F12K4Si2
F12K4Si2 is a stable, wide-band-gap insulating compound composed of potassium, silicon, and fluorine.
About F12K4Si2
F12K4Si2 is a complex fluoride compound characterized by its wide-band-gap insulating electronic profile. As a material that resides on the thermodynamic convex hull, it exhibits significant structural stability, making it a robust candidate for fundamental studies in inorganic chemistry.
Its unique composition of potassium, silicon, and fluorine allows it to maintain a stable crystalline architecture. This stability is supported by multiple reported structural configurations, highlighting its versatility as a subject for computational and experimental materials research.
Key Properties
Cross-validated computational properties for F12K4Si2, 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 F12K4Si2, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 7.19 | 0.0000 | -5.559 | 2.98 |
| Fm-3m (No. 225) | cubic | 7.22 | 0.0027 | -5.556 | 2.88 |
| P63mc (No. 186) | — | — | — | — | — |
| — | — | — | — | — | 2.74 |
| — | — | — | — | — | 2.60 |
| — | — | — | — | — | 2.74 |
Frequently Asked Questions
Common questions about F12K4Si2, answered from cross-validated data.
What is F12K4Si2?
F12K4Si2 is a stable, wide-band-gap insulating compound composed of potassium, silicon, and fluorine.
What is the band gap of F12K4Si2?
Is F12K4Si2 a metal, semiconductor, or insulator?
Is F12K4Si2 thermodynamically stable?
What is the crystal structure of F12K4Si2?
What is the density of F12K4Si2?
How many polymorphs of F12K4Si2 are known?
What elements does F12K4Si2 contain?
Where does the data for F12K4Si2 come from?
How It Compares
As a thermodynamically stable fluoride, this compound serves as a distinct example of how alkali and silicon-based anions can organize into highly ordered, insulating frameworks. It represents a specialized niche within complex fluoride materials where structural integrity is prioritized.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze F12K4Si2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →