Co2Hf2O6
Co2Hf2O6 is a semiconducting cobalt-hafnium oxide that is being researched for its catalytic activity in oxygen-evolution reactions.
About Co2Hf2O6
Co2Hf2O6 is a complex oxide material that functions as a semiconductor. As a member of the oxygen-evolution catalyst class, it is studied for its potential to facilitate electrochemical reactions, specifically the splitting of water into oxygen and hydrogen components.
Despite its metastable nature, the compound has garnered interest due to the diverse structural configurations it can adopt. Its electronic properties make it a subject of ongoing research for sustainable energy technologies where efficient catalytic surfaces are required.
Key Properties
Cross-validated computational properties for Co2Hf2O6, 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 Co2Hf2O6, 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 | 2.52 | 0.0949 | -9.213 | 8.25 |
| — | — | — | — | — | 6.41 |
| R3c (No. 161) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
Applications
Where Co2Hf2O6 is used.
Frequently Asked Questions
Common questions about Co2Hf2O6, answered from cross-validated data.
What is Co2Hf2O6?
Co2Hf2O6 is a semiconducting cobalt-hafnium oxide that is being researched for its catalytic activity in oxygen-evolution reactions.
What is Co2Hf2O6 used for?
What is the band gap of Co2Hf2O6?
Is Co2Hf2O6 a metal, semiconductor, or insulator?
Is Co2Hf2O6 thermodynamically stable?
What is the crystal structure of Co2Hf2O6?
What is the density of Co2Hf2O6?
How many polymorphs of Co2Hf2O6 are known?
What elements does Co2Hf2O6 contain?
Where does the data for Co2Hf2O6 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader class of oxygen-evolution catalysts, Co2Hf2O6 occupies a unique niche compared to more traditional, highly stable transition metal oxides like LiCoO2 or NiO. While many of its siblings are well-established battery cathode materials or perovskite-based catalysts, this cobalt-hafnium oxide represents a more specialized, metastable phase that offers a distinct structural alternative for catalytic surface design.
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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