TiSnO4
TiSnO4 is a metastable semiconducting oxide material studied for its potential utility in transparent electronic and optoelectronic technologies.
About TiSnO4
TiSnO4 is a semiconducting oxide that belongs to the class of transparent conducting materials. Its electronic structure and composition make it an intriguing subject for researchers investigating materials that balance optical transparency with electrical conductivity. As a metastable phase, this compound represents a unique structural configuration within the oxide family. Its existence across multiple reported structures highlights its complexity and the ongoing interest in stabilizing such phases for advanced functional applications.
Key Properties
Cross-validated computational properties for TiSnO4, aggregated across 2 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 TiSnO4. 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 TiSnO4, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 1.58 | 0.0404 | -8.050 | 5.48 |
| Cm (No. 8) | monoclinic | 1.84 | 0.0440 | -2.485 | — |
| Cm (No. 8) | monoclinic | 1.84 | 0.0478 | -8.043 | 5.43 |
| I-4m2 (No. 119) | tetragonal | 2.25 | 0.0695 | -8.021 | 4.88 |
| I-4m2 (No. 119) | tetragonal | 2.27 | 0.0982 | -2.431 | — |
| Cm (No. 8) | monoclinic | — | — | — | 5.84 |
| Cm (No. 8) | monoclinic | — | — | — | 5.60 |
| Cm (No. 8) | monoclinic | — | — | — | 5.43 |
| I-4m2 (No. 119) | tetragonal | — | — | — | 4.88 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 5.48 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 5.86 |
| I-4m2 (No. 119) | tetragonal | — | — | — | 5.02 |
Synthesis Routes
Literature-extracted synthesis procedures targeting TiSnO4.
Applications
Where TiSnO4 is used.
Frequently Asked Questions
Common questions about TiSnO4, answered from cross-validated data.
What is TiSnO4?
TiSnO4 is a metastable semiconducting oxide material studied for its potential utility in transparent electronic and optoelectronic technologies.
What is TiSnO4 used for?
What is the band gap of TiSnO4?
Is TiSnO4 a metal, semiconductor, or insulator?
Is TiSnO4 thermodynamically stable?
What is the crystal structure of TiSnO4?
What is the density of TiSnO4?
How many polymorphs of TiSnO4 are known?
How is TiSnO4 synthesized?
What elements does TiSnO4 contain?
Where does the data for TiSnO4 come from?
How It Compares
Within the transparent conducting oxides class.
Within the broader family of transparent conducting oxides, TiSnO4 occupies a distinct position compared to more conventional materials like BaSnO3 or ZnO. While many members of this class are characterized by high thermodynamic stability, TiSnO4 is notable for its metastable nature, which offers different pathways for structural tuning and potential performance optimization in thin-film electronics.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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