AlDyO3
AlDyO3 is a stable, insulating oxide material composed of aluminum, dysprosium, and oxygen that is being explored for specialized catalytic applications.
About AlDyO3
AlDyO3 is an insulating oxide that occupies a promising position near the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis. As a member of the broader oxide catalyst family, it leverages the unique electronic properties of rare-earth dysprosium combined with aluminum to form a stable lattice structure.
This compound is primarily investigated for its role in catalytic processes where wide-gap electronic characteristics are beneficial. Its structural versatility, supported by multiple reported configurations, makes it an interesting subject for researchers aiming to tune surface activity and chemical stability in complex oxide systems.
Key Properties
Cross-validated computational properties for AlDyO3, 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 AlDyO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 5.72 | 0.0128 | -8.388 | 7.80 |
| R-3c (No. 167) | trigonal | 5.17 | 0.0408 | -8.360 | 7.61 |
| Pm-3m (No. 221) | cubic | 2.95 | 0.1417 | -8.259 | 7.71 |
| — | — | — | — | — | 7.63 |
| — | — | — | — | — | — |
Applications
Where AlDyO3 is used.
Frequently Asked Questions
Common questions about AlDyO3, answered from cross-validated data.
What is AlDyO3?
AlDyO3 is a stable, insulating oxide material composed of aluminum, dysprosium, and oxygen that is being explored for specialized catalytic applications.
What is AlDyO3 used for?
What is the band gap of AlDyO3?
Is AlDyO3 a metal, semiconductor, or insulator?
Is AlDyO3 thermodynamically stable?
What is the crystal structure of AlDyO3?
What is the density of AlDyO3?
How many polymorphs of AlDyO3 are known?
What elements does AlDyO3 contain?
Where does the data for AlDyO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly conductive or transition-metal-rich members of its class like LaNiO3 or LaMnO3, AlDyO3 functions as a wide-gap insulator. While it shares structural similarities with the perovskite-like LaAlO3, its inclusion of dysprosium differentiates its chemical potential, positioning it as a distinct alternative to more common spinel-based catalysts such as MgAl2O4 or simple oxides like ZnO.
Related Compounds
Other Spinel Oxide 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).
- alexandria — Data from alexandria.
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