Cr4OF11
Cr4OF11 is a metastable, semiconducting spinel-type oxide-fluoride compound primarily investigated for its unique catalytic properties.
About Cr4OF11
Cr4OF11 is a complex, metastable compound categorized within the broader family of spinel oxide catalysts. Its semiconducting electronic character makes it an intriguing candidate for specialized research into charge-transfer processes and surface-active catalytic pathways. Given its structural complexity, it represents a niche but significant area of study for materials scientists investigating non-traditional oxide-fluoride frameworks.
This material is primarily of interest for its potential in high-performance catalytic environments where standard oxides may not provide the necessary electronic tuning. Its metastable nature suggests that it can be synthesized under specific conditions to stabilize its unique coordination environment, offering a distinct alternative to more conventional, highly stable spinel structures.
Key Properties
Cross-validated computational properties for Cr4OF11, 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 Cr4OF11, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.00 | 0.0358 | -6.919 | 3.60 |
| C2 (No. 5) | monoclinic | 0.94 | 0.0358 | -6.919 | 3.61 |
| P-1 (No. 2) | triclinic | 0.92 | 0.0359 | -6.919 | 3.60 |
| P-1 (No. 2) | triclinic | 0.93 | 0.0359 | -6.919 | 3.96 |
| P1 (No. 1) | triclinic | 0.98 | 0.0360 | -6.919 | 3.62 |
| P1 (No. 1) | triclinic | 0.93 | 0.0360 | -6.919 | 3.58 |
| C2 (No. 5) | monoclinic | 0.71 | 0.0360 | -6.919 | 3.60 |
| P1 (No. 1) | triclinic | 0.84 | 0.0361 | -6.919 | 3.58 |
| P1 (No. 1) | triclinic | 0.88 | 0.0361 | -6.919 | 3.61 |
| P1 (No. 1) | triclinic | 0.91 | 0.0362 | -6.919 | 3.61 |
| P1 (No. 1) | triclinic | 0.94 | 0.0363 | -6.918 | 3.62 |
| P1 (No. 1) | triclinic | 0.92 | 0.0364 | -6.918 | 3.61 |
Applications
Where Cr4OF11 is used.
Frequently Asked Questions
Common questions about Cr4OF11, answered from cross-validated data.
What is Cr4OF11?
Cr4OF11 is a metastable, semiconducting spinel-type oxide-fluoride compound primarily investigated for its unique catalytic properties.
What is Cr4OF11 used for?
What is the band gap of Cr4OF11?
Is Cr4OF11 a metal, semiconductor, or insulator?
Is Cr4OF11 thermodynamically stable?
What is the crystal structure of Cr4OF11?
What is the density of Cr4OF11?
How many polymorphs of Cr4OF11 are known?
What elements does Cr4OF11 contain?
Where does the data for Cr4OF11 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized binary oxides such as ZnO or NiO, Cr4OF11 occupies a more specialized, metastable position within the spinel-related landscape. While compounds like MgAl2O4 serve as robust, inert structural foundations, Cr4OF11 is distinguished by its complex anionic composition and semiconducting behavior, which contrasts with the more predictable insulating or metallic properties found in the lanthanum-based perovskite siblings like LaAlO3 or LaNiO3.
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).
- mpaloe — Data from mpaloe.
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