F6K3Sc
F6K3Sc is a wide-band-gap insulating fluoride compound that is theoretically stable enough to be synthesized for research purposes.
About F6K3Sc
F6K3Sc is a complex fluoride compound characterized by its wide-band-gap insulating electronic profile. Its structural arrangement suggests it acts as a stable dielectric material, making it a subject of interest for fundamental solid-state chemistry investigations. The compound is considered near-hull in terms of thermodynamic stability, indicating that it is a viable candidate for experimental synthesis. With multiple reported structures across databases, it represents an intriguing target for researchers exploring the coordination chemistry of scandium within alkali fluoride frameworks.
Key Properties
Cross-validated computational properties for F6K3Sc, 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 F6K3Sc, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 6.16 | 0.0109 | -5.648 | 2.56 |
| — | — | — | — | — | 2.35 |
| — | — | — | — | — | — |
Applications
Where F6K3Sc is used.
Frequently Asked Questions
Common questions about F6K3Sc, answered from cross-validated data.
What is F6K3Sc?
F6K3Sc is a wide-band-gap insulating fluoride compound that is theoretically stable enough to be synthesized for research purposes.
What is F6K3Sc used for?
What is the band gap of F6K3Sc?
Is F6K3Sc a metal, semiconductor, or insulator?
Is F6K3Sc thermodynamically stable?
What is the crystal structure of F6K3Sc?
What is the density of F6K3Sc?
How many polymorphs of F6K3Sc are known?
What elements does F6K3Sc contain?
Where does the data for F6K3Sc come from?
How It Compares
As a specialized fluoride, F6K3Sc occupies a unique position in materials science where scandium-based insulating phases are evaluated for their structural integrity and potential as host matrices in optoelectronic applications.
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).
- alexandria — Data from alexandria.
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