Al5HO8
Al5HO8 is a wide-gap insulating aluminum-based compound that is considered thermodynamically stable and a candidate for experimental synthesis.
About Al5HO8
Al5HO8 is an insulating aluminum-based compound characterized by a wide electronic band gap. Its status as a near-hull material suggests that it is thermodynamically stable enough to be a viable candidate for experimental synthesis and further characterization.
Given the multiple reported structures across various databases, this compound represents an intriguing area of study for researchers focused on aluminum-oxygen-hydrogen systems. Its electronic properties make it a potential candidate for applications requiring stable, insulating inorganic frameworks.
Key Properties
Cross-validated computational properties for Al5HO8, aggregated across 5 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 Al5HO8. 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 Al5HO8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 5.27 | 0.0053 | -3.071 | — |
| P63mc (No. 186) | hexagonal | 4.77 | 0.0079 | -7.605 | 3.73 |
| — | — | 4.03 | 0.2110 | -2.837 | — |
| P63mc (No. 186) | hexagonal | 4.33 | 0.2378 | -7.375 | 3.51 |
| P63mc (No. 186) | hexagonal | 4.76 | 0.2492 | -2.828 | — |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 3.64 |
| P63mc (No. 186) | hexagonal | — | — | — | 3.71 |
| P31c (No. 159) | trigonal | — | — | — | 3.64 |
| P63mc (No. 186) | hexagonal | — | — | — | 3.61 |
| P63mc (No. 186) | hexagonal | — | — | — | 3.64 |
| P63mc (No. 186) | hexagonal | — | — | — | 3.83 |
| P63mc (No. 186) | hexagonal | — | — | — | 3.72 |
Applications
Where Al5HO8 is used.
Frequently Asked Questions
Common questions about Al5HO8, answered from cross-validated data.
What is Al5HO8?
Al5HO8 is a wide-gap insulating aluminum-based compound that is considered thermodynamically stable and a candidate for experimental synthesis.
What is Al5HO8 used for?
What is the band gap of Al5HO8?
Is Al5HO8 a metal, semiconductor, or insulator?
Is Al5HO8 thermodynamically stable?
What is the crystal structure of Al5HO8?
How many polymorphs of Al5HO8 are known?
What elements does Al5HO8 contain?
Where does the data for Al5HO8 come from?
How It Compares
As a unique inorganic compound, Al5HO8 occupies a specialized niche within aluminum-based materials. While it lacks direct structural siblings in this context, its position near the thermodynamic hull highlights its potential as a stable, synthesizable phase compared to more elusive or highly unstable theoretical compounds.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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