F8Li2Y2
Lithium yttrium fluoride
This compound is a crystalline material often used as a host matrix for optical materials. It is valued for its ability to incorporate rare earth elements, making it useful for specialized light-emitting technologies.
FLiY
Overview
Key Properties
Cross-validated computational properties for F8Li2Y2, 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.
7.42–7.83 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
12
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for F8Li2Y2, 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 | 7.83 | 0.0000 | -9.923 | 4.02 |
| C2/c (No. 15) | monoclinic | 7.81 | 0.0003 | -9.922 | 3.81 |
| P2/c (No. 13) | monoclinic | 7.42 | 0.0174 | -9.905 | 4.08 |
| — | — | — | — | — | 3.88 |
| P2/c (No. 13) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| — | — | — | — | — | 3.82 |
| I41/a (No. 88) | — | — | — | — | — |
| — | — | — | — | — | 3.82 |
| P2/c (No. 13) | — | — | — | — | — |
Uses
Applications
Where F8Li2Y2 is used.
Laser host materialsScintillation detectorsOptical windowsPhosphor development
Reference
Frequently Asked Questions
Common questions about F8Li2Y2, answered from cross-validated data.
What is F8Li2Y2?
This compound is a crystalline material often used as a host matrix for optical materials. It is valued for its ability to incorporate rare earth elements, making it useful for specialized light-emitting technologies.
More questions
What is F8Li2Y2 used for?
F8Li2Y2 is used in laser host materials, scintillation detectors, optical windows, and phosphor development.
What is the band gap of F8Li2Y2?
F8Li2Y2 has a DFT-computed band gap of 7.42–7.83 eV across 12 reported structures.
Is F8Li2Y2 a metal, semiconductor, or insulator?
With a wide band gap up to 7.83 eV it is an insulator / wide-band-gap material.
Is F8Li2Y2 thermodynamically stable?
Yes — F8Li2Y2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of F8Li2Y2?
The lowest-energy reported polymorph of F8Li2Y2 is tetragonal symmetry, space group I41/a (No. 88).
What is the density of F8Li2Y2?
The computed density of the ground-state structure of F8Li2Y2 is 4.02 g/cm³.
How many polymorphs of F8Li2Y2 are known?
12 structures of F8Li2Y2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does F8Li2Y2 contain?
F8Li2Y2 contains F, Li, and Y (3 elements).
Where does the data for F8Li2Y2 come from?
F8Li2Y2 data is cross-referenced from materials_project, omat24, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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