F28Sn4Y4
F28Sn4Y4 is a thermodynamically stable, insulating quaternary fluoride compound containing tin and yttrium.
About F28Sn4Y4
F28Sn4Y4 is a complex inorganic compound composed of fluorine, tin, and yttrium. As a wide-band-gap insulator, it exhibits robust electronic properties that make it a subject of interest for fundamental materials research. Its position on the convex hull confirms that it is a thermodynamically stable phase, suggesting high structural integrity under standard conditions. The material has been documented with multiple distinct structural configurations across various databases, highlighting its versatility in crystalline arrangements. These characteristics are essential for researchers investigating the interplay between heavy metal cations and halide anions in solid-state chemistry.
Key Properties
Cross-validated computational properties for F28Sn4Y4, aggregated across 4 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 F28Sn4Y4, 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 | 4.88 | 0.0000 | -6.206 | 4.33 |
| P21 (No. 4) | monoclinic | 4.77 | 0.0078 | -6.199 | 4.19 |
| P21/c (No. 14) | — | — | — | — | — |
| P21 (No. 4) | monoclinic | — | — | — | 2.18 |
| — | — | — | — | — | 4.06 |
Frequently Asked Questions
Common questions about F28Sn4Y4, answered from cross-validated data.
What is F28Sn4Y4?
F28Sn4Y4 is a thermodynamically stable, insulating quaternary fluoride compound containing tin and yttrium.
What is the band gap of F28Sn4Y4?
Is F28Sn4Y4 a metal, semiconductor, or insulator?
Is F28Sn4Y4 thermodynamically stable?
What is the crystal structure of F28Sn4Y4?
What is the density of F28Sn4Y4?
How many polymorphs of F28Sn4Y4 are known?
What elements does F28Sn4Y4 contain?
Where does the data for F28Sn4Y4 come from?
How It Compares
As a unique inorganic phase, F28Sn4Y4 represents a specialized composition within the broader landscape of complex fluoride materials. Unlike more common binary or ternary halides, this quaternary system offers a distinct structural framework that warrants further exploration for its insulating properties and potential for tailored electronic behavior.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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