ZnNi9O10
This complex oxide is a mixed-metal material containing zinc and nickel. It is primarily investigated for its electrochemical properties and potential utility in advanced energy storage or catalytic systems.
Overview
Key Properties
Cross-validated computational properties for ZnNi9O10, 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.
2.10–2.38 eV
Range across DFT structures
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.
0.047 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for ZnNi9O10, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.10 | 0.0471 | -6.366 | 6.56 |
| P-1 (No. 2) | triclinic | 2.38 | 0.0473 | -6.366 | 6.56 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.56 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.95 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.78 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 6.56 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.95 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.78 |
Uses
Applications
Where ZnNi9O10 is used.
Electrochemical energy storage researchCatalysisMaterials science research
Reference
Frequently Asked Questions
Common questions about ZnNi9O10, answered from cross-validated data.
What is ZnNi9O10?
This complex oxide is a mixed-metal material containing zinc and nickel. It is primarily investigated for its electrochemical properties and potential utility in advanced energy storage or catalytic systems.
More questions
What is ZnNi9O10 used for?
ZnNi9O10 is used in electrochemical energy storage research, catalysis, and materials science research.
What is the band gap of ZnNi9O10?
ZnNi9O10 has a DFT-computed band gap of 2.10–2.38 eV across 9 reported structures.
Is ZnNi9O10 a metal, semiconductor, or insulator?
With a band gap up to 2.38 eV it is a semiconductor.
Is ZnNi9O10 thermodynamically stable?
ZnNi9O10 has a lowest energy above hull of 0.047 eV/atom (metastable).
What is the crystal structure of ZnNi9O10?
The lowest-energy reported polymorph of ZnNi9O10 is triclinic symmetry, space group P-1 (No. 2).
What is the density of ZnNi9O10?
The computed density of the ground-state structure of ZnNi9O10 is 6.56 g/cm³.
How many polymorphs of ZnNi9O10 are known?
9 structures of ZnNi9O10 are reported across 3 databases, spanning 1 distinct space group.
What elements does ZnNi9O10 contain?
ZnNi9O10 contains Ni, O, and Zn (3 elements).
Where does the data for ZnNi9O10 come from?
ZnNi9O10 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
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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