Li2MnCoO4
Li2MnCoO4 is a semiconducting lithium transition-metal oxide structurally positioned as a promising candidate for battery electrolyte and electrode research.
About Li2MnCoO4
Li2MnCoO4 is a semiconducting layered lithium transition-metal oxide that occupies a near-hull position in the thermodynamic landscape, indicating it is likely synthesizable. Its structural framework, characterized by the arrangement of lithium, manganese, cobalt, and oxygen, positions it as a subject of interest for electrochemical applications.
This material contributes to the broader study of complex oxides where the synergy between transition metals dictates electronic and ionic transport. Given its structural classification, it is primarily investigated for its potential role in high-capacity battery systems where stable, layered architectures are essential for performance.
Key Properties
Cross-validated computational properties for Li2MnCoO4, 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 Li2MnCoO4, 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 | 0.45 | 0.0208 | -6.920 | 4.69 |
| P2/c (No. 13) | monoclinic | 0.53 | 0.0215 | -6.920 | 4.36 |
| P-1 (No. 2) | triclinic | 1.13 | 0.0216 | -6.920 | 4.37 |
| C2/m (No. 12) | monoclinic | 0.88 | 0.0288 | -6.912 | 4.37 |
| C2/m (No. 12) | monoclinic | 0.62 | 0.0325 | -6.909 | 4.38 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0342 | -6.907 | 4.36 |
| C2/c (No. 15) | monoclinic | 0.59 | 0.0499 | -6.891 | 4.26 |
| P-1 (No. 2) | triclinic | 0.69 | 0.0513 | -6.890 | 4.26 |
| P-1 (No. 2) | triclinic | 0.71 | 0.0557 | -6.885 | 4.28 |
| P1 (No. 1) | triclinic | 0.00 | 0.0617 | -6.879 | 4.26 |
| C2/c (No. 15) | monoclinic | 0.58 | 0.0620 | -6.879 | 4.25 |
| P1 (No. 1) | triclinic | 0.01 | 0.0626 | -6.879 | 4.28 |
Applications
Where Li2MnCoO4 is used.
Frequently Asked Questions
Common questions about Li2MnCoO4, answered from cross-validated data.
What is Li2MnCoO4?
Li2MnCoO4 is a semiconducting lithium transition-metal oxide structurally positioned as a promising candidate for battery electrolyte and electrode research.
What is Li2MnCoO4 used for?
What is the band gap of Li2MnCoO4?
Is Li2MnCoO4 a metal, semiconductor, or insulator?
Is Li2MnCoO4 thermodynamically stable?
What is the crystal structure of Li2MnCoO4?
What is the density of Li2MnCoO4?
How many polymorphs of Li2MnCoO4 are known?
What elements does Li2MnCoO4 contain?
Where does the data for Li2MnCoO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the class of layered lithium transition-metal oxides, Li2MnCoO4 serves as a complex multi-metal variant that bridges the structural motifs found in simpler systems like LiCoO2 and LiMnO2. While LiCoO2 remains the industry standard for cathode materials, Li2MnCoO4 offers a distinct compositional space that aims to balance the electrochemical activity of cobalt with the structural stability provided by manganese, distinguishing it from the spinel-like behavior often observed in LiMn2O4.
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).
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