Y2Sn2O7
Yttrium stannate
Yttrium stannate is a stable, semiconducting oxide with a pyrochlore structure used in advanced materials research for optoelectronics and catalysis.
About Yttrium stannate
Yttrium stannate is a thermodynamically stable compound that crystallizes in a pyrochlore-type structure. As a member of the transparent conducting oxide family, it exhibits semiconducting behavior, making it a subject of interest for advanced optoelectronic and catalytic research. Its structural stability is evidenced by its presence on the convex hull, indicating robust phase formation under standard conditions. The material is characterized by a high degree of structural flexibility, which allows for various ionic substitutions that can tune its electronic and optical properties for specific technological needs. It is primarily explored for its potential in high-performance electronics and as a stable host material for luminescent dopants.
Key Properties
Cross-validated computational properties for Yttrium stannate, 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 Y2Sn2O7. 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 Y2Sn2O7, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 2.98 | 0.0000 | -2.797 | — |
| Fd-3m (No. 227) | cubic | 2.75 | 0.0000 | -8.067 | 6.22 |
| — | — | 3.15 | 0.0020 | -2.856 | — |
| — | — | 0.00 | 0.4702 | -2.388 | — |
| Fd-3m (No. 227) | cubic | — | — | — | 6.02 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.47 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.22 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Y2Sn2O7.
Applications
Where Yttrium stannate is used.
Frequently Asked Questions
Common questions about Yttrium stannate, answered from cross-validated data.
What is Y2Sn2O7?
Yttrium stannate is a stable, semiconducting oxide with a pyrochlore structure used in advanced materials research for optoelectronics and catalysis.
What is Y2Sn2O7 used for?
What is the band gap of Y2Sn2O7?
Is Y2Sn2O7 a metal, semiconductor, or insulator?
Is Y2Sn2O7 thermodynamically stable?
What is the crystal structure of Y2Sn2O7?
How many polymorphs of Y2Sn2O7 are known?
How is Y2Sn2O7 synthesized?
What elements does Y2Sn2O7 contain?
Where does the data for Y2Sn2O7 come from?
How It Compares
Within the transparent conducting oxides class.
Unlike the widely utilized ZnO, which is a classic transparent conducting oxide known for its high conductivity, Y2Sn2O7 offers a more complex structural framework that provides greater stability in demanding environments. While materials like BaSnO3 are frequently studied for their high electron mobility, yttrium stannate distinguishes itself through its robust pyrochlore lattice, providing a unique platform for applications where thermal and chemical stability are prioritized over simple conductivity.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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