CdO2
cadmium peroxide · cadmium dioxide
CdO2 is a metastable semiconducting oxide that serves as a specialized material in the study of transparent conducting oxides.
About cadmium peroxide
Cadmium peroxide is a metastable inorganic compound that functions as a semiconducting member of the transparent conducting oxide class. Its unique electronic configuration and oxygen-rich stoichiometry distinguish it from standard binary oxides, making it a subject of interest for researchers investigating specialized optoelectronic materials.
Due to its metastable nature, this compound is often studied for its potential in chemical synthesis and as a precursor in material fabrication. Its role within the broader family of conducting oxides is defined by its specific structural arrangements, which have been extensively documented across various crystallographic databases.
Key Properties
Cross-validated computational properties for cadmium peroxide, 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 CdO2. 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 CdO2, 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. |
|---|---|---|---|---|---|
| — | — | 1.48 | 0.0132 | -0.813 | — |
| Pa-3 (No. 205) | cubic | 1.27 | 0.0562 | -4.460 | 6.08 |
| Pa-3 (No. 205) | cubic | 1.48 | 0.1156 | -0.669 | — |
| P-1 (No. 2) | triclinic | 0.55 | 0.2056 | -0.579 | — |
| Cm (No. 8) | monoclinic | 0.00 | 0.4059 | -4.110 | 5.47 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.4324 | -4.084 | 5.52 |
| Pmmm (No. 47) | orthorhombic | 0.00 | 0.5662 | -0.218 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.6242 | -0.160 | — |
| — | — | 0.00 | 1.0585 | 0.232 | — |
| — | — | 0.00 | 1.2474 | 0.421 | — |
| P1 (No. 1) | triclinic | — | — | — | 8.22 |
| P1 (No. 1) | triclinic | — | — | — | 3.61 |
Applications
Where cadmium peroxide is used.
Frequently Asked Questions
Common questions about cadmium peroxide, answered from cross-validated data.
What is CdO2?
CdO2 is a metastable semiconducting oxide that serves as a specialized material in the study of transparent conducting oxides.
What is CdO2 used for?
What is the band gap of CdO2?
Is CdO2 a metal, semiconductor, or insulator?
Is CdO2 thermodynamically stable?
What is the crystal structure of CdO2?
What is the density of CdO2?
How many polymorphs of CdO2 are known?
What elements does CdO2 contain?
Where does the data for CdO2 come from?
How It Compares
Within the transparent conducting oxides class.
Unlike the highly stable and widely utilized ZnO, which serves as a benchmark for transparent conducting oxides, CdO2 exists in a metastable state that presents different challenges for thin-film stability and electronic performance. While compounds like BaSnO3 are frequently optimized for high-mobility applications, CdO2 remains a more specialized focus for fundamental studies into peroxide-based semiconducting systems.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- 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)
- 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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