AlAgO3
AlAgO3 is a semimetallic ternary oxide that functions as a metastable member of the spinel-related catalyst family.
About AlAgO3
AlAgO3 is a complex oxide belonging to the spinel-related family, characterized by a unique electronic structure that places it in the semimetallic regime. Its composition of silver, aluminum, and oxygen suggests a material with potential for specialized catalytic activity, though its position above the thermodynamic hull indicates it is a metastable phase requiring precise synthesis conditions.
Because of its structural complexity, this compound is a subject of interest for researchers mapping the stability limits of ternary oxides. Its role as a semimetallic catalyst distinguishes it from more traditional insulating or semiconducting oxides, making it a target for studies focused on electronic-driven surface reactions.
Key Properties
Cross-validated computational properties for AlAgO3, 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 AlAgO3, 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 | 0.06 | 0.1395 | -6.048 | 4.90 |
| Pnma (No. 62) | orthorhombic | 0.03 | 0.1630 | -6.024 | 5.11 |
| P63cm (No. 185) | hexagonal | 0.05 | 0.2797 | -5.907 | 5.30 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2856 | -5.901 | 5.75 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.5197 | -5.667 | 5.21 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.6498 | -4.537 | 4.73 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.90 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.28 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.11 |
Applications
Where AlAgO3 is used.
Frequently Asked Questions
Common questions about AlAgO3, answered from cross-validated data.
What is AlAgO3?
AlAgO3 is a semimetallic ternary oxide that functions as a metastable member of the spinel-related catalyst family.
What is AlAgO3 used for?
What is the band gap of AlAgO3?
Is AlAgO3 a metal, semiconductor, or insulator?
Is AlAgO3 thermodynamically stable?
What is the crystal structure of AlAgO3?
What is the density of AlAgO3?
How many polymorphs of AlAgO3 are known?
What elements does AlAgO3 contain?
Where does the data for AlAgO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized MgAl2O4 or the robust Al2O3, AlAgO3 exists in a metastable state that makes it more challenging to synthesize and characterize. While transition metal oxides like NiO and CuO are well-established as stable catalysts, AlAgO3 offers a different electronic profile that contrasts with the insulating nature of LaAlO3, positioning it as a distinct, albeit less conventional, member of the oxide catalyst class.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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