Al4F12K8O16S4
Al4F12K8O16S4 is a stable, insulating inorganic compound composed of aluminum, fluorine, potassium, oxygen, and sulfur.
About Al4F12K8O16S4
Al4F12K8O16S4 is a complex inorganic compound that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined by a wide band gap, classifying it as an insulator with high structural integrity.
This material is recognized for its structural consistency across multiple databases, reflecting its robust nature. As a stable crystalline solid, it serves as a subject of interest for researchers investigating complex fluoride-sulfate frameworks.
Key Properties
Cross-validated computational properties for Al4F12K8O16S4, 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 Al4F12K8O16S4, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 5.78 | 0.0000 | -6.123 | 2.80 |
| Pbcn (No. 60) | — | — | — | — | — |
| — | — | — | — | — | 2.09 |
Frequently Asked Questions
Common questions about Al4F12K8O16S4, answered from cross-validated data.
What is Al4F12K8O16S4?
Al4F12K8O16S4 is a stable, insulating inorganic compound composed of aluminum, fluorine, potassium, oxygen, and sulfur.
What is the band gap of Al4F12K8O16S4?
Is Al4F12K8O16S4 a metal, semiconductor, or insulator?
Is Al4F12K8O16S4 thermodynamically stable?
What is the crystal structure of Al4F12K8O16S4?
What is the density of Al4F12K8O16S4?
How many polymorphs of Al4F12K8O16S4 are known?
What elements does Al4F12K8O16S4 contain?
Where does the data for Al4F12K8O16S4 come from?
How It Compares
As a unique inorganic compound, Al4F12K8O16S4 occupies a distinct position within its structural class. It demonstrates high thermodynamic stability, serving as a reliable reference point for future studies involving multi-elemental aluminum-based frameworks.
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).
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