AlHO2
Boehmite · gamma-AlO(OH)
AlHO2 is a stable aluminum oxyhydroxide mineral widely used as a precursor for industrial alumina production and catalytic applications.
About Boehmite
AlHO2 is a naturally occurring aluminum oxyhydroxide that exists as a thermodynamically stable phase. Characterized by its wide-gap insulating electronic profile, it serves as a foundational material in mineralogy and materials science, often appearing as a primary component in bauxite ores.
Due to its structural versatility, this compound is extensively utilized in the synthesis of high-surface-area aluminas. Its ability to undergo controlled thermal transformation makes it indispensable for producing specialized catalysts, adsorbents, and ceramic additives that require precise morphological control.
Key Properties
Cross-validated computational properties for Boehmite, 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 AlHO2. 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.
Applications
Where Boehmite is used.
Frequently Asked Questions
Common questions about Boehmite, answered from cross-validated data.
What is AlHO2?
AlHO2 is a stable aluminum oxyhydroxide mineral widely used as a precursor for industrial alumina production and catalytic applications.
What is AlHO2 used for?
What is the band gap of AlHO2?
Is AlHO2 a metal, semiconductor, or insulator?
Is AlHO2 thermodynamically stable?
How many polymorphs of AlHO2 are known?
What elements does AlHO2 contain?
Where does the data for AlHO2 come from?
How It Compares
As a fundamental aluminum-based oxyhydroxide, AlHO2 occupies a unique position in materials science due to its high structural stability and prevalence in industrial processing, serving as a benchmark for the synthesis of advanced aluminum-based functional materials.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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