HAuO2
Gold(III) hydroxide · Auric hydroxide
Gold(III) hydroxide is a chemical compound containing gold in an oxidized state. It is primarily utilized as a precursor for the synthesis of other gold-based compounds and as a catalyst in various chemical processes.
AuHO
Overview
Key Properties
Cross-validated computational properties for Gold(III) 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.
0.88–1.29 eV
Range across DFT structures
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.
0.011 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
4 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HAuO2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.88 | 0.0114 | -4.896 | 8.21 |
| Pmn21 (No. 31) | orthorhombic | 1.29 | 0.0262 | -4.881 | 7.32 |
| C2/m (No. 12) | monoclinic | 1.28 | 0.0312 | -4.876 | 6.97 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 10.45 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 7.18 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 8.57 |
| Pmmm (No. 47) | — | — | — | — | — |
| Pmn21 (No. 31) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where Gold(III) hydroxide is used.
Chemical synthesis precursorCatalysisElectroplatingGold-based material research
Reference
Frequently Asked Questions
Common questions about Gold(III) hydroxide, answered from cross-validated data.
What is HAuO2?
Gold(III) hydroxide is a chemical compound containing gold in an oxidized state. It is primarily utilized as a precursor for the synthesis of other gold-based compounds and as a catalyst in various chemical processes.
More questions
What is HAuO2 used for?
Gold(III) hydroxide (HAuO2) is used in chemical synthesis precursor, catalysis, electroplating, and gold-based material research.
What is the band gap of HAuO2?
Gold(III) hydroxide (HAuO2) has a DFT-computed band gap of 0.88–1.29 eV across 13 reported structures.
Is HAuO2 a metal, semiconductor, or insulator?
With a band gap up to 1.29 eV it is a semiconductor.
Is HAuO2 thermodynamically stable?
Gold(III) hydroxide (HAuO2) has a lowest energy above hull of 0.011 eV/atom (near hull (likely stable)).
What is the crystal structure of HAuO2?
The lowest-energy reported polymorph of Gold(III) hydroxide (HAuO2) is triclinic symmetry, space group P-1 (No. 2).
What is the density of HAuO2?
The computed density of the ground-state structure of Gold(III) hydroxide (HAuO2) is 8.21 g/cm³.
How many polymorphs of HAuO2 are known?
13 structures of HAuO2 are reported across 4 databases, spanning 7 distinct space groups.
What elements does HAuO2 contain?
Gold(III) hydroxide (HAuO2) contains Au, H, and O (3 elements).
Where does the data for HAuO2 come from?
HAuO2 data is cross-referenced from materials_project, mpaloe, jarvis, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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