Ta2SnO6
Ta2SnO6 is a thermodynamically stable, semiconducting oxide material utilized in the development of advanced transparent electronic components.
About Ta2SnO6
Ta2SnO6 is a complex oxide that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a semiconducting member of the transparent conducting oxide family, it represents a specialized material platform for electronic and optical device integration.
With multiple reported structural configurations, this compound offers researchers significant flexibility in tuning its physical properties. Its role as a stable oxide makes it a compelling candidate for thin-film technologies where robust performance and electronic transparency are required.
Key Properties
Cross-validated computational properties for Ta2SnO6, 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 Ta2SnO6. 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 Ta2SnO6, 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 | 2.44 | 0.0000 | -20.275 | 8.18 |
| C2/c (No. 15) | monoclinic | 2.39 | 0.0000 | -2.732 | — |
| — | — | 2.33 | 0.0000 | -2.813 | — |
| Cc (No. 9) | monoclinic | 2.29 | 0.0000 | -9.365 | 7.94 |
| — | — | 2.33 | 0.0002 | -2.813 | — |
| — | — | 1.69 | 0.0598 | -2.753 | — |
| — | — | 1.00 | 0.1173 | -2.696 | — |
| — | — | 2.26 | 0.2033 | -2.610 | — |
| Cc (No. 9) | monoclinic | — | — | — | 8.28 |
| Cc (No. 9) | monoclinic | — | — | — | 8.12 |
| Cc (No. 9) | monoclinic | — | — | — | 7.94 |
| Cc (No. 9) | monoclinic | — | — | — | 8.49 |
Applications
Where Ta2SnO6 is used.
Frequently Asked Questions
Common questions about Ta2SnO6, answered from cross-validated data.
What is Ta2SnO6?
Ta2SnO6 is a thermodynamically stable, semiconducting oxide material utilized in the development of advanced transparent electronic components.
What is Ta2SnO6 used for?
What is the band gap of Ta2SnO6?
Is Ta2SnO6 a metal, semiconductor, or insulator?
Is Ta2SnO6 thermodynamically stable?
What is the crystal structure of Ta2SnO6?
What is the density of Ta2SnO6?
How many polymorphs of Ta2SnO6 are known?
What elements does Ta2SnO6 contain?
Where does the data for Ta2SnO6 come from?
How It Compares
Within the transparent conducting oxides class.
Unlike the widely utilized ZnO, which is a standard benchmark for high-conductivity transparent oxides, Ta2SnO6 occupies a more specialized niche within the class. While materials like BaSnO3 are frequently studied for their high-mobility electron transport, Ta2SnO6 provides a distinct structural alternative that contributes to the diversity of stable oxide semiconductors available for complex device architectures.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- 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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