Al2NiO4
nickel aluminum oxide · nickel aluminate
Al2NiO4 is a thermodynamically stable nickel aluminum oxide that functions as an insulating material within the field of oxygen-evolution catalysis.
About nickel aluminum oxide
Al2NiO4 is a thermodynamically stable oxide that occupies a position on the convex hull, indicating robust structural integrity. As a wide-band-gap insulator, it serves as a foundational material in the study of complex oxide systems and catalytic processes. Its unique electronic character makes it a subject of interest for researchers investigating the fundamental mechanisms of oxygen-evolution reactions. With numerous reported structures, this compound is well-documented in materials databases, providing a reliable baseline for computational and experimental studies. It is primarily utilized in advanced catalytic research, where its stable framework allows for the exploration of surface-active sites in oxygen-evolution environments.
Key Properties
Cross-validated computational properties for nickel aluminum oxide, 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 Al2NiO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 3.21 | 0.0000 | -7.526 | 4.53 |
| Cm (No. 8) | monoclinic | 3.22 | 0.0039 | -7.522 | 4.39 |
| Cm (No. 8) | monoclinic | 3.08 | 0.0046 | -7.521 | 4.38 |
| Cm (No. 8) | monoclinic | 3.08 | 0.0057 | -7.520 | 4.37 |
| Cm (No. 8) | monoclinic | 3.04 | 0.0089 | -7.517 | 4.38 |
| Cm (No. 8) | monoclinic | 3.08 | 0.0103 | -7.516 | 4.37 |
| Cm (No. 8) | monoclinic | 2.92 | 0.0125 | -7.514 | 4.37 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0222 | -7.504 | 4.30 |
| I41md (No. 109) | tetragonal | 3.60 | 0.0231 | -7.503 | 4.31 |
| Fd-3m (No. 227) | cubic | 3.39 | 0.0236 | -7.502 | 4.30 |
| Cc (No. 9) | monoclinic | 3.52 | 0.0239 | -7.502 | 4.30 |
| R-3m (No. 166) | trigonal | 3.64 | 0.0498 | -7.476 | 4.46 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Al2NiO4.
Applications
Where nickel aluminum oxide is used.
Frequently Asked Questions
Common questions about nickel aluminum oxide, answered from cross-validated data.
What is Al2NiO4?
Al2NiO4 is a thermodynamically stable nickel aluminum oxide that functions as an insulating material within the field of oxygen-evolution catalysis.
What is Al2NiO4 used for?
What is the band gap of Al2NiO4?
Is Al2NiO4 a metal, semiconductor, or insulator?
Is Al2NiO4 thermodynamically stable?
What is the crystal structure of Al2NiO4?
What is the density of Al2NiO4?
How many polymorphs of Al2NiO4 are known?
How is Al2NiO4 synthesized?
What elements does Al2NiO4 contain?
Where does the data for Al2NiO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxygen-evolution catalysts, Al2NiO4 is distinguished by its insulating nature compared to more conductive transition metal oxides like LaNiO3 or NiO. While many members of this class, such as LiCoO2 or LiMn2O4, are optimized for high-performance electrochemical cycling, Al2NiO4 offers a chemically stable, wide-gap alternative that serves as a critical reference point for understanding how structural composition influences catalytic performance in non-metallic electronic environments.
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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