F10Fe4Li2
This compound is a lithium iron fluoride material typically investigated for its potential as a cathode material in advanced battery systems. It is studied for its ability to facilitate the movement of lithium ions during electrochemical cycling.
FFeLi
Overview
Key Properties
Cross-validated computational properties for F10Fe4Li2, aggregated across 2 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.
1.13–4.17 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.
0.041 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
18
2 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for F10Fe4Li2, 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 | 3.22 | 0.0408 | -6.246 | 3.55 |
| P-1 (No. 2) | triclinic | 3.82 | 0.0472 | -6.239 | 3.35 |
| Cmcm (No. 63) | orthorhombic | 3.20 | 0.0539 | -6.232 | 3.30 |
| P-1 (No. 2) | triclinic | 3.33 | 0.0657 | -6.221 | 3.13 |
| P1 (No. 1) | triclinic | 3.29 | 0.0698 | -6.217 | 3.10 |
| C2/c (No. 15) | monoclinic | 3.09 | 0.0713 | -6.215 | 3.32 |
| Pnma (No. 62) | orthorhombic | 3.20 | 0.0768 | -6.210 | 3.12 |
| P21/c (No. 14) | monoclinic | 2.87 | 0.0780 | -6.208 | 3.64 |
| C2/c (No. 15) | monoclinic | 3.38 | 0.0788 | -6.208 | 4.15 |
| Pnnm (No. 58) | orthorhombic | 2.57 | 0.0996 | -6.187 | 3.07 |
| P-1 (No. 2) | triclinic | 2.18 | 0.5571 | -5.729 | 3.35 |
| C2/c (No. 15) | monoclinic | 4.17 | 0.7263 | -5.560 | 3.53 |
Uses
Applications
Where F10Fe4Li2 is used.
Energy storage researchBattery electrode development
Reference
Frequently Asked Questions
Common questions about F10Fe4Li2, answered from cross-validated data.
What is F10Fe4Li2?
This compound is a lithium iron fluoride material typically investigated for its potential as a cathode material in advanced battery systems. It is studied for its ability to facilitate the movement of lithium ions during electrochemical cycling.
More questions
What is F10Fe4Li2 used for?
F10Fe4Li2 is used in energy storage research and battery electrode development.
What is the band gap of F10Fe4Li2?
F10Fe4Li2 has a DFT-computed band gap of 1.13–4.17 eV across 18 reported structures.
Is F10Fe4Li2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.17 eV it is an insulator / wide-band-gap material.
Is F10Fe4Li2 thermodynamically stable?
F10Fe4Li2 has a lowest energy above hull of 0.041 eV/atom (metastable).
What is the crystal structure of F10Fe4Li2?
The lowest-energy reported polymorph of F10Fe4Li2 is triclinic symmetry, space group P1 (No. 1).
What is the density of F10Fe4Li2?
The computed density of the ground-state structure of F10Fe4Li2 is 3.55 g/cm³.
How many polymorphs of F10Fe4Li2 are known?
18 structures of F10Fe4Li2 are reported across 2 databases, spanning 7 distinct space groups.
What elements does F10Fe4Li2 contain?
F10Fe4Li2 contains F, Fe, and Li (3 elements).
Where does the data for F10Fe4Li2 come from?
F10Fe4Li2 data is cross-referenced from materials_project, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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