F12K2Rb4Y2
F12K2Rb4Y2 is a stable, insulating fluoride compound used in material science research for its robust structural properties.
About F12K2Rb4Y2
F12K2Rb4Y2 is a complex fluoride compound that exhibits wide-band-gap insulating behavior. As a thermodynamically stable material located on the convex hull, it represents a robust structural configuration within its chemical system.
This material is of interest for applications requiring stable, insulating fluoride frameworks. Its structural integrity makes it a significant candidate for research into advanced dielectric materials and optical components where electronic insulation is a primary requirement.
Key Properties
Cross-validated computational properties for F12K2Rb4Y2, 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 F12K2Rb4Y2, 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 | 6.38 | 0.0000 | -5.688 | 3.30 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 2.97 |
Applications
Where F12K2Rb4Y2 is used.
Frequently Asked Questions
Common questions about F12K2Rb4Y2, answered from cross-validated data.
What is F12K2Rb4Y2?
F12K2Rb4Y2 is a stable, insulating fluoride compound used in material science research for its robust structural properties.
What is F12K2Rb4Y2 used for?
What is the band gap of F12K2Rb4Y2?
Is F12K2Rb4Y2 a metal, semiconductor, or insulator?
Is F12K2Rb4Y2 thermodynamically stable?
What is the crystal structure of F12K2Rb4Y2?
What is the density of F12K2Rb4Y2?
How many polymorphs of F12K2Rb4Y2 are known?
What elements does F12K2Rb4Y2 contain?
Where does the data for F12K2Rb4Y2 come from?
How It Compares
As a thermodynamically stable fluoride, F12K2Rb4Y2 serves as a foundational example of structural efficiency within its class of complex alkali-yttrium fluorides. It stands out for its structural reliability, providing a benchmark for stability in similar multi-component 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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