AlO
AlO is a metallic aluminum oxide phase that exists in a metastable state and is studied for its unique electronic properties within the oxide catalyst family.
About AlO
AlO is a metallic aluminum oxide that occupies a distinct position within the broader family of spinel oxide catalysts. Despite its relatively simple composition, it exhibits complex electronic behavior characterized by a lack of a band gap, which differentiates it from the typical insulating oxides found in this material class.
Due to its position above the thermodynamic hull, AlO is considered a metastable phase. Its extensive documentation across multiple structural databases highlights its significance as a subject of fundamental research into the behavior of aluminum-oxygen systems under non-equilibrium conditions.
Key Properties
Cross-validated computational properties for AlO, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AlO. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for AlO, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 1.3033 | -5.899 | 3.18 |
| No. 0 | unknown | — | — | — | 0.29 |
| No. 0 | unknown | — | — | — | 0.28 |
| No. 0 | unknown | — | — | — | 0.26 |
| No. 0 | unknown | — | — | — | 0.28 |
| No. 0 | unknown | — | — | — | 0.28 |
| No. 0 | unknown | — | — | — | 0.29 |
| No. 0 | unknown | — | — | — | 0.28 |
| No. 0 | unknown | — | — | — | 0.28 |
| No. 0 | unknown | — | — | — | 0.28 |
| No. 0 | unknown | — | — | — | 0.29 |
| No. 0 | unknown | — | — | — | 0.28 |
Applications
Where AlO is used.
Frequently Asked Questions
Common questions about AlO, answered from cross-validated data.
What is AlO?
AlO is a metallic aluminum oxide phase that exists in a metastable state and is studied for its unique electronic properties within the oxide catalyst family.
What is AlO used for?
What is the band gap of AlO?
Is AlO a metal, semiconductor, or insulator?
Is AlO thermodynamically stable?
What is the crystal structure of AlO?
What is the density of AlO?
How many polymorphs of AlO are known?
What elements does AlO contain?
Where does the data for AlO come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized MgAl2O4 or the insulating Al2O3, AlO is a metallic phase that presents a more challenging synthesis profile. While transition metal-based siblings like LaNiO3 and LaMnO3 are frequently explored for their catalytic redox activity, AlO serves as a unique metallic outlier in the oxide landscape, offering a different electronic environment compared to the more conventional semiconducting oxides like NiO or 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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