Li2TiFe2O5
Li2TiFe2O5 is a metastable, semiconducting titanate oxide used in research for advanced lithium-ion battery anode applications.
About Li2TiFe2O5
Li2TiFe2O5 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 of lithium, titanium, iron, and oxygen that offers distinct pathways for ion transport in electrochemical systems. Its structural complexity is underscored by the significant number of reported configurations found across major materials databases.
This compound is primarily investigated for its role in next-generation energy storage technologies, where titanates are favored for their structural stability and safety profiles. By leveraging the redox activity of transition metals within the lattice, Li2TiFe2O5 serves as a subject of intense study for researchers aiming to optimize electrode performance beyond traditional lithium-ion battery materials.
Key Properties
Cross-validated computational properties for Li2TiFe2O5, 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 Li2TiFe2O5, 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 | 1.47 | 0.0375 | -7.684 | 4.36 |
| P1 (No. 1) | triclinic | 1.48 | 0.0491 | -7.672 | 4.40 |
| C2/c (No. 15) | monoclinic | 1.68 | 0.0507 | -7.670 | 4.45 |
| Cc (No. 9) | monoclinic | 1.67 | 0.0513 | -7.670 | 4.44 |
| C2 (No. 5) | monoclinic | 1.20 | 0.0594 | -7.662 | 4.53 |
| P-1 (No. 2) | triclinic | 1.36 | 0.0604 | -7.661 | 4.77 |
| P-1 (No. 2) | triclinic | 1.28 | 0.0727 | -7.648 | 4.36 |
| C2/m (No. 12) | monoclinic | 0.97 | 0.0828 | -7.638 | 4.59 |
| P1 (No. 1) | Triclinic | — | — | — | 4.67 |
| C2/c (No. 15) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.36 |
| P1 (No. 1) | Triclinic | — | — | — | 4.84 |
Applications
Where Li2TiFe2O5 is used.
Frequently Asked Questions
Common questions about Li2TiFe2O5, answered from cross-validated data.
What is Li2TiFe2O5?
Li2TiFe2O5 is a metastable, semiconducting titanate oxide used in research for advanced lithium-ion battery anode applications.
What is Li2TiFe2O5 used for?
What is the band gap of Li2TiFe2O5?
Is Li2TiFe2O5 a metal, semiconductor, or insulator?
Is Li2TiFe2O5 thermodynamically stable?
What is the crystal structure of Li2TiFe2O5?
What is the density of Li2TiFe2O5?
How many polymorphs of Li2TiFe2O5 are known?
What elements does Li2TiFe2O5 contain?
Where does the data for Li2TiFe2O5 come from?
How It Compares
Within the titanate anodes class.
Within the diverse family of titanate anodes, Li2TiFe2O5 occupies a specialized niche compared to more common members like Li2TiO3. While compounds such as Li2TiO3 are often studied for their structural robustness and simple stoichiometry, Li2TiFe2O5 introduces iron into the framework, creating a more intricate electronic environment that differentiates it from the simpler binary or ternary titanate structures like Li2Ti3O7.
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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