Y2Si2O7
Yttrium disilicate · Yttrium pyrosilicate
Yttrium disilicate is a stable, insulating ceramic material widely utilized for its excellent thermal properties in high-performance coatings.
About Yttrium disilicate
Yttrium disilicate is a robust inorganic compound that exists as a thermodynamically stable phase on the convex hull. Its insulating electronic character and structural versatility make it a significant material for demanding engineering environments where thermal and chemical resilience are paramount.
With numerous reported structural variations, this compound is highly valued for its ability to maintain integrity under extreme conditions. It serves as a foundational material in specialized ceramic applications, particularly where high-temperature stability is required for structural or protective components.
Key Properties
Cross-validated computational properties for Yttrium disilicate, 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 Y2Si2O7. 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 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. |
|---|---|---|---|---|---|
| — | — | 5.09 | 0.0000 | -3.492 | — |
| C2/m (No. 12) | monoclinic | 4.98 | 0.0000 | -3.435 | — |
| P-1 (No. 2) | triclinic | 4.57 | 0.0000 | -8.990 | 4.26 |
| P21/c (No. 14) | monoclinic | 5.18 | 0.0036 | -3.431 | — |
| P21/m (No. 11) | monoclinic | 5.44 | 0.0071 | -3.428 | — |
| — | — | 5.59 | 0.0103 | -3.481 | — |
| C2/m (No. 12) | monoclinic | 4.81 | 0.0130 | -8.977 | 4.01 |
| P21/c (No. 14) | monoclinic | 4.93 | 0.0154 | -8.974 | 4.05 |
| — | — | 5.22 | 0.0173 | -3.474 | — |
| P21/m (No. 11) | monoclinic | 5.18 | 0.0229 | -8.967 | 3.94 |
| Pnma (No. 62) | orthorhombic | 5.11 | 0.0233 | -8.966 | 3.96 |
| — | — | 4.95 | 0.0235 | -3.468 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Y2Si2O7.
Applications
Where Yttrium disilicate is used.
Frequently Asked Questions
Common questions about Yttrium disilicate, answered from cross-validated data.
What is Y2Si2O7?
Yttrium disilicate is a stable, insulating ceramic material widely utilized for its excellent thermal properties in high-performance coatings.
What is Y2Si2O7 used for?
What is the band gap of Y2Si2O7?
Is Y2Si2O7 a metal, semiconductor, or insulator?
Is Y2Si2O7 thermodynamically stable?
What is the crystal structure of Y2Si2O7?
How many polymorphs of Y2Si2O7 are known?
How is Y2Si2O7 synthesized?
What elements does Y2Si2O7 contain?
Where does the data for Y2Si2O7 come from?
How It Compares
As a highly stable and well-documented material, yttrium disilicate stands as a primary candidate for high-temperature applications within the broader family of rare-earth silicates, offering a reliable benchmark for structural performance and chemical durability.
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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