CoNiO2
CoNiO2 is a stable, semiconducting oxide material utilized primarily as a catalyst for oxygen-evolution reactions in electrochemical systems.
About CoNiO2
CoNiO2 is a semiconducting oxide that sits on the convex hull, indicating high thermodynamic stability. This stability makes it a compelling candidate for electrochemical applications, particularly where structural integrity is required during prolonged operation. Its electronic character facilitates charge transfer, which is essential for its role in catalytic processes.
As a member of the oxide oxygen-evolution catalyst class, this material is studied for its ability to mediate the water-splitting reaction. By leveraging the synergistic effects of cobalt and nickel, it provides an alternative pathway for efficient oxygen production, contributing to the development of sustainable energy conversion technologies.
Key Properties
Cross-validated computational properties for CoNiO2, 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 CoNiO2. 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 CoNiO2, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.2502 | -6.697 | 6.48 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.3254 | -0.656 | — |
| — | — | 0.61 | 0.3719 | -0.876 | — |
| P21 (No. 4) | monoclinic | — | — | — | 6.37 |
| P21 (No. 4) | monoclinic | — | — | — | 6.31 |
| Cm (No. 8) | monoclinic | — | — | — | 5.97 |
Applications
Where CoNiO2 is used.
Patent Landscape
1 patent reference CoNiO2 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 11390535 | Co-current co-precipitation method of CoNiO2 thermistor powders | — | — |
Frequently Asked Questions
Common questions about CoNiO2, answered from cross-validated data.
What is CoNiO2?
CoNiO2 is a stable, semiconducting oxide material utilized primarily as a catalyst for oxygen-evolution reactions in electrochemical systems.
What is CoNiO2 used for?
What is the band gap of CoNiO2?
Is CoNiO2 a metal, semiconductor, or insulator?
Is CoNiO2 thermodynamically stable?
What is the crystal structure of CoNiO2?
What is the density of CoNiO2?
How many polymorphs of CoNiO2 are known?
What elements does CoNiO2 contain?
Where does the data for CoNiO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader family of transition metal oxides, CoNiO2 offers a distinct compositional balance compared to binary oxides like NiO or complex layered structures like LiCoO2. While many members of this class, such as LaNiO3 or LaMnO3, are primarily investigated for their magnetic or electronic transport properties, CoNiO2 is specifically optimized for its catalytic activity, bridging the gap between simple binary systems and more complex multi-component perovskites.
Related Compounds
Other Oxide Oxygen-Evolution 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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