Cr4Nd4O12
Cr4Nd4O12 is a stable, semiconducting oxide material utilized primarily in catalytic research and advanced materials science.
About Cr4Nd4O12
Cr4Nd4O12 is a complex oxide belonging to the spinel-related family, characterized by its robust thermodynamic stability on the convex hull. As a semiconducting material, it offers unique electronic properties that facilitate charge transfer processes essential for catalytic performance in various chemical environments. Its structural integrity across multiple reported configurations makes it a reliable candidate for high-performance material studies.
This compound is primarily investigated for its potential in heterogeneous catalysis, where its specific atomic arrangement and electronic state play a critical role in reaction efficiency. By leveraging the interplay between the chromium and neodymium centers, researchers utilize this material to explore advanced pathways in oxidative processes and environmental remediation technologies.
Key Properties
Cross-validated computational properties for Cr4Nd4O12, 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 Cr4Nd4O12, 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 | 2.54 | 0.0000 | -8.995 | 7.01 |
| Pm-3m (No. 221) | cubic | 1.90 | 0.1431 | -8.852 | 6.83 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 6.71 |
Applications
Where Cr4Nd4O12 is used.
Frequently Asked Questions
Common questions about Cr4Nd4O12, answered from cross-validated data.
What is Cr4Nd4O12?
Cr4Nd4O12 is a stable, semiconducting oxide material utilized primarily in catalytic research and advanced materials science.
What is Cr4Nd4O12 used for?
What is the band gap of Cr4Nd4O12?
Is Cr4Nd4O12 a metal, semiconductor, or insulator?
Is Cr4Nd4O12 thermodynamically stable?
What is the crystal structure of Cr4Nd4O12?
What is the density of Cr4Nd4O12?
How many polymorphs of Cr4Nd4O12 are known?
What elements does Cr4Nd4O12 contain?
Where does the data for Cr4Nd4O12 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse class of spinel and related oxides, Cr4Nd4O12 occupies a niche position compared to simpler binary oxides like NiO or ZnO. While materials such as MgAl2O4 are frequently employed for their structural stability, Cr4Nd4O12 provides a more complex electronic environment, bridging the gap between basic structural oxides and more specialized perovskite-like catalysts such as LaMnO3.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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