Ta2SnO7
Ta2SnO7 is a semiconducting oxide material containing tantalum and tin that is primarily studied for its structural characteristics within the field of transparent conducting oxides.
About Ta2SnO7
Ta2SnO7 is a complex oxide composed of tantalum, tin, and oxygen, categorized within the family of transparent conducting oxides. As a semiconducting material, it represents a specialized area of study for researchers looking to expand the library of optically transparent electronic components.
While the compound exhibits a variety of structural configurations across multiple databases, its thermodynamic profile suggests it resides above the stability hull. This positioning makes it a subject of interest for fundamental materials science research aimed at understanding the synthesis and stabilization of complex oxide phases.
Key Properties
Cross-validated computational properties for Ta2SnO7, 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 Ta2SnO7. 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 Ta2SnO7, 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 | 1.66 | 0.1479 | -2.521 | — |
| — | — | 1.84 | 0.1871 | -2.600 | — |
| C2/c (No. 15) | monoclinic | 1.49 | 0.1948 | -9.018 | 9.16 |
| C2/c (No. 15) | monoclinic | — | — | — | 8.51 |
| C2/c (No. 15) | monoclinic | — | — | — | 9.16 |
| C2/c (No. 15) | monoclinic | — | — | — | 9.86 |
| C2/c (No. 15) | monoclinic | — | — | — | 9.39 |
Applications
Where Ta2SnO7 is used.
Frequently Asked Questions
Common questions about Ta2SnO7, answered from cross-validated data.
What is Ta2SnO7?
Ta2SnO7 is a semiconducting oxide material containing tantalum and tin that is primarily studied for its structural characteristics within the field of transparent conducting oxides.
What is Ta2SnO7 used for?
What is the band gap of Ta2SnO7?
Is Ta2SnO7 a metal, semiconductor, or insulator?
Is Ta2SnO7 thermodynamically stable?
What is the crystal structure of Ta2SnO7?
How many polymorphs of Ta2SnO7 are known?
What elements does Ta2SnO7 contain?
Where does the data for Ta2SnO7 come from?
How It Compares
Within the transparent conducting oxides class.
Within the broader class of transparent conducting oxides, Ta2SnO7 occupies a more experimental niche compared to well-established, highly stable materials like BaSnO3 or ZnO. While BaSnO3 is widely recognized for its robust performance in electronic devices, Ta2SnO7 serves as a distinct, less conventional member of the group that challenges current understanding of phase stability in multi-component oxide systems.
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)
- 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)
- 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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