F14Sr2Ta2
F14Sr2Ta2 is a stable, insulating fluoride compound composed of strontium, tantalum, and fluorine.
About F14Sr2Ta2
F14Sr2Ta2 is a complex fluoride compound characterized by its insulating electronic nature and high thermodynamic stability. As a material residing on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions.
Its wide-band-gap profile suggests potential utility in applications requiring dielectric performance or specialized optical properties. The compound is notable for its structural diversity, with multiple reported configurations documented across various materials databases.
Key Properties
Cross-validated computational properties for F14Sr2Ta2, 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 F14Sr2Ta2, 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/m (No. 11) | monoclinic | 5.49 | 0.0000 | -13.292 | 5.68 |
| P21/m (No. 11) | — | — | — | — | — |
| — | — | — | — | — | 5.39 |
Applications
Where F14Sr2Ta2 is used.
Frequently Asked Questions
Common questions about F14Sr2Ta2, answered from cross-validated data.
What is F14Sr2Ta2?
F14Sr2Ta2 is a stable, insulating fluoride compound composed of strontium, tantalum, and fluorine.
What is F14Sr2Ta2 used for?
What is the band gap of F14Sr2Ta2?
Is F14Sr2Ta2 a metal, semiconductor, or insulator?
Is F14Sr2Ta2 thermodynamically stable?
What is the crystal structure of F14Sr2Ta2?
What is the density of F14Sr2Ta2?
How many polymorphs of F14Sr2Ta2 are known?
What elements does F14Sr2Ta2 contain?
Where does the data for F14Sr2Ta2 come from?
How It Compares
As a unique fluoride phase, F14Sr2Ta2 serves as a foundational example of complex metal-fluoride chemistry. While it stands as a distinct entry in the materials landscape, its stability and insulating character position it as a reference point for exploring the broader structural possibilities within ternary strontium-tantalum-fluoride systems.
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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