Li2MnSiO4
Li2MnSiO4 is a thermodynamically stable lithium manganese silicate used primarily as a candidate material for high-performance lithium-ion battery cathodes.
About Li2MnSiO4
Li2MnSiO4 is a lithium manganese silicate that belongs to the broader class of spinel-related lithium manganese oxides. As a wide-band-gap insulator, it is characterized by its robust thermodynamic stability, sitting directly on the convex hull, which makes it a highly significant subject for electrochemical energy storage studies. Its structural versatility is evidenced by the extensive number of reported crystal structures across major materials databases. This compound is primarily investigated for its potential as a high-capacity cathode material, where its silicate framework provides structural integrity during the insertion and extraction of lithium ions. By leveraging its stable lattice, researchers aim to overcome the capacity fade issues often associated with manganese-based battery materials.
Key Properties
Cross-validated computational properties for Li2MnSiO4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Li2MnSiO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Li2MnSiO4, 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. |
|---|---|---|---|---|---|
| — | — | 3.36 | 0.0000 | -2.613 | — |
| Pmn21 (No. 31) | orthorhombic | 2.09 | 0.0000 | -7.465 | 3.05 |
| Pnma (No. 62) | orthorhombic | 3.07 | 0.0002 | -7.465 | 3.02 |
| Pmn21 (No. 31) | orthorhombic | 2.33 | 0.0004 | -2.409 | — |
| Pc (No. 7) | monoclinic | 1.96 | 0.0053 | -7.459 | 2.99 |
| P21/c (No. 14) | monoclinic | 2.88 | 0.0089 | -7.456 | 2.96 |
| Pna21 (No. 33) | orthorhombic | 2.96 | 0.0096 | -7.455 | 2.96 |
| Pnma (No. 62) | orthorhombic | 2.88 | 0.0108 | -7.454 | 3.01 |
| Pna21 (No. 33) | orthorhombic | 2.88 | 0.0114 | -7.453 | 2.99 |
| C2221 (No. 20) | orthorhombic | 2.96 | 0.0138 | -7.451 | 2.89 |
| I-42m (No. 121) | tetragonal | 1.89 | 0.0145 | -2.395 | — |
| I-42m (No. 121) | tetragonal | 2.74 | 0.0183 | -7.446 | 3.06 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Li2MnSiO4.
Applications
Where Li2MnSiO4 is used.
Frequently Asked Questions
Common questions about Li2MnSiO4, answered from cross-validated data.
What is Li2MnSiO4?
Li2MnSiO4 is a thermodynamically stable lithium manganese silicate used primarily as a candidate material for high-performance lithium-ion battery cathodes.
What is Li2MnSiO4 used for?
What is the band gap of Li2MnSiO4?
Is Li2MnSiO4 a metal, semiconductor, or insulator?
Is Li2MnSiO4 thermodynamically stable?
What is the crystal structure of Li2MnSiO4?
What is the density of Li2MnSiO4?
How many polymorphs of Li2MnSiO4 are known?
How is Li2MnSiO4 synthesized?
What elements does Li2MnSiO4 contain?
Where does the data for Li2MnSiO4 come from?
How It Compares
Within the spinel lithium manganese oxides class.
Within the diverse family of lithium manganese oxides, Li2MnSiO4 stands out for its silicate-based framework, which contrasts with the more traditional spinel structures like LiMn2O4 or the layered Li2MnO3. While compounds such as LiMn2O4 are well-established for their high power density, Li2MnSiO4 offers a different approach to stability by incorporating silicon to reinforce the anionic framework, distinguishing it from other manganese-rich oxides like Li5Mn3O8 or Li3Mn4O8.
Related Compounds
Other Spinel Lithium Manganese Oxides in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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