Li2Ti2FeO6
Li2Ti2FeO6 is a metastable, semiconducting iron-titanium oxide used in the study of advanced anode materials for energy storage.
About Li2Ti2FeO6
Li2Ti2FeO6 is a complex oxide belonging to the titanate anode family. As a semiconducting material, it represents a unique intersection of lithium-ion chemistry and transition metal oxide frameworks, offering an alternative structural approach for electrochemical applications. Its metastable nature suggests a complex synthesis landscape, making it a subject of interest for researchers exploring novel electrode architectures.
Because of its specific elemental composition involving iron and titanium, this compound is investigated for its potential to facilitate ion transport and charge storage. Its role as a titanate anode positions it within the broader effort to develop sustainable and high-performance materials for next-generation battery technologies.
Key Properties
Cross-validated computational properties for Li2Ti2FeO6, 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 Li2Ti2FeO6, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 1.98 | 0.0951 | -8.024 | 3.56 |
| Cmce (No. 64) | — | — | — | — | — |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.98 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.56 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.84 |
Applications
Where Li2Ti2FeO6 is used.
Frequently Asked Questions
Common questions about Li2Ti2FeO6, answered from cross-validated data.
What is Li2Ti2FeO6?
Li2Ti2FeO6 is a metastable, semiconducting iron-titanium oxide used in the study of advanced anode materials for energy storage.
What is Li2Ti2FeO6 used for?
What is the band gap of Li2Ti2FeO6?
Is Li2Ti2FeO6 a metal, semiconductor, or insulator?
Is Li2Ti2FeO6 thermodynamically stable?
What is the crystal structure of Li2Ti2FeO6?
What is the density of Li2Ti2FeO6?
How many polymorphs of Li2Ti2FeO6 are known?
What elements does Li2Ti2FeO6 contain?
Where does the data for Li2Ti2FeO6 come from?
How It Compares
Within the titanate anodes class.
Within the diverse class of titanate anodes, Li2Ti2FeO6 occupies a niche position compared to more established members like Li2TiO3. While many titanates are characterized by their robust stability, this compound stands out as a metastable phase, offering distinct structural and electronic variations that differentiate it from the more conventional binary and ternary titanate frameworks such as 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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