Y2SiO5
Yttrium orthosilicate · YSO
Yttrium orthosilicate is a stable, insulating ceramic material widely used as an efficient host for optical phosphors and laser gain media.
About Yttrium orthosilicate
Yttrium orthosilicate is a chemically robust inorganic compound that exists as a thermodynamically stable phase. Its insulating electronic character and structural integrity make it a highly reliable host lattice for various functional applications. The material is well-documented in scientific literature, reflecting its versatility in advanced materials research.
Due to its favorable thermal and chemical properties, this compound is primarily utilized in the development of phosphors and laser host materials. Its ability to accommodate dopants while maintaining structural stability ensures its continued relevance in the design of high-efficiency optical components.
Key Properties
Cross-validated computational properties for Yttrium orthosilicate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Y2SiO5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Y2SiO5, 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. |
|---|---|---|---|---|---|
| — | — | 5.23 | 0.0000 | -3.600 | — |
| C2/c (No. 15) | monoclinic | 5.02 | 0.0000 | -3.600 | — |
| C2/c (No. 15) | monoclinic | 4.77 | 0.0000 | -9.179 | 4.42 |
| — | — | 5.01 | 0.0035 | -3.596 | — |
| P21/c (No. 14) | monoclinic | 4.73 | 0.0250 | -9.154 | 4.78 |
| P21/c (No. 14) | monoclinic | 3.94 | 0.1122 | -9.067 | 4.51 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.45 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.38 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.27 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.51 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.29 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.62 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Y2SiO5.
Applications
Where Yttrium orthosilicate is used.
Frequently Asked Questions
Common questions about Yttrium orthosilicate, answered from cross-validated data.
What is Y2SiO5?
Yttrium orthosilicate is a stable, insulating ceramic material widely used as an efficient host for optical phosphors and laser gain media.
What is Y2SiO5 used for?
What is the band gap of Y2SiO5?
Is Y2SiO5 a metal, semiconductor, or insulator?
Is Y2SiO5 thermodynamically stable?
What is the crystal structure of Y2SiO5?
How many polymorphs of Y2SiO5 are known?
How is Y2SiO5 synthesized?
What elements does Y2SiO5 contain?
Where does the data for Y2SiO5 come from?
How It Compares
As a standalone material of interest, yttrium orthosilicate serves as a benchmark for stability and optical performance within the silicate family. It is recognized for its structural versatility, having been observed in numerous distinct crystallographic configurations that allow for tailored performance in specialized technical environments.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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