TiSnO3
TiSnO3 is a semiconducting ternary oxide material being explored for its potential role in transparent electronics and optoelectronic technologies.
About TiSnO3
TiSnO3 belongs to the class of transparent conducting oxides, materials prized for their unique ability to combine electrical conductivity with optical transparency. As a semiconducting oxide, it sits in a strategic position for developing thin-film electronics and next-generation optoelectronic devices.
With a thermodynamic profile that places it near the hull, this compound is considered a viable candidate for experimental synthesis. Its structural versatility is evidenced by the multiple reported configurations, suggesting potential for tuning its properties to meet specific industrial requirements.
Key Properties
Cross-validated computational properties for TiSnO3, 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 TiSnO3. 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 TiSnO3, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 1.15 | 0.0021 | -8.104 | 4.54 |
| R-3 (No. 148) | trigonal | 1.27 | 0.0105 | -2.523 | — |
| — | — | 0.75 | 0.0238 | -2.542 | — |
| — | — | 0.74 | 0.0782 | -2.488 | — |
| Pm-3m (No. 221) | cubic | 1.36 | 0.1142 | -2.420 | — |
| Pm-3m (No. 221) | cubic | 1.15 | 0.1254 | -2.408 | — |
| — | — | 0.53 | 0.1368 | -2.429 | — |
| — | — | 0.63 | 0.1429 | -2.423 | — |
| — | — | 0.64 | 0.1451 | -2.421 | — |
| — | — | 1.07 | 0.1512 | -2.415 | — |
| — | — | 1.03 | 0.1551 | -2.411 | — |
| Pm-3m (No. 221) | cubic | 1.05 | 0.1601 | -7.946 | 5.78 |
Applications
Where TiSnO3 is used.
Frequently Asked Questions
Common questions about TiSnO3, answered from cross-validated data.
What is TiSnO3?
TiSnO3 is a semiconducting ternary oxide material being explored for its potential role in transparent electronics and optoelectronic technologies.
What is TiSnO3 used for?
What is the band gap of TiSnO3?
Is TiSnO3 a metal, semiconductor, or insulator?
Is TiSnO3 thermodynamically stable?
What is the crystal structure of TiSnO3?
How many polymorphs of TiSnO3 are known?
What elements does TiSnO3 contain?
Where does the data for TiSnO3 come from?
How It Compares
Within the transparent conducting oxides class.
Within the diverse family of transparent conducting oxides, TiSnO3 offers a distinct chemical alternative to more traditional, widely utilized systems like BaSnO3 or ZnO. While many members of this class are heavily optimized for specific conductivity thresholds, TiSnO3 provides a unique structural framework that may allow for different band engineering strategies compared to the more common binary or ternary oxides.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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