Li2Mn3O6
Li2Mn3O6 is a metastable semiconducting lithium manganese oxide used in advanced materials research for energy storage.
About Li2Mn3O6
Li2Mn3O6 belongs to the family of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. As a metastable phase, it represents a complex arrangement of lithium, manganese, and oxygen atoms that offers unique insights into structural diversity within lithium-based materials.
This compound is primarily of interest in materials science research, particularly for its potential applications in electrochemical energy storage systems. Its structural configuration is the subject of ongoing investigation to understand how metastable oxides can be stabilized and utilized in next-generation battery technologies.
Key Properties
Cross-validated computational properties for Li2Mn3O6, aggregated across 4 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 Li2Mn3O6, 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 | 0.86 | 0.0312 | -7.619 | 4.01 |
| C2/m (No. 12) | monoclinic | 0.05 | 0.0442 | -7.606 | 4.26 |
| P1 (No. 1) | triclinic | 0.00 | 0.0622 | -7.588 | 4.02 |
| Cc (No. 9) | monoclinic | 0.78 | 0.0688 | -7.581 | 3.95 |
| P1 (No. 1) | triclinic | 0.39 | 0.0860 | -7.564 | 4.19 |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0975 | -7.552 | 3.82 |
| Cmce (No. 64) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.37 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.01 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.26 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.18 |
Applications
Where Li2Mn3O6 is used.
Frequently Asked Questions
Common questions about Li2Mn3O6, answered from cross-validated data.
What is Li2Mn3O6?
Li2Mn3O6 is a metastable semiconducting lithium manganese oxide used in advanced materials research for energy storage.
What is Li2Mn3O6 used for?
What is the band gap of Li2Mn3O6?
Is Li2Mn3O6 a metal, semiconductor, or insulator?
Is Li2Mn3O6 thermodynamically stable?
What is the crystal structure of Li2Mn3O6?
What is the density of Li2Mn3O6?
How many polymorphs of Li2Mn3O6 are known?
What elements does Li2Mn3O6 contain?
Where does the data for Li2Mn3O6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Compared to well-established cathode materials like LiCoO2 and LiNiO2, Li2Mn3O6 is a metastable phase that highlights the structural complexity inherent in manganese-rich lithium oxides. Unlike the highly stable and widely commercialized LiMn2O4, this compound occupies a more niche position in the landscape of transition-metal oxides, serving as a critical subject for fundamental studies into phase stability and electrochemical behavior.
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.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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