CaCd3O4
CaCd3O4 is a thermodynamically stable, semiconducting oxide material utilized in the research and development of transparent conducting electronics.
About CaCd3O4
CaCd3O4 is a complex oxide that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. As a semiconducting member of the transparent conducting oxide family, it possesses a unique electronic structure that makes it a subject of interest for researchers studying light-transmitting materials. Its structural complexity is highlighted by the multiple reported configurations found in materials databases, reflecting its versatility in solid-state chemistry. This compound serves as a critical candidate for developing new functional materials where transparency and electronic conductivity must be balanced. Its stability suggests potential for reliable performance in thin-film devices and other high-precision technological environments.
Key Properties
Cross-validated computational properties for CaCd3O4, aggregated across 4 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 CaCd3O4. 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 CaCd3O4, 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 | 0.19 | 0.0000 | -4.934 | 6.89 |
| P4/mmm (No. 123) | tetragonal | 0.12 | 0.0000 | -1.718 | — |
| — | — | 0.00 | 0.0000 | -1.743 | — |
| P4/mmm (No. 123) | tetragonal | 0.05 | 0.0019 | -4.932 | 6.88 |
| — | — | 0.41 | 0.0048 | -1.738 | — |
| Cmmm (No. 65) | orthorhombic | 0.35 | 0.0075 | -1.711 | — |
| Cmmm (No. 65) | orthorhombic | — | — | — | 6.89 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 6.65 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 6.88 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 6.66 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 7.04 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 7.02 |
Applications
Where CaCd3O4 is used.
Frequently Asked Questions
Common questions about CaCd3O4, answered from cross-validated data.
What is CaCd3O4?
CaCd3O4 is a thermodynamically stable, semiconducting oxide material utilized in the research and development of transparent conducting electronics.
What is CaCd3O4 used for?
What is the band gap of CaCd3O4?
Is CaCd3O4 a metal, semiconductor, or insulator?
Is CaCd3O4 thermodynamically stable?
What is the crystal structure of CaCd3O4?
What is the density of CaCd3O4?
How many polymorphs of CaCd3O4 are known?
What elements does CaCd3O4 contain?
Where does the data for CaCd3O4 come from?
How It Compares
Within the transparent conducting oxides class.
Within the diverse group of transparent conducting oxides, CaCd3O4 distinguishes itself from more conventional materials like ZnO by its distinct stoichiometry and structural arrangement. While compounds such as BaSnO3 are widely recognized for their high conductivity, CaCd3O4 offers a different compositional profile that expands the available design space for semiconducting oxides, providing an alternative to the more commonly studied zinc-based systems like ZnGa2O4 or Zn2SiO4.
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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