LiTiFe5O8
LiTiFe5O8 is a semiconducting complex titanate oxide used in the study of advanced anode materials for electrochemical applications.
About LiTiFe5O8
LiTiFe5O8 is a complex oxide belonging to the titanate anode class, characterized by its semiconducting electronic nature. As a multi-element system, it represents a specialized composition within the broader family of lithium-based transition metal oxides investigated for electrochemical energy storage. The material exhibits a notable structural diversity, with numerous reported configurations across crystallographic databases. Despite its potential utility, it is classified as thermodynamically unstable, sitting above the hull, which highlights the synthetic challenges often encountered in complex titanate systems.
Key Properties
Cross-validated computational properties for LiTiFe5O8, 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.
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 LiTiFe5O8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.09 | 0.1329 | -8.010 | 4.63 |
| P1 (No. 1) | triclinic | 1.02 | 0.1693 | -7.974 | 4.52 |
| Cm (No. 8) | monoclinic | 1.07 | 0.1744 | -7.969 | 4.52 |
| C2/m (No. 12) | monoclinic | 0.01 | 0.1836 | -7.959 | 4.66 |
| R3m (No. 160) | trigonal | 0.57 | 0.3108 | -7.832 | 4.49 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.52 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.91 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.66 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.10 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.63 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.98 |
Applications
Where LiTiFe5O8 is used.
Frequently Asked Questions
Common questions about LiTiFe5O8, answered from cross-validated data.
What is LiTiFe5O8?
LiTiFe5O8 is a semiconducting complex titanate oxide used in the study of advanced anode materials for electrochemical applications.
What is LiTiFe5O8 used for?
What is the band gap of LiTiFe5O8?
Is LiTiFe5O8 a metal, semiconductor, or insulator?
Is LiTiFe5O8 thermodynamically stable?
What is the crystal structure of LiTiFe5O8?
What is the density of LiTiFe5O8?
How many polymorphs of LiTiFe5O8 are known?
What elements does LiTiFe5O8 contain?
Where does the data for LiTiFe5O8 come from?
How It Compares
Within the titanate anodes class.
Compared to more stable and widely characterized titanates like Li2TiO3 or Li2Ti3O7, LiTiFe5O8 occupies a more niche position due to its complex stoichiometry and relative thermodynamic instability. While siblings like Li2TiO3 are frequently studied for their robust performance in battery architectures, this iron-rich variant offers a distinct electronic profile that differentiates it from the simpler binary or ternary titanate structures.
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.
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