YOF
Yttrium oxyfluoride · Yttrium(III) oxyfluoride
Yttrium oxyfluoride is an inorganic compound that serves as a stable ceramic material. It is primarily utilized in advanced optical and electronic applications due to its favorable chemical and thermal properties.
FOY
Overview
Key Properties
Cross-validated computational properties for Yttrium oxyfluoride, 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.
4.87–5.63 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.
30
3 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for YOF, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 4.92 | 0.0000 | -8.671 | 5.24 |
| P4/nmm (No. 129) | tetragonal | 4.95 | 0.0177 | -8.653 | 5.14 |
| F-43m (No. 216) | cubic | 5.63 | 0.0559 | -8.615 | 5.11 |
| C2/m (No. 12) | monoclinic | 4.87 | 0.2978 | -8.373 | 5.49 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.06 |
| Pm (No. 6) | — | — | — | — | — |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 3.64 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 2.62 |
| P4/nmm (No. 129) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 5.23 |
Uses
Applications
Where Yttrium oxyfluoride is used.
Optical coatingsPhosphor host materialsPlasma-resistant componentsCeramic manufacturing
Reference
Frequently Asked Questions
Common questions about Yttrium oxyfluoride, answered from cross-validated data.
What is YOF?
Yttrium oxyfluoride is an inorganic compound that serves as a stable ceramic material. It is primarily utilized in advanced optical and electronic applications due to its favorable chemical and thermal properties.
More questions
What is YOF used for?
Yttrium oxyfluoride (YOF) is used in optical coatings, phosphor host materials, plasma-resistant components, and ceramic manufacturing.
What is the band gap of YOF?
Yttrium oxyfluoride (YOF) has a DFT-computed band gap of 4.87–5.63 eV across 30 reported structures.
Is YOF a metal, semiconductor, or insulator?
With a wide band gap up to 5.63 eV it is an insulator / wide-band-gap material.
Is YOF thermodynamically stable?
Yes — Yttrium oxyfluoride (YOF) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of YOF?
The lowest-energy reported polymorph of Yttrium oxyfluoride (YOF) is trigonal symmetry, space group R-3m (No. 166).
What is the density of YOF?
The computed density of the ground-state structure of Yttrium oxyfluoride (YOF) is 5.24 g/cm³.
How many polymorphs of YOF are known?
30 structures of YOF are reported across 3 databases, spanning 9 distinct space groups.
What elements does YOF contain?
Yttrium oxyfluoride (YOF) contains F, O, and Y (3 elements).
Where does the data for YOF come from?
YOF data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze YOF in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →