Li4TiFe3O8
Li4TiFe3O8 is a metastable semiconducting titanate oxide being investigated for its potential application as an anode material in electrochemical energy storage.
About Li4TiFe3O8
Li4TiFe3O8 is a complex oxide belonging to the titanate anode class, characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement within the lithium-titanium-iron-oxygen system, offering distinct pathways for ion transport and electrochemical activity.
This material is of significant interest in materials science due to its multi-component composition, which allows for tunable electrochemical properties. Its role as a potential anode candidate is supported by ongoing structural investigations, aiming to leverage its semiconducting behavior for improved performance in battery technologies.
Key Properties
Cross-validated computational properties for Li4TiFe3O8, 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 Li4TiFe3O8, 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 | 0.68 | 0.0299 | -7.279 | 4.05 |
| P1 (No. 1) | triclinic | 1.49 | 0.0419 | -7.267 | 3.27 |
| P1 (No. 1) | Triclinic | — | — | — | 3.27 |
| P1 (No. 1) | Triclinic | — | — | — | 3.54 |
| P1 (No. 1) | Triclinic | — | — | — | 3.47 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.41 |
| P1 (No. 1) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.05 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.31 |
Applications
Where Li4TiFe3O8 is used.
Frequently Asked Questions
Common questions about Li4TiFe3O8, answered from cross-validated data.
What is Li4TiFe3O8?
Li4TiFe3O8 is a metastable semiconducting titanate oxide being investigated for its potential application as an anode material in electrochemical energy storage.
What is Li4TiFe3O8 used for?
What is the band gap of Li4TiFe3O8?
Is Li4TiFe3O8 a metal, semiconductor, or insulator?
Is Li4TiFe3O8 thermodynamically stable?
What is the crystal structure of Li4TiFe3O8?
What is the density of Li4TiFe3O8?
How many polymorphs of Li4TiFe3O8 are known?
What elements does Li4TiFe3O8 contain?
Where does the data for Li4TiFe3O8 come from?
How It Compares
Within the titanate anodes class.
Within the diverse family of titanate anodes, Li4TiFe3O8 occupies a specialized niche compared to more common members like Li2TiO3. While many titanates are explored for their structural robustness, this iron-containing variant introduces complex transition metal interactions that differentiate it from simpler binary or ternary titanates like Li2Ti3O7, positioning it as a subject of interest for those studying high-entropy or multi-metal oxide electrode systems.
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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