Y3AlO6
Y3AlO6 is a wide-band-gap insulating oxide that shows promise as a stable, synthesizable material for specialized catalytic applications.
About Y3AlO6
Y3AlO6 is a complex oxide belonging to the spinel-related family, characterized by its wide-band-gap insulating electronic structure. This material is recognized for its potential utility in catalytic processes where high-temperature stability and specific surface reactivity are required.
As a near-hull stable compound, Y3AlO6 is considered a viable candidate for experimental synthesis and practical application. Its structural versatility, supported by multiple reported configurations, positions it as an intriguing subject for researchers exploring oxide-based functional materials.
Key Properties
Cross-validated computational properties for Y3AlO6, 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 Y3AlO6, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 4.60 | 0.0186 | -9.120 | 4.97 |
| R-3 (No. 148) | trigonal | 4.73 | 0.0521 | -9.086 | 4.82 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.82 |
| R-3 (No. 148) | Trigonal | — | — | — | 5.11 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.96 |
| Cmc21 (No. 36) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.83 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 5.10 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.95 |
Applications
Where Y3AlO6 is used.
Frequently Asked Questions
Common questions about Y3AlO6, answered from cross-validated data.
What is Y3AlO6?
Y3AlO6 is a wide-band-gap insulating oxide that shows promise as a stable, synthesizable material for specialized catalytic applications.
What is Y3AlO6 used for?
What is the band gap of Y3AlO6?
Is Y3AlO6 a metal, semiconductor, or insulator?
Is Y3AlO6 thermodynamically stable?
What is the crystal structure of Y3AlO6?
What is the density of Y3AlO6?
How many polymorphs of Y3AlO6 are known?
What elements does Y3AlO6 contain?
Where does the data for Y3AlO6 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike more common transition metal-based catalysts such as CuO or NiO, which are often valued for their redox activity, Y3AlO6 functions primarily as a wide-gap insulator, placing it in a distinct category compared to metallic or semi-conducting oxides like LaNiO3. It shares structural relevance with MgAl2O4, yet its unique yttrium-rich composition offers different catalytic surface properties compared to the more traditional aluminates.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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