FFeLi5O3
This compound is a lithium-based inorganic material containing iron and fluorine. It is primarily investigated as a potential cathode material for advanced energy storage systems.
FFeLiO
Overview
Key Properties
Cross-validated computational properties for FFeLi5O3, 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.
2.47–2.75 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.
0.047 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.
5
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for FFeLi5O3, 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/m (No. 12) | monoclinic | 2.58 | 0.0466 | -5.631 | 2.48 |
| Ama2 (No. 40) | orthorhombic | 2.75 | 0.0902 | -5.588 | 2.63 |
| Pm (No. 6) | monoclinic | 2.47 | 0.2730 | -5.405 | 2.63 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | — |
Uses
Applications
Where FFeLi5O3 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about FFeLi5O3, answered from cross-validated data.
What is FFeLi5O3?
This compound is a lithium-based inorganic material containing iron and fluorine. It is primarily investigated as a potential cathode material for advanced energy storage systems.
More questions
What is FFeLi5O3 used for?
FFeLi5O3 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of FFeLi5O3?
FFeLi5O3 has a DFT-computed band gap of 2.47–2.75 eV across 5 reported structures.
Is FFeLi5O3 a metal, semiconductor, or insulator?
With a band gap up to 2.75 eV it is a semiconductor.
Is FFeLi5O3 thermodynamically stable?
FFeLi5O3 has a lowest energy above hull of 0.047 eV/atom (metastable).
What is the crystal structure of FFeLi5O3?
The lowest-energy reported polymorph of FFeLi5O3 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of FFeLi5O3?
The computed density of the ground-state structure of FFeLi5O3 is 2.48 g/cm³.
How many polymorphs of FFeLi5O3 are known?
5 structures of FFeLi5O3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does FFeLi5O3 contain?
FFeLi5O3 contains F, Fe, Li, and O (4 elements).
Where does the data for FFeLi5O3 come from?
FFeLi5O3 data is cross-referenced from materials_project, nomad, alexandria.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
Analyze FFeLi5O3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →