Cr2Hg2O9
Cr2Hg2O9 is a semiconducting oxide catalyst that exists in a metastable state with complex structural characteristics.
About Cr2Hg2O9
Cr2Hg2O9 is a complex oxide categorized within the spinel-related family of materials. As a semiconducting compound, it exhibits electronic properties that are of interest for specialized catalytic applications where specific charge transport characteristics are required. The material has been identified across multiple structural databases, reflecting a degree of interest in its crystallographic configurations.
Despite its classification, the compound is characterized as being thermodynamically metastable, residing above the stability hull. This suggests that while it can be synthesized and studied in specific structural forms, it may require carefully controlled conditions to maintain its phase integrity, distinguishing it from more robust, naturally occurring spinel oxides.
Key Properties
Cross-validated computational properties for Cr2Hg2O9, 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 Cr2Hg2O9. 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 Cr2Hg2O9, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.40 | 0.1624 | -5.996 | 5.14 |
| C2/c (No. 15) | monoclinic | 0.20 | 0.1883 | -1.009 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 5.14 |
| C2/c (No. 15) | monoclinic | — | — | — | 5.54 |
| C2/c (No. 15) | monoclinic | — | — | — | 5.27 |
Applications
Where Cr2Hg2O9 is used.
Frequently Asked Questions
Common questions about Cr2Hg2O9, answered from cross-validated data.
What is Cr2Hg2O9?
Cr2Hg2O9 is a semiconducting oxide catalyst that exists in a metastable state with complex structural characteristics.
What is Cr2Hg2O9 used for?
What is the band gap of Cr2Hg2O9?
Is Cr2Hg2O9 a metal, semiconductor, or insulator?
Is Cr2Hg2O9 thermodynamically stable?
What is the crystal structure of Cr2Hg2O9?
What is the density of Cr2Hg2O9?
How many polymorphs of Cr2Hg2O9 are known?
What elements does Cr2Hg2O9 contain?
Where does the data for Cr2Hg2O9 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike highly stable and widely utilized spinel oxides such as MgAl2O4 or simple binary oxides like ZnO and NiO, Cr2Hg2O9 exists in a more precarious thermodynamic state. While materials like LaMnO3 or LaNiO3 are frequently employed for their robust performance in high-temperature catalysis, Cr2Hg2O9 represents a more exotic, less common member of the oxide class that challenges standard stability expectations.
Related Compounds
Other Spinel Oxide Catalysts 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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