TiCdO3
TiCdO3 is a thermodynamically stable semiconducting oxide that belongs to the transparent conducting oxide material class.
About TiCdO3
TiCdO3 is a semiconducting oxide that sits firmly on the convex hull, indicating high thermodynamic stability. As a member of the transparent conducting oxide family, it is characterized by its ability to balance electronic conductivity with optical transparency, making it a subject of significant interest for advanced material research.
Its structural diversity is evidenced by numerous reported configurations across multiple databases. This versatility allows researchers to explore its potential in various electronic applications where stable, semiconducting oxide thin films are required for next-generation device architectures.
Key Properties
Cross-validated computational properties for TiCdO3, 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 TiCdO3. 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 TiCdO3, 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 | 2.96 | 0.0000 | -2.457 | — |
| R-3 (No. 148) | trigonal | 2.93 | 0.0000 | -7.411 | 5.81 |
| — | — | 2.95 | 0.0006 | -2.481 | — |
| Pna21 (No. 33) | orthorhombic | 2.38 | 0.0214 | -2.435 | — |
| Pmc21 (No. 26) | orthorhombic | 2.35 | 0.0216 | -2.435 | — |
| Pnma (No. 62) | orthorhombic | 2.14 | 0.0223 | -2.434 | — |
| Pna21 (No. 33) | orthorhombic | 2.42 | 0.0387 | -7.373 | 6.27 |
| Pmc21 (No. 26) | orthorhombic | 2.46 | 0.0396 | -7.372 | 6.03 |
| Pnma (No. 62) | orthorhombic | 2.12 | 0.0425 | -7.369 | 6.08 |
| — | — | 2.12 | 0.0426 | -2.439 | — |
| — | — | 2.39 | 0.0439 | -2.437 | — |
| — | — | 2.23 | 0.0459 | -2.435 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting TiCdO3.
Applications
Where TiCdO3 is used.
Frequently Asked Questions
Common questions about TiCdO3, answered from cross-validated data.
What is TiCdO3?
TiCdO3 is a thermodynamically stable semiconducting oxide that belongs to the transparent conducting oxide material class.
What is TiCdO3 used for?
What is the band gap of TiCdO3?
Is TiCdO3 a metal, semiconductor, or insulator?
Is TiCdO3 thermodynamically stable?
What is the crystal structure of TiCdO3?
How many polymorphs of TiCdO3 are known?
How is TiCdO3 synthesized?
What elements does TiCdO3 contain?
Where does the data for TiCdO3 come from?
How It Compares
Within the transparent conducting oxides class.
Within the broader class of transparent conducting oxides, TiCdO3 occupies a distinct niche compared to more traditional materials like ZnO or BaSnO3. While ZnO is widely utilized for its well-understood conductivity, TiCdO3 offers a different structural framework that complements the complex oxide systems like ZnGa2O4 or CaIn2O4, providing a unique alternative for researchers seeking to tune electronic properties through varied cation arrangements.
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)
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