ZnNi4O5
ZnNi4O5 is a metastable semiconducting oxide utilized in the field of oxygen-evolution catalysis.
About ZnNi4O5
ZnNi4O5 is a semiconducting oxide that functions as a specialized oxygen-evolution catalyst. Its metastable nature suggests a complex synthesis landscape, making it an intriguing candidate for researchers exploring non-equilibrium phases in electrochemical energy conversion.
As a member of the transition metal oxide family, this compound leverages its electronic properties to facilitate critical redox reactions. Its existence within multiple structural databases highlights its potential utility in advanced catalytic applications where specific surface coordination environments are required.
Key Properties
Cross-validated computational properties for ZnNi4O5, 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 ZnNi4O5, 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 | 0.00 | 0.0418 | -6.203 | 6.59 |
| Immm (No. 71) | orthorhombic | 0.00 | 0.0487 | -6.196 | 6.59 |
| I4/m (No. 87) | tetragonal | 0.00 | 0.0489 | -6.196 | 6.57 |
| C2/m (No. 12) | monoclinic | 2.06 | 0.0573 | -6.187 | 6.59 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0576 | -6.187 | 6.60 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.81 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.59 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.59 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.97 |
| C2/m (No. 12) | — | — | — | — | — |
| Immm (No. 71) | Orthorhombic | — | — | — | 6.80 |
| Immm (No. 71) | Orthorhombic | — | — | — | 6.96 |
Applications
Where ZnNi4O5 is used.
Frequently Asked Questions
Common questions about ZnNi4O5, answered from cross-validated data.
What is ZnNi4O5?
ZnNi4O5 is a metastable semiconducting oxide utilized in the field of oxygen-evolution catalysis.
What is ZnNi4O5 used for?
What is the band gap of ZnNi4O5?
Is ZnNi4O5 a metal, semiconductor, or insulator?
Is ZnNi4O5 thermodynamically stable?
What is the crystal structure of ZnNi4O5?
What is the density of ZnNi4O5?
How many polymorphs of ZnNi4O5 are known?
What elements does ZnNi4O5 contain?
Where does the data for ZnNi4O5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, ZnNi4O5 occupies a niche position compared to more conventional materials like NiO or the layered LiNiO2. While many of its siblings, such as LaNiO3 or LiCoO2, are widely characterized for their stable perovskite or layered structures, ZnNi4O5 represents a more complex, metastable phase that offers different surface reactivity profiles for catalytic optimization.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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