Li2TiMn2NiO8
Li2TiMn2NiO8 is a complex, semiconducting lithium-based oxide being researched for its potential use in high-performance battery cathode technologies.
About Li2TiMn2NiO8
Li2TiMn2NiO8 belongs to the class of layered lithium transition-metal oxides, characterized by its complex multi-element composition. As a semiconducting material, it represents a specialized structural arrangement designed to facilitate ionic mobility within its host lattice.
Despite its metastable nature, the compound is a subject of interest in materials research due to its potential for energy storage. Its unique electronic character and structural properties make it a candidate for investigation in next-generation electrochemical systems.
Key Properties
Cross-validated computational properties for Li2TiMn2NiO8, 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 Li2TiMn2NiO8, 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 | 0.77 | 0.0257 | -7.647 | 4.07 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.40 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.07 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.23 |
Applications
Where Li2TiMn2NiO8 is used.
Frequently Asked Questions
Common questions about Li2TiMn2NiO8, answered from cross-validated data.
What is Li2TiMn2NiO8?
Li2TiMn2NiO8 is a complex, semiconducting lithium-based oxide being researched for its potential use in high-performance battery cathode technologies.
What is Li2TiMn2NiO8 used for?
What is the band gap of Li2TiMn2NiO8?
Is Li2TiMn2NiO8 a metal, semiconductor, or insulator?
Is Li2TiMn2NiO8 thermodynamically stable?
What is the crystal structure of Li2TiMn2NiO8?
What is the density of Li2TiMn2NiO8?
How many polymorphs of Li2TiMn2NiO8 are known?
What elements does Li2TiMn2NiO8 contain?
Where does the data for Li2TiMn2NiO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2TiMn2NiO8 occupies a distinct niche compared to well-established benchmarks like LiCoO2 or LiMn2O4. While those materials are widely utilized for their robust performance, this compound is studied for its specific elemental synergy, offering a different structural pathway than simpler oxides such as LiAlO2.
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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