Cs2F6NaY
Cs2F6NaY is a stable, wide-gap insulating quaternary fluoride compound.
About Cs2F6NaY
Cs2F6NaY is a quaternary fluoride compound that exhibits a wide-band-gap insulating electronic character. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the landscape of complex fluoride materials.
This material is of interest for research into specialized optical or dielectric components where insulating behavior is required. Its structural stability across multiple databases underscores its potential as a reliable candidate for fundamental materials science investigations.
Key Properties
Cross-validated computational properties for Cs2F6NaY, 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 Cs2F6NaY, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 6.86 | 0.0000 | -5.688 | 4.19 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 3.64 |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Cs2F6NaY is used.
Frequently Asked Questions
Common questions about Cs2F6NaY, answered from cross-validated data.
What is Cs2F6NaY?
Cs2F6NaY is a stable, wide-gap insulating quaternary fluoride compound.
What is Cs2F6NaY used for?
What is the band gap of Cs2F6NaY?
Is Cs2F6NaY a metal, semiconductor, or insulator?
Is Cs2F6NaY thermodynamically stable?
What is the crystal structure of Cs2F6NaY?
What is the density of Cs2F6NaY?
How many polymorphs of Cs2F6NaY are known?
What elements does Cs2F6NaY contain?
Where does the data for Cs2F6NaY come from?
How It Compares
As a unique quaternary fluoride, Cs2F6NaY serves as a distinct example of complex halide chemistry. While it does not share its specific stoichiometry with common binary or ternary fluoride counterparts, its stability on the convex hull positions it as a significant reference point for exploring multi-element fluoride systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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