Ta2Sn2O7
Ta2Sn2O7 is a metastable semiconducting oxide utilized in materials science research for its potential role in transparent conducting electronic applications.
About Ta2Sn2O7
Ta2Sn2O7 is a complex oxide belonging to the family of transparent conducting oxides. As a semiconducting material, it represents an interesting candidate for research into optoelectronic components where specific electronic transport properties are required.
Although it is classified as a metastable compound, its structural diversity has been documented across multiple databases. This metastability suggests that precise synthesis conditions are vital for stabilizing the material for potential integration into advanced electronic devices.
Key Properties
Cross-validated computational properties for Ta2Sn2O7, 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 Ta2Sn2O7. 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 Ta2Sn2O7, 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 | 1.55 | 0.0716 | -2.426 | — |
| Fd-3m (No. 227) | cubic | 1.49 | 0.0779 | -8.695 | 7.65 |
| — | — | 1.48 | 0.0781 | -2.503 | — |
| — | — | 0.00 | 0.3496 | -2.231 | — |
| Fd-3m (No. 227) | cubic | — | — | — | 8.21 |
| Fd-3m (No. 227) | cubic | — | — | — | 8.23 |
| Fd-3m (No. 227) | cubic | — | — | — | 8.21 |
| Fd-3m (No. 227) | cubic | — | — | — | 7.65 |
| Fd-3m (No. 227) | cubic | — | — | — | 8.11 |
| Fd-3m (No. 227) | cubic | — | — | — | 7.83 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ta2Sn2O7.
Applications
Where Ta2Sn2O7 is used.
Frequently Asked Questions
Common questions about Ta2Sn2O7, answered from cross-validated data.
What is Ta2Sn2O7?
Ta2Sn2O7 is a metastable semiconducting oxide utilized in materials science research for its potential role in transparent conducting electronic applications.
What is Ta2Sn2O7 used for?
What is the band gap of Ta2Sn2O7?
Is Ta2Sn2O7 a metal, semiconductor, or insulator?
Is Ta2Sn2O7 thermodynamically stable?
What is the crystal structure of Ta2Sn2O7?
How many polymorphs of Ta2Sn2O7 are known?
How is Ta2Sn2O7 synthesized?
What elements does Ta2Sn2O7 contain?
Where does the data for Ta2Sn2O7 come from?
How It Compares
Within the transparent conducting oxides class.
Within the broader class of transparent conducting oxides, Ta2Sn2O7 occupies a distinct niche compared to more common, highly stable oxides like BaSnO3 or ZnO. While many members of this class are utilized for their robust performance in standard transparent electronics, Ta2Sn2O7 is primarily of interest for its unique structural configuration and electronic behavior, offering a different pathway for material design than the widely used spinel-structured oxides like ZnGa2O4.
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)
- 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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