Co5NiO12
Co5NiO12 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis.
About Co5NiO12
Co5NiO12 is a complex semiconducting oxide that functions within the class of oxygen-evolution catalysts. Its unique composition of cobalt and nickel suggests a specialized role in facilitating electrochemical reactions where efficient oxygen production is required. As a metastable phase, this compound represents a challenging yet scientifically significant material for researchers. Its electronic character and structural arrangement are key to understanding how it interacts with catalytic surfaces during energy-related processes.
Key Properties
Cross-validated computational properties for Co5NiO12, 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 Co5NiO12. 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 Co5NiO12, 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/m (No. 12) | monoclinic | 1.14 | 0.0343 | -6.598 | 4.53 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0697 | -0.958 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 4.53 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.69 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.07 |
Applications
Where Co5NiO12 is used.
Frequently Asked Questions
Common questions about Co5NiO12, answered from cross-validated data.
What is Co5NiO12?
Co5NiO12 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis.
What is Co5NiO12 used for?
What is the band gap of Co5NiO12?
Is Co5NiO12 a metal, semiconductor, or insulator?
Is Co5NiO12 thermodynamically stable?
What is the crystal structure of Co5NiO12?
What is the density of Co5NiO12?
How many polymorphs of Co5NiO12 are known?
What elements does Co5NiO12 contain?
Where does the data for Co5NiO12 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide catalysts, Co5NiO12 occupies a distinct niche compared to more common, highly stable oxides like NiO or the layered lithium-based compounds such as LiCoO2 and LiNiO2. While many of its siblings are widely utilized in established battery technologies or stable catalytic frameworks, this specific cobalt-nickel oxide offers a different electronic profile that distinguishes it from the perovskite-structured members like LaNiO3 or LaMnO3.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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