Ca16F8O28Si8
Ca16F8O28Si8 is a thermodynamically stable, insulating compound containing calcium, fluorine, oxygen, and silicon.
About Ca16F8O28Si8
Ca16F8O28Si8 is a complex inorganic compound composed of calcium, fluorine, oxygen, and silicon. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that maintains its integrity under standard conditions. Its insulating electronic character suggests potential utility in applications requiring dielectric properties or high-stability structural frameworks. The compound is characterized by a well-defined atomic arrangement that has been documented across multiple structural studies, highlighting its significance in the broader landscape of complex silicate-fluoride materials. Its stability makes it an intriguing candidate for fundamental research into how fluorine substitution influences the electronic and physical behavior of silicate-based networks.
Key Properties
Cross-validated computational properties for Ca16F8O28Si8, 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 Ca16F8O28Si8, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 4.82 | 0.0000 | -7.452 | 2.90 |
| No. 0 | unknown | — | — | — | 0.75 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.75 |
| No. 0 | unknown | — | — | — | 0.76 |
Applications
Where Ca16F8O28Si8 is used.
Frequently Asked Questions
Common questions about Ca16F8O28Si8, answered from cross-validated data.
What is Ca16F8O28Si8?
Ca16F8O28Si8 is a thermodynamically stable, insulating compound containing calcium, fluorine, oxygen, and silicon.
What is Ca16F8O28Si8 used for?
What is the band gap of Ca16F8O28Si8?
Is Ca16F8O28Si8 a metal, semiconductor, or insulator?
Is Ca16F8O28Si8 thermodynamically stable?
What is the crystal structure of Ca16F8O28Si8?
What is the density of Ca16F8O28Si8?
How many polymorphs of Ca16F8O28Si8 are known?
What elements does Ca16F8O28Si8 contain?
Where does the data for Ca16F8O28Si8 come from?
How It Compares
As a unique complex silicate-fluoride, this compound serves as a distinct example of how multi-anion coordination can stabilize complex lattice structures. Without direct structural siblings in this specific class, it stands as a reference point for understanding the interplay between calcium-oxygen polyhedra and fluorine-doped silicon environments, offering insights into the synthesis of highly stable, insulating inorganic materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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