Al20O48Y12
Al20O48Y12 is a thermodynamically stable, insulating yttrium aluminum oxide used in the study of advanced catalytic materials.
About Al20O48Y12
Al20O48Y12 is a complex yttrium aluminum oxide that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. As a wide-band-gap insulating material, it serves as a specialized component within the broader family of spinel-related oxide catalysts.
Its structural complexity and stability make it a subject of interest for researchers investigating high-performance ceramic catalysts. By leveraging its unique electronic character, this compound contributes to the development of durable, non-conductive catalytic frameworks for demanding chemical environments.
Key Properties
Cross-validated computational properties for Al20O48Y12, aggregated across 2 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 Al20O48Y12, 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. |
|---|---|---|---|---|---|
| Ia-3d (No. 230) | cubic | 4.58 | 0.0000 | -8.557 | 4.56 |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
Applications
Where Al20O48Y12 is used.
Frequently Asked Questions
Common questions about Al20O48Y12, answered from cross-validated data.
What is Al20O48Y12?
Al20O48Y12 is a thermodynamically stable, insulating yttrium aluminum oxide used in the study of advanced catalytic materials.
What is Al20O48Y12 used for?
What is the band gap of Al20O48Y12?
Is Al20O48Y12 a metal, semiconductor, or insulator?
Is Al20O48Y12 thermodynamically stable?
What is the crystal structure of Al20O48Y12?
What is the density of Al20O48Y12?
How many polymorphs of Al20O48Y12 are known?
What elements does Al20O48Y12 contain?
Where does the data for Al20O48Y12 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the transition metal-based spinel catalysts such as CuO or NiO, which are often valued for their redox-active electronic properties, Al20O48Y12 functions as a wide-gap insulator. It shares more structural commonalities with stable aluminates like MgAl2O4 or LaAlO3, prioritizing thermal and chemical stability over the high electrical conductivity found in perovskite-structured siblings like LaNiO3.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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