Co6OF11
This compound is a complex inorganic material containing cobalt, oxygen, and fluorine. It is primarily studied in academic research settings to understand the structural and magnetic properties of mixed-anion transition metal systems.
Overview
Key Properties
Cross-validated computational properties for Co6OF11, 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.
0.56–0.82 eV
Range across DFT structures
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.
0.030 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
28
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Co6OF11, 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. |
|---|---|---|---|---|---|
| Amm2 (No. 38) | orthorhombic | 0.82 | 0.0301 | -6.028 | 4.48 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0337 | -6.024 | 4.49 |
| Amm2 (No. 38) | orthorhombic | 0.66 | 0.0367 | -6.021 | 4.46 |
| Amm2 (No. 38) | orthorhombic | 0.56 | 0.0404 | -6.018 | 4.47 |
| Cm (No. 8) | monoclinic | 0.66 | 0.0454 | -6.013 | 4.46 |
| P1 (No. 1) | triclinic | 0.70 | 0.0458 | -6.012 | 4.50 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.71 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.48 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.47 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.73 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.77 |
| Amm2 (No. 38) | — | — | — | — | — |
Uses
Applications
Where Co6OF11 is used.
Solid-state chemistry researchMaterials science characterizationFundamental magnetic studies
Reference
Frequently Asked Questions
Common questions about Co6OF11, answered from cross-validated data.
What is Co6OF11?
This compound is a complex inorganic material containing cobalt, oxygen, and fluorine. It is primarily studied in academic research settings to understand the structural and magnetic properties of mixed-anion transition metal systems.
More questions
What is Co6OF11 used for?
Co6OF11 is used in solid-state chemistry research, materials science characterization, and fundamental magnetic studies.
What is the band gap of Co6OF11?
Co6OF11 has a DFT-computed band gap of 0.56–0.82 eV across 28 reported structures.
Is Co6OF11 a metal, semiconductor, or insulator?
With a band gap up to 0.82 eV it is a semiconductor.
Is Co6OF11 thermodynamically stable?
Co6OF11 has a lowest energy above hull of 0.030 eV/atom (metastable).
What is the crystal structure of Co6OF11?
The lowest-energy reported polymorph of Co6OF11 is orthorhombic symmetry, space group Amm2 (No. 38).
What is the density of Co6OF11?
The computed density of the ground-state structure of Co6OF11 is 4.48 g/cm³.
How many polymorphs of Co6OF11 are known?
28 structures of Co6OF11 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Co6OF11 contain?
Co6OF11 contains Co, F, and O (3 elements).
Where does the data for Co6OF11 come from?
Co6OF11 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Oxide Oxygen-Evolution 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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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