LiTiMnO4
LiTiMnO4 is a semiconducting lithium transition-metal oxide that is potentially synthesizable for use in advanced battery technologies.
About LiTiMnO4
LiTiMnO4 is a complex layered lithium transition-metal oxide that exhibits semiconducting electronic properties. Its structural configuration and chemical composition make it a subject of interest for researchers investigating new electrode materials for electrochemical energy storage devices.
As a near-hull compound, it is considered thermodynamically accessible for synthesis. The material benefits from a growing body of structural data, positioning it as a viable candidate for experimental studies aimed at optimizing performance in battery architectures.
Key Properties
Cross-validated computational properties for LiTiMnO4, 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 LiTiMnO4, 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/c (No. 15) | monoclinic | 1.52 | 0.0196 | -8.267 | 3.76 |
| Imma (No. 74) | orthorhombic | 0.07 | 0.0324 | -8.254 | 3.77 |
| P4322 (No. 95) | tetragonal | 0.56 | 0.0928 | -8.194 | 4.01 |
| Imma (No. 74) | — | — | — | — | — |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.01 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.18 |
| Imma (No. 74) | Orthorhombic | — | — | — | 3.77 |
| Imma (No. 74) | Orthorhombic | — | — | — | 3.89 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.31 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.02 |
Applications
Where LiTiMnO4 is used.
Frequently Asked Questions
Common questions about LiTiMnO4, answered from cross-validated data.
What is LiTiMnO4?
LiTiMnO4 is a semiconducting lithium transition-metal oxide that is potentially synthesizable for use in advanced battery technologies.
What is LiTiMnO4 used for?
What is the band gap of LiTiMnO4?
Is LiTiMnO4 a metal, semiconductor, or insulator?
Is LiTiMnO4 thermodynamically stable?
What is the crystal structure of LiTiMnO4?
What is the density of LiTiMnO4?
How many polymorphs of LiTiMnO4 are known?
What elements does LiTiMnO4 contain?
Where does the data for LiTiMnO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, LiTiMnO4 occupies a unique position compared to well-established commercial standards like LiCoO2 and LiNiO2. While those materials are widely utilized for their high capacity, LiTiMnO4 offers a distinct transition-metal arrangement that differentiates it from the spinel-like structures seen in LiMn2O4 or the layered framework of Li2MnO3, providing a specific alternative for exploring ion-transport kinetics.
Related Compounds
Other Layered Lithium Transition-Metal Oxides 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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