LiMn2NiO6
LiMn2NiO6 is a metastable, semiconducting lithium transition-metal oxide used in advanced materials research for potential battery cathode applications.
About LiMn2NiO6
LiMn2NiO6 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase within the broader family of lithium-based oxides, it represents a significant subject of study for researchers aiming to understand structural diversity in battery materials.
Its importance lies in the intricate arrangement of lithium, manganese, nickel, and oxygen atoms, which influences its electrochemical behavior. The compound is primarily investigated for its potential utility in high-performance cathode architectures where structural stability and ion mobility are critical factors.
Key Properties
Cross-validated computational properties for LiMn2NiO6, aggregated across 5 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 LiMn2NiO6, 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 | 1.35 | 0.0688 | -7.272 | 3.96 |
| P-1 (No. 2) | triclinic | 0.71 | 0.0810 | -7.259 | 4.25 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.96 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.37 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.14 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 4.21 |
| — | — | — | — | — | 4.19 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.25 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.63 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.41 |
Applications
Where LiMn2NiO6 is used.
Frequently Asked Questions
Common questions about LiMn2NiO6, answered from cross-validated data.
What is LiMn2NiO6?
LiMn2NiO6 is a metastable, semiconducting lithium transition-metal oxide used in advanced materials research for potential battery cathode applications.
What is LiMn2NiO6 used for?
What is the band gap of LiMn2NiO6?
Is LiMn2NiO6 a metal, semiconductor, or insulator?
Is LiMn2NiO6 thermodynamically stable?
What is the crystal structure of LiMn2NiO6?
What is the density of LiMn2NiO6?
How many polymorphs of LiMn2NiO6 are known?
What elements does LiMn2NiO6 contain?
Where does the data for LiMn2NiO6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse landscape of layered lithium transition-metal oxides, LiMn2NiO6 occupies a distinct niche compared to well-established benchmarks like LiCoO2 and LiNiO2. While LiCoO2 serves as a standard for commercial stability, LiMn2NiO6 presents a more complex, metastable structural profile that challenges traditional synthesis pathways, offering a unique alternative to the more common LiMn2O4 spinel structures.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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