K3SbF6
K3SbF6 is a metastable, insulating fluoride compound composed of potassium, antimony, and fluorine.
About K3SbF6
K3SbF6 is an insulating fluoride compound characterized by a wide electronic band gap. As a metastable material, it represents a unique configuration of potassium, antimony, and fluorine atoms that requires specific conditions for synthesis and stabilization.
Its electronic properties make it a subject of interest for researchers studying wide-gap insulators. While its metastable nature presents challenges for practical deployment, it serves as a valuable case study for understanding the structural diversity within complex fluoride systems.
Key Properties
Cross-validated computational properties for K3SbF6, 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 K3SbF6, 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 | 3.84 | 0.0915 | -4.729 | 2.77 |
| Fm-3m (No. 225) | Cubic | — | — | — | 2.77 |
| Fm-3m (No. 225) | Cubic | — | — | — | 2.87 |
| Fm-3m (No. 225) | Cubic | — | — | — | 2.88 |
| Fm-3m (No. 225) | — | — | — | — | — |
Frequently Asked Questions
Common questions about K3SbF6, answered from cross-validated data.
What is K3SbF6?
K3SbF6 is a metastable, insulating fluoride compound composed of potassium, antimony, and fluorine.
What is the band gap of K3SbF6?
Is K3SbF6 a metal, semiconductor, or insulator?
Is K3SbF6 thermodynamically stable?
What is the crystal structure of K3SbF6?
What is the density of K3SbF6?
How many polymorphs of K3SbF6 are known?
What elements does K3SbF6 contain?
Where does the data for K3SbF6 come from?
How It Compares
As a standalone entry in this specific chemical space, K3SbF6 serves as an important reference point for the study of metastable complex fluorides. Its existence as a distinct structural entity highlights the potential for varied coordination environments in antimony-based halides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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