La3AlO6
La3AlO6 is a thermodynamically stable, wide-gap insulating oxide that serves as a specialized structural component within the field of spinel-related catalytic materials.
About La3AlO6
La3AlO6 is a complex oxide characterized by its insulating electronic nature and proximity to the thermodynamic stability hull. As a member of the broader oxide catalyst family, it represents a structurally interesting material that is considered highly synthesizable for experimental research.
This compound is primarily studied for its structural properties and potential utility in catalytic processes where wide-gap insulators are required. Its existence across multiple databases highlights its significance as a target for materials discovery within the lanthanum-aluminum-oxygen system.
Key Properties
Cross-validated computational properties for La3AlO6, 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 La3AlO6, 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 | 4.20 | 0.0201 | -8.616 | 5.79 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 5.70 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 5.87 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 5.78 |
| Cmc21 (No. 36) | — | — | — | — | — |
Applications
Where La3AlO6 is used.
Frequently Asked Questions
Common questions about La3AlO6, answered from cross-validated data.
What is La3AlO6?
La3AlO6 is a thermodynamically stable, wide-gap insulating oxide that serves as a specialized structural component within the field of spinel-related catalytic materials.
What is La3AlO6 used for?
What is the band gap of La3AlO6?
Is La3AlO6 a metal, semiconductor, or insulator?
Is La3AlO6 thermodynamically stable?
What is the crystal structure of La3AlO6?
What is the density of La3AlO6?
How many polymorphs of La3AlO6 are known?
What elements does La3AlO6 contain?
Where does the data for La3AlO6 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly conductive or redox-active members of its class like LaNiO3 or LaMnO3, La3AlO6 functions as a stable, wide-gap insulator. While it shares structural similarities with the robust MgAl2O4 spinel framework, it occupies a distinct niche compared to transition-metal-rich oxides like CuO or NiO, which are typically favored for their active electronic states in catalysis.
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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