KSb4F13
KSb4F13 is a stable, insulating inorganic fluoride compound featuring potassium and antimony.
About KSb4F13
KSb4F13 is a complex fluoride compound composed of potassium, antimony, and fluorine. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, characterized by a wide-band-gap insulating electronic profile.
The compound is notable for its structural diversity, with multiple reported configurations across research databases. Its insulating nature and stability make it an intriguing subject for fundamental studies in inorganic chemistry and solid-state materials research.
Key Properties
Cross-validated computational properties for KSb4F13, 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 KSb4F13, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 4.40 | 0.0000 | -5.118 | 4.56 |
| I4/m (No. 87) | tetragonal | 4.49 | 0.0671 | -5.050 | 4.11 |
| I4/m (No. 87) | Tetragonal | — | — | — | 4.11 |
| I4/m (No. 87) | Tetragonal | — | — | — | 4.36 |
| I4/m (No. 87) | Tetragonal | — | — | — | 4.21 |
| I-4 (No. 82) | Tetragonal | — | — | — | 4.27 |
| I4/m (No. 87) | — | — | — | — | — |
| I-4 (No. 82) | Tetragonal | — | — | — | 4.17 |
| I-4 (No. 82) | Tetragonal | — | — | — | 4.42 |
Applications
Where KSb4F13 is used.
Frequently Asked Questions
Common questions about KSb4F13, answered from cross-validated data.
What is KSb4F13?
KSb4F13 is a stable, insulating inorganic fluoride compound featuring potassium and antimony.
What is KSb4F13 used for?
What is the band gap of KSb4F13?
Is KSb4F13 a metal, semiconductor, or insulator?
Is KSb4F13 thermodynamically stable?
What is the crystal structure of KSb4F13?
What is the density of KSb4F13?
How many polymorphs of KSb4F13 are known?
What elements does KSb4F13 contain?
Where does the data for KSb4F13 come from?
How It Compares
As a unique fluoride phase, KSb4F13 serves as a distinct example of how potassium and antimony can coordinate with fluorine to form a stable, insulating lattice. Without direct structural siblings in this specific class, it stands as a standalone reference point for understanding the interplay between heavy metal cations and fluoride anions in solid-state architectures.
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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