LiMn2Si2O7
LiMn2Si2O7 is a metastable, semiconducting lithium manganese silicate oxide used in materials science research for advanced battery electrode development.
About LiMn2Si2O7
LiMn2Si2O7 is a complex silicate-based oxide within the broader family of lithium manganese materials. As a semiconducting compound, it represents a unique structural variation that deviates from the standard spinel framework, offering distinct electrochemical pathways for ion transport.
This material is classified as metastable, making it a subject of significant interest for researchers investigating phase stability and structural transformations. Its synthesis and characterization contribute to the fundamental understanding of how silicate polyanions modify the electronic and chemical behavior of manganese-based oxides in potential battery applications.
Key Properties
Cross-validated computational properties for LiMn2Si2O7, 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 LiMn2Si2O7, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 0.98 | 0.0816 | -8.120 | 3.20 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.20 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.42 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.30 |
| Cc (No. 9) | — | — | — | — | — |
Applications
Where LiMn2Si2O7 is used.
Frequently Asked Questions
Common questions about LiMn2Si2O7, answered from cross-validated data.
What is LiMn2Si2O7?
LiMn2Si2O7 is a metastable, semiconducting lithium manganese silicate oxide used in materials science research for advanced battery electrode development.
What is LiMn2Si2O7 used for?
What is the band gap of LiMn2Si2O7?
Is LiMn2Si2O7 a metal, semiconductor, or insulator?
Is LiMn2Si2O7 thermodynamically stable?
What is the crystal structure of LiMn2Si2O7?
What is the density of LiMn2Si2O7?
How many polymorphs of LiMn2Si2O7 are known?
What elements does LiMn2Si2O7 contain?
Where does the data for LiMn2Si2O7 come from?
How It Compares
Within the spinel lithium manganese oxides class.
While compounds like LiMn2O4 are well-established as high-performance spinel cathode materials, LiMn2Si2O7 incorporates silicon into its lattice, which fundamentally alters its structural stability and electronic properties compared to traditional lithium manganese oxides. Unlike the more common spinel or layered structures, this silicate variant provides a different approach to balancing capacity and cycle life by leveraging the structural rigidity provided by the silicate groups.
Related Compounds
Other Spinel Lithium Manganese 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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