AlCoO2
AlCoO2 is a metastable, semimetallic oxide material being investigated for its potential utility in oxygen-evolution catalytic processes.
About AlCoO2
AlCoO2 is a complex oxide characterized by its near-zero-gap electronic structure, placing it in the semimetallic regime. As a metastable material, it represents a specialized candidate within the broader family of oxygen-evolution catalysts, where electronic conductivity and surface stability are critical for catalytic performance.
This compound is of significant interest to researchers investigating non-traditional oxide catalysts. Its unique composition allows for structural and electronic tuning, making it a subject of study for potential applications in electrochemical energy conversion and storage technologies.
Key Properties
Cross-validated computational properties for AlCoO2, 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 AlCoO2, 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 | 0.00 | 0.0319 | -7.456 | 4.88 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0654 | -7.204 | 4.73 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.1344 | -7.354 | 4.85 |
| P-1 (No. 2) | triclinic | 0.04 | 0.3405 | -7.148 | 5.16 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.3734 | -7.115 | 5.21 |
| — | — | — | — | — | 5.36 |
| P1 (No. 1) | Triclinic | — | — | — | 4.16 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.06 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.81 |
Applications
Where AlCoO2 is used.
Frequently Asked Questions
Common questions about AlCoO2, answered from cross-validated data.
What is AlCoO2?
AlCoO2 is a metastable, semimetallic oxide material being investigated for its potential utility in oxygen-evolution catalytic processes.
What is AlCoO2 used for?
What is the band gap of AlCoO2?
Is AlCoO2 a metal, semiconductor, or insulator?
Is AlCoO2 thermodynamically stable?
What is the crystal structure of AlCoO2?
What is the density of AlCoO2?
How many polymorphs of AlCoO2 are known?
What elements does AlCoO2 contain?
Where does the data for AlCoO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly stable and widely utilized LiCoO2 or the perovskite-based LaMnO3, AlCoO2 exists in a metastable state that presents distinct challenges and opportunities for synthesis. While many members of this class, such as NiO or LiMn2O4, are optimized for specific battery or catalytic roles, AlCoO2 is distinguished by its semimetallic character, which differentiates it from the typical insulating or semiconducting behavior found in many other transition 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
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