AlHO
AlHO is a wide-band-gap insulating compound containing aluminum, hydrogen, and oxygen that is predicted to be synthesizable.
About AlHO
AlHO is an insulating compound composed of aluminum, hydrogen, and oxygen. As a wide-band-gap material, it exhibits electronic properties characteristic of highly stable dielectric substances, making it a subject of interest for fundamental materials research.
Because it sits near the thermodynamic hull, AlHO is considered a likely synthesizable phase. Its existence across multiple structural databases suggests a complex landscape of potential configurations that warrant further investigation for specialized applications.
Key Properties
Cross-validated computational properties for AlHO, aggregated across 2 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 AlHO. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (jarvis) reports a hull energy for AlHO, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for AlHO, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.5090 | -1.377 | — |
| Pm (No. 6) | monoclinic | 3.40 | 0.5945 | -1.292 | — |
| P-6m2 (No. 187) | hexagonal | 0.24 | 1.3182 | -0.568 | — |
| P1 (No. 1) | triclinic | — | — | — | 2.48 |
| P1 (No. 1) | triclinic | — | — | — | 1.48 |
| P-1 (No. 2) | triclinic | — | — | — | 1.36 |
| P-1 (No. 2) | triclinic | — | — | — | 2.60 |
| Pm (No. 6) | monoclinic | — | — | — | 2.63 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 1.32 |
| P-1 (No. 2) | triclinic | — | — | — | 2.63 |
| P-1 (No. 2) | triclinic | — | — | — | 2.65 |
| P21/m (No. 11) | monoclinic | — | — | — | 2.87 |
Frequently Asked Questions
Common questions about AlHO, answered from cross-validated data.
What is AlHO?
AlHO is a wide-band-gap insulating compound containing aluminum, hydrogen, and oxygen that is predicted to be synthesizable.
What is the band gap of AlHO?
Is AlHO a metal, semiconductor, or insulator?
Is AlHO thermodynamically stable?
What is the crystal structure of AlHO?
How many polymorphs of AlHO are known?
What elements does AlHO contain?
Where does the data for AlHO come from?
How It Compares
As an unclassified material, AlHO represents a unique structural candidate within its chemical system. Without direct siblings in this specific class, it stands as an independent subject of study for researchers exploring the boundaries of aluminum-based oxyhydrides.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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