GaHO2
gallium oxide hydroxide · gallium oxyhydroxide
GaHO2 is a stable gallium-based oxide hydroxide characterized by its wide-band-gap insulating nature.
About gallium oxide hydroxide
GaHO2 is a thermodynamically stable oxide hydroxide that functions primarily as a wide-band-gap insulator. Its structural integrity and electronic properties make it a subject of interest for researchers investigating the fundamental limits of transparent conducting materials.
Because it sits reliably on the convex hull, this compound serves as a robust candidate for material synthesis studies. It is frequently examined alongside other complex oxides to understand how hydrogen incorporation influences the electronic and optical behavior of gallium-based systems.
Key Properties
Cross-validated computational properties for gallium oxide hydroxide, 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 GaHO2. 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 GaHO2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.26 | 0.0000 | -5.978 | 5.20 |
| Pmn21 (No. 31) | orthorhombic | 3.00 | 0.0144 | -5.964 | 5.42 |
| Pnma (No. 62) | orthorhombic | 2.82 | 0.0650 | -5.913 | 4.31 |
| Fdd2 (No. 43) | orthorhombic | 1.81 | 0.2389 | -5.740 | 5.11 |
| Fdd2 (No. 43) | orthorhombic | 1.51 | 0.2399 | -5.738 | 5.13 |
| P1 (No. 1) | triclinic | 1.95 | 0.2618 | -5.717 | 5.08 |
| P1 (No. 1) | triclinic | 1.63 | 0.2672 | -5.711 | 5.13 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.11 |
| No. 0 | unknown | — | — | — | 1.30 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.28 |
| Pnma (No. 62) | — | — | — | — | — |
| Fdd2 (No. 43) | — | — | — | — | — |
Applications
Where gallium oxide hydroxide is used.
Frequently Asked Questions
Common questions about gallium oxide hydroxide, answered from cross-validated data.
What is GaHO2?
GaHO2 is a stable gallium-based oxide hydroxide characterized by its wide-band-gap insulating nature.
What is GaHO2 used for?
What is the band gap of GaHO2?
Is GaHO2 a metal, semiconductor, or insulator?
Is GaHO2 thermodynamically stable?
What is the crystal structure of GaHO2?
What is the density of GaHO2?
How many polymorphs of GaHO2 are known?
What elements does GaHO2 contain?
Where does the data for GaHO2 come from?
How It Compares
Within the transparent conducting oxides class.
Within the diverse group of transparent conducting oxides, GaHO2 occupies a distinct niche compared to more conductive counterparts like ZnO or BaSnO3. While materials such as ZnGa2O4 are widely recognized for their role in optoelectronics, GaHO2 provides a unique structural perspective on how hydroxide-containing lattices maintain stability compared to the simpler binary or ternary oxides in the class.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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