F16K4Sc4
F16K4Sc4 is a stable, insulating fluoride compound composed of potassium, scandium, and fluorine.
About F16K4Sc4
F16K4Sc4 is a complex fluoride compound characterized by its insulating electronic nature and wide-band-gap behavior. As a thermodynamically stable material residing on the convex hull, it represents a robust structural configuration within its chemical system.
This compound is of significant interest in materials research due to its structural stability and distinct electronic properties. Its formation is indicative of favorable energetic conditions, making it a subject of study for researchers investigating advanced inorganic fluoride frameworks.
Key Properties
Cross-validated computational properties for F16K4Sc4, 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 F16K4Sc4, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 6.09 | 0.0000 | -6.430 | 2.65 |
| — | — | — | — | — | 2.20 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where F16K4Sc4 is used.
Frequently Asked Questions
Common questions about F16K4Sc4, answered from cross-validated data.
What is F16K4Sc4?
F16K4Sc4 is a stable, insulating fluoride compound composed of potassium, scandium, and fluorine.
What is F16K4Sc4 used for?
What is the band gap of F16K4Sc4?
Is F16K4Sc4 a metal, semiconductor, or insulator?
Is F16K4Sc4 thermodynamically stable?
What is the crystal structure of F16K4Sc4?
What is the density of F16K4Sc4?
How many polymorphs of F16K4Sc4 are known?
What elements does F16K4Sc4 contain?
Where does the data for F16K4Sc4 come from?
How It Compares
As a unique fluoride phase, F16K4Sc4 serves as a foundational example of structural stability within its specific elemental system, providing a benchmark for understanding how potassium and scandium interact within a fluoride-rich environment.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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