Li5Mn6O12
Li5Mn6O12 is a metastable, semiconducting oxide of lithium and manganese used in materials science research to explore advanced battery electrode chemistries.
About Li5Mn6O12
Li5Mn6O12 is a semiconducting member of the layered lithium transition-metal oxide family. As a metastable phase, it represents a complex structural arrangement of lithium, manganese, and oxygen, providing a unique platform for studying ion transport and electronic behavior in battery-related materials.
Its significance lies in its structural diversity, with multiple reported configurations that highlight the intricate coordination chemistry of manganese within the lithium oxide framework. Researchers utilize this compound to better understand the stability limits and electrochemical potential of manganese-rich oxides in high-performance applications.
Key Properties
Cross-validated computational properties for Li5Mn6O12, 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 Li5Mn6O12, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.21 | 0.0271 | -7.497 | 4.01 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0424 | -7.481 | 4.01 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.01 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.36 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.19 |
| P1 (No. 1) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Li5Mn6O12 is used.
Frequently Asked Questions
Common questions about Li5Mn6O12, answered from cross-validated data.
What is Li5Mn6O12?
Li5Mn6O12 is a metastable, semiconducting oxide of lithium and manganese used in materials science research to explore advanced battery electrode chemistries.
What is Li5Mn6O12 used for?
What is the band gap of Li5Mn6O12?
Is Li5Mn6O12 a metal, semiconductor, or insulator?
Is Li5Mn6O12 thermodynamically stable?
What is the crystal structure of Li5Mn6O12?
What is the density of Li5Mn6O12?
How many polymorphs of Li5Mn6O12 are known?
What elements does Li5Mn6O12 contain?
Where does the data for Li5Mn6O12 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broader class of layered lithium transition-metal oxides, Li5Mn6O12 occupies a distinct niche compared to more common cathode materials like LiCoO2 or LiNiO2. While those materials are widely utilized for their stable layered structures, Li5Mn6O12 is characterized by its metastability, placing it in a category of compounds that offer unique structural insights alongside other manganese-based variants like Li2MnO3 and LiMnO2.
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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