Co2O6Zr2
Co2O6Zr2 is a semiconducting, metastable oxide material investigated for its potential to catalyze oxygen-evolution reactions in electrochemical devices.
About Co2O6Zr2
Co2O6Zr2 is a semiconducting oxide that functions as a specialized oxygen-evolution catalyst. Its metastable nature suggests a complex synthesis landscape, making it a subject of interest for researchers looking to tune catalytic activity through structural manipulation.
This material plays a niche role in the broader family of transition metal oxides utilized for energy conversion. By leveraging its electronic properties, it serves as a candidate for developing more efficient electrodes in electrochemical systems where oxygen-evolution kinetics are critical.
Key Properties
Cross-validated computational properties for Co2O6Zr2, 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.
Reported Structures
Lowest-energy structures reported for Co2O6Zr2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.00 | 0.0785 | -8.823 | 5.75 |
| R-3 (No. 148) | trigonal | 0.00 | 0.0971 | -8.805 | 5.46 |
| — | — | — | — | — | 5.47 |
| R3c (No. 161) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
Applications
Where Co2O6Zr2 is used.
Frequently Asked Questions
Common questions about Co2O6Zr2, answered from cross-validated data.
What is Co2O6Zr2?
Co2O6Zr2 is a semiconducting, metastable oxide material investigated for its potential to catalyze oxygen-evolution reactions in electrochemical devices.
What is Co2O6Zr2 used for?
What is the band gap of Co2O6Zr2?
Is Co2O6Zr2 a metal, semiconductor, or insulator?
Is Co2O6Zr2 thermodynamically stable?
What is the crystal structure of Co2O6Zr2?
What is the density of Co2O6Zr2?
How many polymorphs of Co2O6Zr2 are known?
What elements does Co2O6Zr2 contain?
Where does the data for Co2O6Zr2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, Co2O6Zr2 represents a more complex, multi-metal oxide architecture compared to simpler binary systems like NiO. While materials such as LiCoO2 and LaMnO3 are widely established for their stability and performance in battery and catalytic applications, Co2O6Zr2 offers a distinct structural alternative that may provide unique active sites for electrochemical reactions.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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