Zn3Ni7O10
Zn3Ni7O10 is a metastable semiconducting oxide utilized in the development of advanced oxygen-evolution catalysts for electrochemical energy conversion.
About Zn3Ni7O10
Zn3Ni7O10 is a complex oxide categorized within the oxygen-evolution catalyst class. As a semiconducting material, it exhibits specific electronic properties that are critical for facilitating electrochemical reactions at the electrode-electrolyte interface. Its metastable nature suggests a high degree of structural sensitivity, making it a subject of interest for researchers exploring non-equilibrium phases in catalytic applications.
This material is primarily investigated for its potential to drive the oxygen evolution reaction, a key bottleneck in water splitting and energy storage technologies. By leveraging its unique stoichiometry and semiconducting character, it serves as a platform for studying how transition metal oxide arrangements influence catalytic efficiency and long-term stability under operating conditions.
Key Properties
Cross-validated computational properties for Zn3Ni7O10, 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 Zn3Ni7O10, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.75 | 0.0673 | -6.009 | 6.63 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 6.98 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.63 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.83 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Zn3Ni7O10 is used.
Frequently Asked Questions
Common questions about Zn3Ni7O10, answered from cross-validated data.
What is Zn3Ni7O10?
Zn3Ni7O10 is a metastable semiconducting oxide utilized in the development of advanced oxygen-evolution catalysts for electrochemical energy conversion.
What is Zn3Ni7O10 used for?
What is the band gap of Zn3Ni7O10?
Is Zn3Ni7O10 a metal, semiconductor, or insulator?
Is Zn3Ni7O10 thermodynamically stable?
What is the crystal structure of Zn3Ni7O10?
What is the density of Zn3Ni7O10?
How many polymorphs of Zn3Ni7O10 are known?
What elements does Zn3Ni7O10 contain?
Where does the data for Zn3Ni7O10 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad family of oxygen-evolution catalysts, Zn3Ni7O10 occupies a distinct niche compared to more conventional, highly stable oxides like NiO or the layered perovskite structures such as LaNiO3 and La2NiO4. While many members of this class are characterized by their robust thermodynamic stability, Zn3Ni7O10 stands out as a metastable phase, offering a different pathway for surface reactivity that contrasts with the well-documented performance of standard battery-related oxides like LiCoO2 or LiMn2O4.
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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