Li6Mn5Ni3O16
Li6Mn5Ni3O16 is a metastable, semiconducting layered oxide containing lithium, manganese, and nickel, primarily researched for its potential in advanced battery technologies.
About Li6Mn5Ni3O16
Li6Mn5Ni3O16 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a metastable phase, it represents a complex arrangement of lithium, manganese, nickel, and oxygen atoms that is of significant interest for understanding structural evolution in energy storage materials. Its existence within the broader landscape of lithium-based oxides highlights the intricate interplay between transition metal oxidation states and ionic mobility. This compound is primarily investigated in the context of high-performance battery electrodes, where its unique structural properties are evaluated for potential improvements in capacity and stability. By studying its metastable configuration, researchers aim to unlock new pathways for designing more durable and efficient cathode materials for next-generation power systems.
Key Properties
Cross-validated computational properties for Li6Mn5Ni3O16, 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 Li6Mn5Ni3O16, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.26 | 0.0803 | -6.990 | 4.51 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.51 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.91 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.73 |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Li6Mn5Ni3O16 is used.
Frequently Asked Questions
Common questions about Li6Mn5Ni3O16, answered from cross-validated data.
What is Li6Mn5Ni3O16?
Li6Mn5Ni3O16 is a metastable, semiconducting layered oxide containing lithium, manganese, and nickel, primarily researched for its potential in advanced battery technologies.
What is Li6Mn5Ni3O16 used for?
What is the band gap of Li6Mn5Ni3O16?
Is Li6Mn5Ni3O16 a metal, semiconductor, or insulator?
Is Li6Mn5Ni3O16 thermodynamically stable?
What is the crystal structure of Li6Mn5Ni3O16?
What is the density of Li6Mn5Ni3O16?
How many polymorphs of Li6Mn5Ni3O16 are known?
What elements does Li6Mn5Ni3O16 contain?
Where does the data for Li6Mn5Ni3O16 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the highly stable and widely utilized LiCoO2 or the spinel-structured LiMn2O4, Li6Mn5Ni3O16 exists in a metastable state, making it a more specialized subject of study within the layered oxide family. While siblings like LiNiO2 are standard benchmarks for nickel-rich cathode development, this compound offers a distinct stoichiometry that challenges conventional structural models, positioning it as a unique candidate for exploring non-equilibrium material properties in electrochemical applications.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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