Li5Ti2Fe3O10
Li5Ti2Fe3O10 is a semiconducting complex oxide titanate being studied as a potential anode material for advanced battery technologies.
About Li5Ti2Fe3O10
Li5Ti2Fe3O10 is a complex oxide belonging to the titanate anode class, characterized by its semiconducting electronic nature. Its structural versatility is highlighted by multiple reported configurations, suggesting a rich landscape for electrochemical research.
As a near-hull material, this compound is considered a viable candidate for synthesis and experimental investigation. Its composition, involving both titanium and iron, positions it as a subject of interest for those seeking to optimize charge-transfer kinetics in lithium-ion battery systems.
Key Properties
Cross-validated computational properties for Li5Ti2Fe3O10, 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 Li5Ti2Fe3O10, 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 | 1.77 | 0.0203 | -7.465 | 3.97 |
| P-1 (No. 2) | triclinic | 1.50 | 0.0258 | -7.460 | 3.99 |
| P1 (No. 1) | Triclinic | — | — | — | 3.97 |
| P1 (No. 1) | Triclinic | — | — | — | 4.34 |
| P1 (No. 1) | Triclinic | — | — | — | 4.24 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Li5Ti2Fe3O10 is used.
Frequently Asked Questions
Common questions about Li5Ti2Fe3O10, answered from cross-validated data.
What is Li5Ti2Fe3O10?
Li5Ti2Fe3O10 is a semiconducting complex oxide titanate being studied as a potential anode material for advanced battery technologies.
What is Li5Ti2Fe3O10 used for?
What is the band gap of Li5Ti2Fe3O10?
Is Li5Ti2Fe3O10 a metal, semiconductor, or insulator?
Is Li5Ti2Fe3O10 thermodynamically stable?
What is the crystal structure of Li5Ti2Fe3O10?
What is the density of Li5Ti2Fe3O10?
How many polymorphs of Li5Ti2Fe3O10 are known?
What elements does Li5Ti2Fe3O10 contain?
Where does the data for Li5Ti2Fe3O10 come from?
How It Compares
Within the titanate anodes class.
Within the diverse family of titanate anodes, Li5Ti2Fe3O10 occupies a unique niche compared to simpler structures like Li2TiO3 or Li2Ti3O7. While many titanates focus on pure titanium redox, the inclusion of iron in this lattice distinguishes it from siblings like Li2TiVO4 or Li2TiCr3O8, offering a different pathway for balancing structural stability and capacity during electrochemical cycling.
Related Compounds
Other Titanate Anodes 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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