Cr4Er4O12
Cr4Er4O12 is a thermodynamically stable, semiconducting spinel oxide used in advanced catalytic research.
About Cr4Er4O12
Cr4Er4O12 is a structurally distinct spinel oxide that occupies a stable position on the thermodynamic convex hull. As a semiconducting material, it offers unique electronic properties that are highly valued in the development of sophisticated catalytic systems. Its ability to maintain structural integrity makes it a reliable candidate for complex chemical transformations where stability is paramount. The compound is primarily studied for its potential in specialized catalytic environments where its specific electronic configuration can be leveraged to optimize reaction pathways. By integrating rare-earth elements into a spinel framework, it bridges the gap between traditional transition metal oxides and more complex functional materials.
Key Properties
Cross-validated computational properties for Cr4Er4O12, 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 Cr4Er4O12, 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 | 0.26 | 0.0000 | -9.050 | 8.26 |
| — | — | — | — | — | 7.91 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Cr4Er4O12 is used.
Frequently Asked Questions
Common questions about Cr4Er4O12, answered from cross-validated data.
What is Cr4Er4O12?
Cr4Er4O12 is a thermodynamically stable, semiconducting spinel oxide used in advanced catalytic research.
What is Cr4Er4O12 used for?
What is the band gap of Cr4Er4O12?
Is Cr4Er4O12 a metal, semiconductor, or insulator?
Is Cr4Er4O12 thermodynamically stable?
What is the crystal structure of Cr4Er4O12?
What is the density of Cr4Er4O12?
How many polymorphs of Cr4Er4O12 are known?
What elements does Cr4Er4O12 contain?
Where does the data for Cr4Er4O12 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse landscape of spinel and transition metal oxides, Cr4Er4O12 stands out for its thermodynamic stability compared to simpler binary oxides like NiO or ZnO. While common spinel structures such as MgAl2O4 are frequently utilized for their mechanical robustness, Cr4Er4O12 offers a more specialized electronic profile, positioning it as a distinct alternative to the perovskite-structured catalysts like LaMnO3 or LaNiO3 in high-performance catalytic applications.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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