La2CrO6
La2CrO6 is a stable, semiconducting lanthanum-chromium oxide used in research for advanced catalytic applications.
About La2CrO6
La2CrO6 is a complex oxide that sits firmly on the thermodynamic convex hull, indicating high stability. As a semiconducting member of the spinel-related oxide family, it possesses electronic characteristics that make it an intriguing candidate for catalytic processes requiring specific charge transport properties. Its structural versatility is evidenced by multiple reported configurations across major materials databases. This compound serves as a critical subject for researchers aiming to understand the interplay between lanthanum-based frameworks and transition metal activity. By leveraging its stable electronic structure, scientists can explore its potential in surface-mediated reactions where durability and controlled conductivity are paramount.
Key Properties
Cross-validated computational properties for La2CrO6, 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 La2CrO6, 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/c (No. 15) | monoclinic | 2.17 | 0.0000 | -8.492 | 5.53 |
| R-3 (No. 148) | trigonal | 0.84 | 0.2267 | -8.265 | 5.95 |
| R-3 (No. 148) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.39 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.71 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.49 |
Applications
Where La2CrO6 is used.
Frequently Asked Questions
Common questions about La2CrO6, answered from cross-validated data.
What is La2CrO6?
La2CrO6 is a stable, semiconducting lanthanum-chromium oxide used in research for advanced catalytic applications.
What is La2CrO6 used for?
What is the band gap of La2CrO6?
Is La2CrO6 a metal, semiconductor, or insulator?
Is La2CrO6 thermodynamically stable?
What is the crystal structure of La2CrO6?
What is the density of La2CrO6?
How many polymorphs of La2CrO6 are known?
What elements does La2CrO6 contain?
Where does the data for La2CrO6 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the broader class of spinel and perovskite-related oxides, La2CrO6 distinguishes itself from simpler binary oxides like NiO or ZnO by incorporating a rare-earth element that modifies its electronic landscape. While materials such as LaAlO3 are often utilized as insulating substrates, La2CrO6 offers a semiconducting profile that bridges the gap between traditional dielectric oxides and more conductive perovskites like LaNiO3, providing a unique platform for catalytic research.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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