CuClO2
CuClO2 is a semiconducting spinel oxide catalyst that is currently studied for its unique structural properties and metastable nature.
About CuClO2
CuClO2 is a semiconducting member of the spinel oxide catalyst family. Its complex structure and electronic properties make it a subject of interest for researchers investigating specialized catalytic mechanisms and electronic behavior in metal oxides. Due to its position above the thermodynamic hull, it is considered a metastable phase. The existence of multiple reported structures across various databases highlights its significance in fundamental materials science exploration.
Key Properties
Cross-validated computational properties for CuClO2, 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.
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 CuClO2, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 0.85 | 0.1795 | -4.479 | 2.92 |
| C2221 (No. 20) | orthorhombic | 0.66 | 0.1862 | -4.472 | 3.09 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.2072 | -4.451 | 3.17 |
| C2221 (No. 20) | Orthorhombic | — | — | — | 3.15 |
| C2221 (No. 20) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 2.97 |
| C2221 (No. 20) | Orthorhombic | — | — | — | 3.27 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.99 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.35 |
| C2221 (No. 20) | Orthorhombic | — | — | — | 3.09 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.92 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.73 |
Applications
Where CuClO2 is used.
Frequently Asked Questions
Common questions about CuClO2, answered from cross-validated data.
What is CuClO2?
CuClO2 is a semiconducting spinel oxide catalyst that is currently studied for its unique structural properties and metastable nature.
What is CuClO2 used for?
What is the band gap of CuClO2?
Is CuClO2 a metal, semiconductor, or insulator?
Is CuClO2 thermodynamically stable?
What is the crystal structure of CuClO2?
What is the density of CuClO2?
How many polymorphs of CuClO2 are known?
What elements does CuClO2 contain?
Where does the data for CuClO2 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized binary oxides such as CuO, NiO, and ZnO, or the robust ternary spinel MgAl2O4, CuClO2 represents a more elusive and structurally complex phase. While compounds like LaMnO3 and LaNiO3 are well-characterized for their catalytic and magnetic properties, CuClO2 occupies a more niche space in the research landscape, serving as a challenging target for synthesis due to its inherent thermodynamic instability.
Related Compounds
Other Spinel Oxide Catalysts 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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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