Li8CoO5F
Li8CoO5F is a metastable, semiconducting lithium-based transition metal oxide used in experimental energy storage research.
About Li8CoO5F
Li8CoO5F is a complex, metastable member of the layered lithium transition-metal oxide family. Characterized by its semiconducting electronic nature, it represents a unique intersection of cobalt-based chemistry and fluorine incorporation within a lithium-rich framework.
This compound is of significant interest in materials science as researchers investigate novel cathode architectures. Its structural complexity and the presence of fluorine suggest potential for tuning electrochemical performance in next-generation energy storage devices.
Key Properties
Cross-validated computational properties for Li8CoO5F, 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 Li8CoO5F, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.71 | 0.0295 | -5.366 | 2.40 |
| P21 (No. 4) | monoclinic | 1.65 | 0.0311 | -5.364 | 2.41 |
| P1 (No. 1) | triclinic | 0.94 | 0.0619 | -5.333 | 2.60 |
| P1 (No. 1) | triclinic | 1.07 | 0.0678 | -5.327 | 2.66 |
| P1 (No. 1) | triclinic | 0.95 | 0.0715 | -5.323 | 2.66 |
| P1 (No. 1) | triclinic | 0.00 | 0.0906 | -5.304 | 2.65 |
| P1 (No. 1) | Triclinic | — | — | — | 2.40 |
| P1 (No. 1) | Triclinic | — | — | — | 2.50 |
| P1 (No. 1) | Triclinic | — | — | — | 2.52 |
| P1 (No. 1) | — | — | — | — | — |
| P63 (No. 173) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Li8CoO5F is used.
Frequently Asked Questions
Common questions about Li8CoO5F, answered from cross-validated data.
What is Li8CoO5F?
Li8CoO5F is a metastable, semiconducting lithium-based transition metal oxide used in experimental energy storage research.
What is Li8CoO5F used for?
What is the band gap of Li8CoO5F?
Is Li8CoO5F a metal, semiconductor, or insulator?
Is Li8CoO5F thermodynamically stable?
What is the crystal structure of Li8CoO5F?
What is the density of Li8CoO5F?
How many polymorphs of Li8CoO5F are known?
What elements does Li8CoO5F contain?
Where does the data for Li8CoO5F come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broader class of layered lithium transition-metal oxides, Li8CoO5F occupies a distinct niche compared to more conventional, widely utilized materials like LiCoO2. While LiCoO2 serves as the standard for commercial battery cathodes due to its high stability, Li8CoO5F represents a more exotic, metastable structural variant that highlights the diversity of phase space available when incorporating fluorine into lithium-rich transition metal systems.
Related Compounds
Other Layered Lithium Transition-Metal Oxides 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).
Analyze Li8CoO5F in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →