F36Li18Sc6
F36Li18Sc6 is a stable, wide-band-gap insulating fluoride compound used in advanced materials research.
About F36Li18Sc6
F36Li18Sc6 is a complex fluoride compound characterized by its wide-band-gap insulating electronic profile. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for fundamental studies in solid-state chemistry.
This material is of interest to researchers exploring specialized ionic conductors or dielectric components. Its structural stability across multiple reported configurations underscores its potential utility in high-performance electronic or electrochemical applications where insulating properties are required.
Key Properties
Cross-validated computational properties for F36Li18Sc6, 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 F36Li18Sc6, 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. |
|---|---|---|---|---|---|
| P-3c1 (No. 165) | trigonal | 6.68 | 0.0000 | -7.334 | 2.92 |
| Fm-3m (No. 225) | cubic | 5.94 | 0.2389 | -7.095 | 2.38 |
| P-3c1 (No. 165) | — | — | — | — | — |
| — | — | — | — | — | 2.71 |
Applications
Where F36Li18Sc6 is used.
Frequently Asked Questions
Common questions about F36Li18Sc6, answered from cross-validated data.
What is F36Li18Sc6?
F36Li18Sc6 is a stable, wide-band-gap insulating fluoride compound used in advanced materials research.
What is F36Li18Sc6 used for?
What is the band gap of F36Li18Sc6?
Is F36Li18Sc6 a metal, semiconductor, or insulator?
Is F36Li18Sc6 thermodynamically stable?
What is the crystal structure of F36Li18Sc6?
What is the density of F36Li18Sc6?
How many polymorphs of F36Li18Sc6 are known?
What elements does F36Li18Sc6 contain?
Where does the data for F36Li18Sc6 come from?
How It Compares
As a unique fluoride compound, F36Li18Sc6 occupies a distinct position in materials science research. While it lacks direct structural siblings in this specific classification, its inherent stability and insulating nature distinguish it as a reliable reference point for investigating the behavior of complex lithium-scandium-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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