CuHO2
Copper(II) hydroxide · Cupric hydroxide
Copper(II) hydroxide is a pale blue inorganic compound that occurs as a stable solid. It is widely utilized as a pigment, a mordant in textile dyeing, and a key component in various agricultural fungicides and wood preservatives.
CuHO
Overview
Key Properties
Cross-validated computational properties for Copper(II) hydroxide, aggregated across 3 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.
0.23–0.57 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.
0.021 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
15
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CuHO2, 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. |
|---|---|---|---|---|---|
| Pmn21 (No. 31) | orthorhombic | 0.23 | 0.0213 | -5.339 | 4.72 |
| C2/m (No. 12) | monoclinic | 0.57 | 0.0303 | -5.330 | 4.41 |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.0551 | -5.305 | 4.49 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.49 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.74 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.61 |
| Cmc21 (No. 36) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 6.04 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.37 |
| Pmn21 (No. 31) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.25 |
Uses
Applications
Where Copper(II) hydroxide is used.
Agricultural fungicidePigment productionTextile mordantWood preservativeCatalyst in organic synthesis
Reference
Frequently Asked Questions
Common questions about Copper(II) hydroxide, answered from cross-validated data.
What is CuHO2?
Copper(II) hydroxide is a pale blue inorganic compound that occurs as a stable solid. It is widely utilized as a pigment, a mordant in textile dyeing, and a key component in various agricultural fungicides and wood preservatives.
More questions
What is CuHO2 used for?
Copper(II) hydroxide (CuHO2) is used in agricultural fungicide, pigment production, textile mordant, wood preservative, and catalyst in organic synthesis.
What is the band gap of CuHO2?
Copper(II) hydroxide (CuHO2) has a DFT-computed band gap of 0.23–0.57 eV across 15 reported structures.
Is CuHO2 a metal, semiconductor, or insulator?
With a band gap up to 0.57 eV it is a semiconductor.
Is CuHO2 thermodynamically stable?
Copper(II) hydroxide (CuHO2) has a lowest energy above hull of 0.021 eV/atom (near hull (likely stable)).
What is the crystal structure of CuHO2?
The lowest-energy reported polymorph of Copper(II) hydroxide (CuHO2) is orthorhombic symmetry, space group Pmn21 (No. 31).
What is the density of CuHO2?
The computed density of the ground-state structure of Copper(II) hydroxide (CuHO2) is 4.72 g/cm³.
How many polymorphs of CuHO2 are known?
15 structures of CuHO2 are reported across 3 databases, spanning 5 distinct space groups.
What elements does CuHO2 contain?
Copper(II) hydroxide (CuHO2) contains Cu, H, and O (3 elements).
Where does the data for CuHO2 come from?
CuHO2 data is cross-referenced from materials_project, mpaloe, jarvis.
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).
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