F10Li2U2
F10Li2U2 is a thermodynamically stable semiconducting compound containing lithium, uranium, and fluorine.
About F10Li2U2
F10Li2U2 is a complex fluoride compound composed of lithium, uranium, and fluorine. As a thermodynamically stable material residing on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
The electronic character of this material is defined as semiconducting, suggesting potential utility in specialized electronic or optical applications. Its unique composition makes it a subject of interest for researchers investigating the interplay between actinide chemistry and fluoride-based solid-state materials.
Key Properties
Cross-validated computational properties for F10Li2U2, 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 F10Li2U2, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 0.15 | 0.0000 | -17.814 | 6.34 |
| No. 0 | unknown | — | — | — | 0.39 |
| — | — | — | — | — | 5.10 |
Applications
Where F10Li2U2 is used.
Frequently Asked Questions
Common questions about F10Li2U2, answered from cross-validated data.
What is F10Li2U2?
F10Li2U2 is a thermodynamically stable semiconducting compound containing lithium, uranium, and fluorine.
What is F10Li2U2 used for?
What is the band gap of F10Li2U2?
Is F10Li2U2 a metal, semiconductor, or insulator?
Is F10Li2U2 thermodynamically stable?
What is the crystal structure of F10Li2U2?
What is the density of F10Li2U2?
How many polymorphs of F10Li2U2 are known?
What elements does F10Li2U2 contain?
Where does the data for F10Li2U2 come from?
How It Compares
As a unique ternary fluoride, F10Li2U2 serves as a distinct example of how uranium can be incorporated into stable lithium-fluoride frameworks. Unlike simpler binary fluorides, this compound exhibits a complex stoichiometry that highlights the structural diversity possible within actinide-containing fluoride systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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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