Li3MnSi2O7
Li3MnSi2O7 is a metastable, semiconducting lithium manganese silicate oxide studied for its potential utility in electrochemical energy storage.
About Li3MnSi2O7
Li3MnSi2O7 is a complex silicate-based lithium manganese oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique configuration within the broader family of lithium manganese oxides, offering distinct structural pathways for ion mobility and electrochemical interaction.
This compound is of significant interest in materials science for its potential applications in energy storage systems. Its specific arrangement of lithium, manganese, and silicate units provides a framework that researchers study to understand how structural metastability influences performance in high-capacity battery architectures.
Key Properties
Cross-validated computational properties for Li3MnSi2O7, 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 Li3MnSi2O7, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 0.92 | 0.0579 | -7.351 | 2.89 |
| Pnma (No. 62) | orthorhombic | 0.04 | 0.0681 | -7.341 | 2.89 |
| P1 (No. 1) | triclinic | 1.18 | 0.0979 | -7.311 | 2.71 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 2.88 |
| P1 (No. 1) | Triclinic | — | — | — | 2.71 |
| P1 (No. 1) | Triclinic | — | — | — | 2.80 |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Li3MnSi2O7 is used.
Frequently Asked Questions
Common questions about Li3MnSi2O7, answered from cross-validated data.
What is Li3MnSi2O7?
Li3MnSi2O7 is a metastable, semiconducting lithium manganese silicate oxide studied for its potential utility in electrochemical energy storage.
What is Li3MnSi2O7 used for?
What is the band gap of Li3MnSi2O7?
Is Li3MnSi2O7 a metal, semiconductor, or insulator?
Is Li3MnSi2O7 thermodynamically stable?
What is the crystal structure of Li3MnSi2O7?
What is the density of Li3MnSi2O7?
How many polymorphs of Li3MnSi2O7 are known?
What elements does Li3MnSi2O7 contain?
Where does the data for Li3MnSi2O7 come from?
How It Compares
Within the spinel lithium manganese oxides class.
Within the diverse class of lithium manganese oxides, Li3MnSi2O7 occupies a specialized niche compared to more conventional, highly stable cathode materials like LiMn2O4. While LiMn2O4 is widely utilized for its robust performance in commercial batteries, Li3MnSi2O7 serves as a subject of fundamental investigation, highlighting the structural diversity possible when incorporating silicate polyanions into the manganese oxide lattice.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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