AlHO

AlHO is a wide-band-gap insulating compound containing aluminum, hydrogen, and oxygen that is predicted to be synthesizable.

AlHO
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for AlHO, aggregated across 3 databases.

Band Gap

3.83–5.81 eV
Range across DFT structures

Energy Above Hull

0.021 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

52
3 databases, 14 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for AlHO, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic5.010.0212-6.1543.15
P1 (No. 1)triclinic4.960.0252-6.1503.15
P1 (No. 1)triclinic5.060.0270-6.1483.14
P21/c (No. 14)monoclinic4.990.0276-6.1483.16
P1 (No. 1)triclinic5.040.0280-6.1473.15
P212121 (No. 19)orthorhombic5.810.0290-6.1463.61
P1 (No. 1)triclinic4.980.0292-6.1463.15
P21/c (No. 14)monoclinic5.200.0306-6.1453.19
P21/c (No. 14)monoclinic5.220.0341-6.1413.21
P-1 (No. 2)triclinic4.930.0342-6.1413.14
P1 (No. 1)triclinic4.940.0346-6.1413.11
P1 (No. 1)triclinic4.910.0351-6.1403.13
Reference

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.

More questions
What is the band gap of AlHO?
AlHO has a DFT-computed band gap of 3.83–5.81 eV across 52 reported structures.
Is AlHO a metal, semiconductor, or insulator?
With a wide band gap up to 5.81 eV it is an insulator / wide-band-gap material.
Is AlHO thermodynamically stable?
AlHO has a lowest energy above hull of 0.021 eV/atom (near hull (likely stable)).
What is the crystal structure of AlHO?
The lowest-energy reported polymorph of AlHO is monoclinic symmetry, space group P21/c (No. 14).
What is the density of AlHO?
The computed density of the ground-state structure of AlHO is 3.15 g/cm³.
How many polymorphs of AlHO are known?
52 structures of AlHO are reported across 3 databases, spanning 14 distinct space groups.
What elements does AlHO contain?
AlHO contains Al, H, and O (3 elements).
Where does the data for AlHO come from?
AlHO data is cross-referenced from materials_project.
Comparison

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
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).

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