F4O12Se4Y4
F4O12Se4Y4 is a thermodynamically stable, insulating inorganic compound composed of fluorine, oxygen, selenium, and yttrium.
About F4O12Se4Y4
F4O12Se4Y4 is a complex inorganic compound characterized by its wide-gap insulating nature. As a thermodynamically stable material residing on the convex hull, it represents a robust structural arrangement of fluorine, oxygen, selenium, and yttrium atoms.
Its stability and electronic properties make it a subject of interest for researchers studying insulating frameworks. With multiple reported structures across various databases, it serves as a significant reference point for understanding the interplay between these specific elements in solid-state chemistry.
Key Properties
Cross-validated computational properties for F4O12Se4Y4, 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 F4O12Se4Y4, 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 | 3.88 | 0.0000 | -7.274 | 3.90 |
| P21/c (No. 14) | monoclinic | 4.27 | 0.0237 | -7.251 | 4.88 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 4.62 |
Applications
Where F4O12Se4Y4 is used.
Frequently Asked Questions
Common questions about F4O12Se4Y4, answered from cross-validated data.
What is F4O12Se4Y4?
F4O12Se4Y4 is a thermodynamically stable, insulating inorganic compound composed of fluorine, oxygen, selenium, and yttrium.
What is F4O12Se4Y4 used for?
What is the band gap of F4O12Se4Y4?
Is F4O12Se4Y4 a metal, semiconductor, or insulator?
Is F4O12Se4Y4 thermodynamically stable?
What is the crystal structure of F4O12Se4Y4?
What is the density of F4O12Se4Y4?
How many polymorphs of F4O12Se4Y4 are known?
What elements does F4O12Se4Y4 contain?
Where does the data for F4O12Se4Y4 come from?
How It Compares
As a unique inorganic compound, F4O12Se4Y4 occupies a specialized niche in materials science. It demonstrates high thermodynamic stability, positioning it as a reliable candidate for further investigation into the fundamental behavior of complex oxyfluoride-selenide 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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