Li3Mn3NiO8
Li3Mn3NiO8 is a semiconducting, metastable lithium transition-metal oxide investigated for its potential application in high-performance battery cathodes.
About Li3Mn3NiO8
Li3Mn3NiO8 is a complex layered lithium transition-metal oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized configuration within the broader family of lithium-based oxides, offering unique structural pathways for ion transport.
This compound is primarily studied for its potential utility in electrochemical energy storage systems. Its specific arrangement of lithium, manganese, nickel, and oxygen atoms makes it a subject of interest for researchers seeking to optimize cathode materials for next-generation battery technologies.
Key Properties
Cross-validated computational properties for Li3Mn3NiO8, 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 Li3Mn3NiO8, 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 | 0.46 | 0.0327 | -7.210 | 4.24 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0881 | -7.155 | 4.21 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.1343 | -7.109 | 4.61 |
| Cc (No. 9) | monoclinic | 0.38 | 0.8195 | -6.423 | 4.42 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.21 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.54 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.24 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.57 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.41 |
| C2/m (No. 12) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.61 |
Applications
Where Li3Mn3NiO8 is used.
Frequently Asked Questions
Common questions about Li3Mn3NiO8, answered from cross-validated data.
What is Li3Mn3NiO8?
Li3Mn3NiO8 is a semiconducting, metastable lithium transition-metal oxide investigated for its potential application in high-performance battery cathodes.
What is Li3Mn3NiO8 used for?
What is the band gap of Li3Mn3NiO8?
Is Li3Mn3NiO8 a metal, semiconductor, or insulator?
Is Li3Mn3NiO8 thermodynamically stable?
What is the crystal structure of Li3Mn3NiO8?
What is the density of Li3Mn3NiO8?
How many polymorphs of Li3Mn3NiO8 are known?
What elements does Li3Mn3NiO8 contain?
Where does the data for Li3Mn3NiO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, Li3Mn3NiO8 occupies a distinct niche compared to more conventional materials like LiCoO2 or LiNiO2. While those compounds are widely utilized as stable commercial benchmarks, Li3Mn3NiO8 is characterized by its metastability, placing it alongside more experimental variants like Li5Mn3O8 and Li3Mn4O8 that are currently being investigated to push the boundaries of capacity and structural stability in lithium-ion systems.
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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