CuO3Sm
CuO3Sm is a thermodynamically stable, semiconducting oxide catalyst that utilizes samarium to enhance its performance in chemical synthesis.
About CuO3Sm
CuO3Sm is a semiconducting oxide that sits firmly on the convex hull, indicating exceptional thermodynamic stability. As a member of the spinel oxide catalyst family, it leverages the unique electronic interactions between copper, oxygen, and samarium to facilitate complex chemical transformations. Its structural integrity makes it a reliable candidate for high-performance catalytic applications where durability under reaction conditions is paramount. The material is currently a subject of interest for researchers looking to optimize surface reactivity in industrial processes. By balancing its semiconducting nature with a robust crystalline framework, it offers a distinct pathway for electron transfer during catalysis.
Key Properties
Cross-validated computational properties for CuO3Sm, 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 CuO3Sm, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.12 | 0.0000 | -7.144 | 7.38 |
| R-3c (No. 167) | trigonal | 0.00 | 0.0335 | -7.111 | 7.69 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1244 | -7.020 | 7.87 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where CuO3Sm is used.
Frequently Asked Questions
Common questions about CuO3Sm, answered from cross-validated data.
What is CuO3Sm?
CuO3Sm is a thermodynamically stable, semiconducting oxide catalyst that utilizes samarium to enhance its performance in chemical synthesis.
What is CuO3Sm used for?
What is the band gap of CuO3Sm?
Is CuO3Sm a metal, semiconductor, or insulator?
Is CuO3Sm thermodynamically stable?
What is the crystal structure of CuO3Sm?
What is the density of CuO3Sm?
How many polymorphs of CuO3Sm are known?
What elements does CuO3Sm contain?
Where does the data for CuO3Sm come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse landscape of spinel oxides and related binary oxides, CuO3Sm occupies a specialized niche compared to simpler systems like ZnO or NiO. While binary oxides such as CuO are frequently utilized for their straightforward redox properties, CuO3Sm incorporates samarium to tune its electronic environment, positioning it closer to the complex perovskite-like behavior seen in LaNiO3 or LaMnO3. This structural complexity allows it to provide more nuanced catalytic pathways than the standard MgAl2O4 spinel, making it a sophisticated alternative for targeted chemical synthesis.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
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