Ti2CdO5
Ti2CdO5 is a metastable, semiconducting oxide material investigated for its potential applications in transparent electronics.
About Ti2CdO5
Ti2CdO5 is a complex oxide belonging to the class of transparent conducting oxides. As a semiconducting material, it represents a specialized niche within this functional group, characterized by its metastable nature which suggests unique synthesis pathways and potential for tailored electronic behavior.
Its structural identity is defined by the interaction between titanium, cadmium, and oxygen, positioning it as an intriguing candidate for research into new optoelectronic materials. While not as widely deployed as traditional binary oxides, its existence in multiple structural configurations highlights its versatility for fundamental materials science studies.
Key Properties
Cross-validated computational properties for Ti2CdO5, 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 Ti2CdO5. 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 Ti2CdO5, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 2.51 | 0.0430 | -8.129 | 4.64 |
| — | — | 2.46 | 0.0432 | -2.724 | — |
| Cmcm (No. 63) | orthorhombic | 2.56 | 0.0622 | -2.697 | — |
| Cmcm (No. 63) | orthorhombic | — | — | — | 4.77 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 4.94 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 4.64 |
Applications
Where Ti2CdO5 is used.
Frequently Asked Questions
Common questions about Ti2CdO5, answered from cross-validated data.
What is Ti2CdO5?
Ti2CdO5 is a metastable, semiconducting oxide material investigated for its potential applications in transparent electronics.
What is Ti2CdO5 used for?
What is the band gap of Ti2CdO5?
Is Ti2CdO5 a metal, semiconductor, or insulator?
Is Ti2CdO5 thermodynamically stable?
What is the crystal structure of Ti2CdO5?
What is the density of Ti2CdO5?
How many polymorphs of Ti2CdO5 are known?
What elements does Ti2CdO5 contain?
Where does the data for Ti2CdO5 come from?
How It Compares
Within the transparent conducting oxides class.
Within the broader class of transparent conducting oxides, Ti2CdO5 occupies a distinct position compared to more conventional materials like ZnO or BaSnO3. While ZnO is a well-established industrial standard, Ti2CdO5 is distinguished by its metastable character, which contrasts with the highly stable, widely utilized spinel and perovskite structures found in siblings like ZnGa2O4 or LaGaO3.
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)
- 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)
- 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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