Li2SnO3
Li2SnO3 is a thermodynamically stable, wide-band-gap lithium tin oxide used in materials research for its structural versatility.
About Li2SnO3
Li2SnO3 is a thermodynamically stable ternary oxide that sits firmly on the convex hull, indicating robust structural integrity. As a member of the oxide family, it exhibits a wide-band-gap electronic character, positioning it as an insulating material rather than a traditional conductor.
Its significance lies in its structural versatility, with multiple reported configurations across materials databases. This adaptability makes it a subject of interest for researchers investigating stable lithium-based frameworks for advanced electronic and electrochemical applications.
Key Properties
Cross-validated computational properties for Li2SnO3, 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 Li2SnO3. 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 Li2SnO3, 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. |
|---|---|---|---|---|---|
| — | — | 3.60 | 0.0000 | -2.108 | — |
| C2/c (No. 15) | monoclinic | 3.33 | 0.0000 | -2.046 | — |
| C2/c (No. 15) | monoclinic | 3.13 | 0.0000 | -6.003 | 5.05 |
| — | — | 3.60 | 0.0022 | -2.106 | — |
| — | — | 2.96 | 0.0055 | -2.102 | — |
| — | — | 0.00 | 0.0615 | -2.046 | — |
| — | — | 2.23 | 0.1138 | -1.994 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 5.01 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.98 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.82 |
| C2/c (No. 15) | monoclinic | — | — | — | 5.11 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Li2SnO3.
Applications
Where Li2SnO3 is used.
Frequently Asked Questions
Common questions about Li2SnO3, answered from cross-validated data.
What is Li2SnO3?
Li2SnO3 is a thermodynamically stable, wide-band-gap lithium tin oxide used in materials research for its structural versatility.
What is Li2SnO3 used for?
What is the band gap of Li2SnO3?
Is Li2SnO3 a metal, semiconductor, or insulator?
Is Li2SnO3 thermodynamically stable?
What is the crystal structure of Li2SnO3?
How many polymorphs of Li2SnO3 are known?
How is Li2SnO3 synthesized?
What elements does Li2SnO3 contain?
Where does the data for Li2SnO3 come from?
How It Compares
Within the transparent conducting oxides class.
While many members of the transparent conducting oxide class, such as BaSnO3, are engineered for high electrical conductivity, Li2SnO3 functions primarily as a wide-gap insulator. Unlike the conductive or semi-conductive nature of materials like ZnO or ZnGa2O4, Li2SnO3 is valued for its thermodynamic stability and structural characteristics rather than carrier mobility.
Related Compounds
Other Transparent Conducting 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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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