Cu1Nd1O2
Cu1Nd1O2 is a stable, semiconducting oxide catalyst composed of copper, neodymium, and oxygen.
About Cu1Nd1O2
Cu1Nd1O2 is a thermodynamically stable oxide that sits on the convex hull, indicating significant structural robustness. As a semiconducting material within the broader family of complex oxides, it offers unique electronic properties that are highly sought after for surface-mediated chemical transformations.
This compound is primarily investigated for its role in catalytic processes where its specific electronic configuration facilitates efficient reaction pathways. Its stability makes it a compelling candidate for researchers aiming to develop durable materials for industrial and environmental catalysis.
Key Properties
Cross-validated computational properties for Cu1Nd1O2, 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 Cu1Nd1O2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 2.41 | 0.0000 | -7.302 | 5.79 |
| I41/a (No. 88) | tetragonal | 0.00 | 0.0000 | -6.703 | 8.60 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.11 |
Applications
Where Cu1Nd1O2 is used.
Frequently Asked Questions
Common questions about Cu1Nd1O2, answered from cross-validated data.
What is Cu1Nd1O2?
Cu1Nd1O2 is a stable, semiconducting oxide catalyst composed of copper, neodymium, and oxygen.
What is Cu1Nd1O2 used for?
What is the band gap of Cu1Nd1O2?
Is Cu1Nd1O2 a metal, semiconductor, or insulator?
Is Cu1Nd1O2 thermodynamically stable?
What is the crystal structure of Cu1Nd1O2?
What is the density of Cu1Nd1O2?
How many polymorphs of Cu1Nd1O2 are known?
What elements does Cu1Nd1O2 contain?
Where does the data for Cu1Nd1O2 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse class of oxide catalysts, Cu1Nd1O2 distinguishes itself from simpler binary oxides like CuO or ZnO by incorporating rare-earth elements into its lattice, which often tunes the electronic environment more effectively than traditional transition metal oxides. While materials like LaMnO3 or LaNiO3 are well-known for their perovskite-based catalytic activity, Cu1Nd1O2 provides a distinct structural alternative for exploring semiconducting behavior in complex oxide systems.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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