable, insulating fluoride compound composed of potassium and zirconium.
About F40K8Zr8
F40K8Zr8 is a complex fluoride compound characterized by its wide-band-gap insulating electronic profile. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for fundamental structural investigations in solid-state chemistry.
Its unique composition of potassium, zirconium, and fluorine suggests potential utility in specialized optical or dielectric applications where insulating properties are paramount. The existence of multiple reported structures highlights its structural versatility and interest within the broader field of inorganic fluoride research.
Key Properties
Cross-validated computational properties for F40K8Zr8, 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 F40K8Zr8, 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-1 (No. 2) | triclinic | 5.58 | 0.0000 | -6.552 | 3.93 |
| — | — | — | — | — | 2.53 |
| — | — | — | — | — | 2.53 |
| — | — | — | — | — | 2.53 |
| P-1 (No. 2) | triclinic | — | — | — | 1.96 |
Applications
Where F40K8Zr8 is used.
Frequently Asked Questions
Common questions about F40K8Zr8, answered from cross-validated data.
What is F40K8Zr8?
F40K8Zr8 is a thermodynamically stable, insulating fluoride compound composed of potassium and zirconium.
What is F40K8Zr8 used for?
What is the band gap of F40K8Zr8?
Is F40K8Zr8 a metal, semiconductor, or insulator?
Is F40K8Zr8 thermodynamically stable?
What is the crystal structure of F40K8Zr8?
What is the density of F40K8Zr8?
How many polymorphs of F40K8Zr8 are known?
What elements does F40K8Zr8 contain?
Where does the data for F40K8Zr8 come from?
How It Compares
As a distinct inorganic fluoride, F40K8Zr8 represents a specialized structural arrangement within the landscape of complex halide materials. Its thermodynamic stability distinguishes it as a reliable reference point for understanding the phase behavior of potassium-zirconium-fluorine systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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