CuCl
Cuprous chloride · Copper(I) chloride
Cuprous chloride is a white solid that serves as an important inorganic compound in industrial chemistry. It is primarily utilized as a catalyst for various organic synthesis reactions and as a precursor for other copper-containing materials.
Key Properties
Cross-validated computational properties for Cuprous chloride, 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.
Reported Structures
Lowest-energy structures reported for CuCl, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 0.56 | 0.0045 | -8.998 | 4.21 |
| F-43m (No. 216) | cubic | 0.56 | 0.0183 | -8.984 | 4.28 |
| P63mc (No. 186) | hexagonal | 0.57 | 0.0189 | -8.983 | 4.27 |
| Pa-3 (No. 205) | cubic | 0.45 | 0.0396 | -8.963 | 4.76 |
| Fm-3m (No. 225) | cubic | 0.33 | 0.1781 | -8.824 | 4.92 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.48 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pm (No. 6) | Monoclinic | — | — | — | 5.54 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.17 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.12 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.69 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.72 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CuCl.
Applications
Where Cuprous chloride is used.
Frequently Asked Questions
Common questions about Cuprous chloride, answered from cross-validated data.
What is CuCl?
Cuprous chloride is a white solid that serves as an important inorganic compound in industrial chemistry. It is primarily utilized as a catalyst for various organic synthesis reactions and as a precursor for other copper-containing materials.
What is CuCl used for?
What is the band gap of CuCl?
Is CuCl a metal, semiconductor, or insulator?
Is CuCl thermodynamically stable?
What is the crystal structure of CuCl?
What is the density of CuCl?
How many polymorphs of CuCl are known?
How is CuCl synthesized?
What elements does CuCl contain?
Where does the data for CuCl come from?
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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