Li2Si2O5
Lithium disilicate · Lithium silicate glass-ceramic
Lithium disilicate is a stable, insulating lithium silicate ceramic prized for its exceptional mechanical strength and use in restorative dentistry.
About Lithium disilicate
Lithium disilicate is a thermodynamically stable lithium oxide that functions as a wide-gap insulator. Its robust structural framework and chemical stability make it a highly reliable material for demanding engineering and medical environments.
Because of its unique ability to be processed into glass-ceramics, this compound is widely utilized where high mechanical strength and aesthetic translucency are required. It serves as a cornerstone in modern materials science for applications requiring durable, non-conductive ceramic components.
Key Properties
Cross-validated computational properties for Lithium disilicate, 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 Li2Si2O5. 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 Li2Si2O5, 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. |
|---|---|---|---|---|---|
| — | — | 5.64 | 0.0000 | -2.864 | — |
| Ccc2 (No. 37) | orthorhombic | 5.15 | 0.0000 | -7.395 | 2.47 |
| Ccc2 (No. 37) | orthorhombic | 5.37 | 0.0001 | -2.775 | — |
| — | — | 5.43 | 0.0009 | -2.863 | — |
| Pbcn (No. 60) | orthorhombic | 5.24 | 0.0049 | -7.390 | 2.52 |
| — | — | 5.77 | 0.0066 | -2.857 | — |
| — | — | 2.06 | 0.3763 | -2.488 | — |
| — | — | 0.00 | 1.6241 | -1.240 | — |
| Cc (No. 9) | monoclinic | — | — | — | 2.44 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 2.50 |
| Ccc2 (No. 37) | orthorhombic | — | — | — | 2.36 |
| Ccc2 (No. 37) | orthorhombic | — | — | — | 2.47 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Li2Si2O5.
Applications
Where Lithium disilicate is used.
Frequently Asked Questions
Common questions about Lithium disilicate, answered from cross-validated data.
What is Li2Si2O5?
Lithium disilicate is a stable, insulating lithium silicate ceramic prized for its exceptional mechanical strength and use in restorative dentistry.
What is Li2Si2O5 used for?
What is the band gap of Li2Si2O5?
Is Li2Si2O5 a metal, semiconductor, or insulator?
Is Li2Si2O5 thermodynamically stable?
What is the crystal structure of Li2Si2O5?
What is the density of Li2Si2O5?
How many polymorphs of Li2Si2O5 are known?
How is Li2Si2O5 synthesized?
What elements does Li2Si2O5 contain?
Where does the data for Li2Si2O5 come from?
How It Compares
Within the lithium oxides class.
Unlike the transition-metal-based lithium oxides such as LiCoO2 or LiMn2O4, which are primarily valued for their electrochemical activity in battery cathodes, Li2Si2O5 acts as a stable structural ceramic. While it shares the lithium-rich oxide classification with compounds like Li2O and Li4SiO4, its silicate-based network provides superior mechanical properties and chemical resistance compared to the more reactive or ionic lithium-rich oxides.
Related Compounds
Other Lithium 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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