Zn3Co2O7
Zn3Co2O7 is a semimetallic, metastable mixed-metal oxide investigated for its potential utility in electrochemical oxygen-evolution reactions.
About Zn3Co2O7
Zn3Co2O7 is a complex oxide composed of zinc, cobalt, and oxygen, categorized within the family of oxygen-evolution catalysts. Its electronic structure is characterized as near-zero-gap, placing it in the semimetallic regime, which is a significant factor for charge transfer processes in catalytic applications. Due to its position above the thermodynamic hull, this material is considered metastable, representing a challenging synthetic target. Despite this, the existence of multiple reported structures across databases highlights its interest as a subject of investigation for advanced electrochemical systems.
Key Properties
Cross-validated computational properties for Zn3Co2O7, 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 Zn3Co2O7, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.03 | 0.1258 | -5.715 | 6.13 |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 6.13 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 6.56 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 6.37 |
Applications
Where Zn3Co2O7 is used.
Frequently Asked Questions
Common questions about Zn3Co2O7, answered from cross-validated data.
What is Zn3Co2O7?
Zn3Co2O7 is a semimetallic, metastable mixed-metal oxide investigated for its potential utility in electrochemical oxygen-evolution reactions.
What is Zn3Co2O7 used for?
What is the band gap of Zn3Co2O7?
Is Zn3Co2O7 a metal, semiconductor, or insulator?
Is Zn3Co2O7 thermodynamically stable?
What is the crystal structure of Zn3Co2O7?
What is the density of Zn3Co2O7?
How many polymorphs of Zn3Co2O7 are known?
What elements does Zn3Co2O7 contain?
Where does the data for Zn3Co2O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad class of oxygen-evolution catalysts, Zn3Co2O7 occupies a distinct niche compared to more conventional, highly stable perovskites like LaMnO3 or LaNiO3. While materials such as LiCoO2 and LiNiO2 are widely utilized for their robust performance in energy storage, Zn3Co2O7 remains a more experimental candidate, reflecting the ongoing search for non-precious metal catalysts that can overcome the stability limitations inherent in complex mixed-metal oxides.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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