LiCo5O7F
LiCo5O7F is a metastable, semiconducting layered lithium transition-metal oxide used in advanced materials research.
About LiCo5O7F
LiCo5O7F is a complex layered lithium transition-metal oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural variation within the broader family of lithium-based oxides, offering distinct coordination environments for cobalt and fluorine within the lattice.
This compound is of significant interest in materials research due to its specialized composition, which deviates from standard stoichiometric oxides. Its role as a metastable material makes it a subject of study for understanding phase stability and electrochemical performance in advanced battery systems.
Key Properties
Cross-validated computational properties for LiCo5O7F, 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 LiCo5O7F, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.45 | 0.0465 | -6.788 | 5.06 |
| R3m (No. 160) | trigonal | 0.00 | 0.0587 | -6.776 | 5.54 |
| P1 (No. 1) | triclinic | 0.00 | 0.0931 | -6.742 | 4.89 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.06 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.73 |
| R3m (No. 160) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 5.50 |
| R3m (No. 160) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
Applications
Where LiCo5O7F is used.
Frequently Asked Questions
Common questions about LiCo5O7F, answered from cross-validated data.
What is LiCo5O7F?
LiCo5O7F is a metastable, semiconducting layered lithium transition-metal oxide used in advanced materials research.
What is LiCo5O7F used for?
What is the band gap of LiCo5O7F?
Is LiCo5O7F a metal, semiconductor, or insulator?
Is LiCo5O7F thermodynamically stable?
What is the crystal structure of LiCo5O7F?
What is the density of LiCo5O7F?
How many polymorphs of LiCo5O7F are known?
What elements does LiCo5O7F contain?
Where does the data for LiCo5O7F come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the widely utilized and thermodynamically stable LiCoO2, which serves as a benchmark for commercial cathode materials, LiCo5O7F occupies a more niche position as a metastable phase. While materials like LiNiO2 and LiMn2O4 are characterized by their robust layered or spinel frameworks, this compound offers a complex structural alternative that highlights the diversity of lithium-cobalt-oxygen-fluorine chemistry.
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).
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