CdHgO2
CdHgO2 is a thermodynamically stable semiconducting oxide that belongs to the transparent conducting oxide class of materials.
About CdHgO2
CdHgO2 is a thermodynamically stable ternary oxide that functions as a semiconductor. As a member of the transparent conducting oxide family, it represents a specialized material system where the electronic structure is tuned by the combination of cadmium, mercury, and oxygen. Its stability on the convex hull makes it a significant subject for researchers investigating new candidates for optoelectronic applications.
Because of its semiconducting nature, this compound is studied for its potential to bridge the gap between traditional insulating oxides and highly conductive materials. Its structural diversity, supported by multiple reported configurations, allows for nuanced investigations into how heavy metal cations influence the optical and electrical transparency of oxide lattices.
Key Properties
Cross-validated computational properties for CdHgO2, 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 CdHgO2. 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 CdHgO2, 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. |
|---|---|---|---|---|---|
| — | — | 0.67 | 0.0000 | -0.863 | — |
| C2/m (No. 12) | monoclinic | 0.46 | 0.0000 | -0.714 | — |
| R-3m (No. 166) | trigonal | 0.33 | 0.0000 | -3.819 | 8.22 |
| C2/m (No. 12) | monoclinic | 0.36 | 0.0030 | -3.816 | 8.65 |
| C2/m (No. 12) | monoclinic | — | — | — | 9.52 |
Applications
Where CdHgO2 is used.
Frequently Asked Questions
Common questions about CdHgO2, answered from cross-validated data.
What is CdHgO2?
CdHgO2 is a thermodynamically stable semiconducting oxide that belongs to the transparent conducting oxide class of materials.
What is CdHgO2 used for?
What is the band gap of CdHgO2?
Is CdHgO2 a metal, semiconductor, or insulator?
Is CdHgO2 thermodynamically stable?
What is the crystal structure of CdHgO2?
How many polymorphs of CdHgO2 are known?
What elements does CdHgO2 contain?
Where does the data for CdHgO2 come from?
How It Compares
Within the transparent conducting oxides class.
Within the broader class of transparent conducting oxides, CdHgO2 occupies a distinct niche compared to more common binary oxides like ZnO or complex spinel structures such as ZnGa2O4. While materials like ZnO are widely utilized for their established transparency and conductivity, CdHgO2 offers a unique electronic environment due to the presence of mercury, providing a different pathway for band engineering that contrasts with the more conventional wide-gap insulators like Zn2SiO4 or BaSnO3.
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)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
Analyze CdHgO2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →