Y2Si2O7
Yttrium pyrosilicate · YPS
Yttrium pyrosilicate is a ceramic material known for its high thermal stability and chemical resistance. It is primarily utilized as a protective coating to improve the durability of components exposed to extreme environments.
OSiY
Overview
Key Properties
Cross-validated computational properties for Yttrium pyrosilicate, 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.
4.60–5.38 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.
23
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Y2Si2O7, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 4.71 | 0.0000 | -8.990 | 4.26 |
| C2/m (No. 12) | monoclinic | 4.80 | 0.0130 | -8.977 | 4.01 |
| P21/c (No. 14) | monoclinic | 4.93 | 0.0154 | -8.974 | 4.05 |
| P21/m (No. 11) | monoclinic | 5.18 | 0.0229 | -8.967 | 3.94 |
| Pnma (No. 62) | orthorhombic | 5.38 | 0.0233 | -8.966 | 3.96 |
| P-1 (No. 2) | triclinic | 4.93 | 0.0360 | -8.954 | 4.23 |
| P21/m (No. 11) | monoclinic | 4.60 | 0.0470 | -8.943 | 3.88 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.03 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.89 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.20 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.94 |
| P21/m (No. 11) | — | — | — | — | — |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Y2Si2O7.
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 pyrosilicate is used.
Environmental barrier coatingsThermal barrier coatingsCeramic matrix compositesScintillator materials
Reference
Frequently Asked Questions
Common questions about Yttrium pyrosilicate, answered from cross-validated data.
What is Y2Si2O7?
Yttrium pyrosilicate is a ceramic material known for its high thermal stability and chemical resistance. It is primarily utilized as a protective coating to improve the durability of components exposed to extreme environments.
More questions
What is Y2Si2O7 used for?
Yttrium pyrosilicate (Y2Si2O7) is used in environmental barrier coatings, thermal barrier coatings, ceramic matrix composites, and scintillator materials.
What is the band gap of Y2Si2O7?
Yttrium pyrosilicate (Y2Si2O7) has a DFT-computed band gap of 4.60–5.38 eV across 23 reported structures.
Is Y2Si2O7 a metal, semiconductor, or insulator?
With a wide band gap up to 5.38 eV it is an insulator / wide-band-gap material.
Is Y2Si2O7 thermodynamically stable?
Yes — Yttrium pyrosilicate (Y2Si2O7) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Y2Si2O7?
The lowest-energy reported polymorph of Yttrium pyrosilicate (Y2Si2O7) is triclinic symmetry, space group P-1 (No. 2).
What is the density of Y2Si2O7?
The computed density of the ground-state structure of Yttrium pyrosilicate (Y2Si2O7) is 4.26 g/cm³.
How many polymorphs of Y2Si2O7 are known?
23 structures of Y2Si2O7 are reported across 3 databases, spanning 5 distinct space groups.
How is Y2Si2O7 synthesized?
Literature-reported routes for Y2Si2O7 include sol-gel (3 procedures documented).
What elements does Y2Si2O7 contain?
Yttrium pyrosilicate (Y2Si2O7) contains O, Si, and Y (3 elements).
Where does the data for Y2Si2O7 come from?
Y2Si2O7 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 Y2Si2O7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →