Y2SiO5
Yttrium orthosilicate · YSO
Yttrium orthosilicate is a ceramic material frequently utilized for its optical properties. It is primarily employed as a host material for rare-earth dopants in various photonic and luminescent devices.
OSiY
Overview
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.
3.94–4.77 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.
13
3 databases, 2 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 4.77 | 0.0000 | -9.179 | 4.42 |
| P21/c (No. 14) | monoclinic | 4.74 | 0.0250 | -9.154 | 4.78 |
| P21/c (No. 14) | monoclinic | 3.94 | 0.1122 | -9.067 | 4.51 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.27 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.55 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.51 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.62 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.90 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.38 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.80 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.61 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Y2SiO5.
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Yttrium orthosilicate is used.
ScintillatorsLaser host materialsPhosphorsThermal barrier coatings
Reference
Frequently Asked Questions
Common questions about Yttrium orthosilicate, answered from cross-validated data.
What is Y2SiO5?
Yttrium orthosilicate is a ceramic material frequently utilized for its optical properties. It is primarily employed as a host material for rare-earth dopants in various photonic and luminescent devices.
More questions
What is Y2SiO5 used for?
Yttrium orthosilicate (Y2SiO5) is used in scintillators, laser host materials, phosphors, and thermal barrier coatings.
What is the band gap of Y2SiO5?
Yttrium orthosilicate (Y2SiO5) has a DFT-computed band gap of 3.94–4.77 eV across 13 reported structures.
Is Y2SiO5 a metal, semiconductor, or insulator?
With a wide band gap up to 4.77 eV it is an insulator / wide-band-gap material.
Is Y2SiO5 thermodynamically stable?
Yes — Yttrium orthosilicate (Y2SiO5) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Y2SiO5?
The lowest-energy reported polymorph of Yttrium orthosilicate (Y2SiO5) is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Y2SiO5?
The computed density of the ground-state structure of Yttrium orthosilicate (Y2SiO5) is 4.42 g/cm³.
How many polymorphs of Y2SiO5 are known?
13 structures of Y2SiO5 are reported across 3 databases, spanning 2 distinct space groups.
How is Y2SiO5 synthesized?
Literature-reported routes for Y2SiO5 include sol-gel (5 procedures documented).
What elements does Y2SiO5 contain?
Yttrium orthosilicate (Y2SiO5) contains O, Si, and Y (3 elements).
Where does the data for Y2SiO5 come from?
Y2SiO5 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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