Li8SnO6
Li8SnO6 is a thermodynamically stable, wide-band-gap insulating oxide that serves as an important subject for structural and electronic materials research.
About Li8SnO6
Li8SnO6 is a complex oxide characterized by its wide-band-gap insulating nature. As a thermodynamically stable member of the oxide family, it sits securely on the convex hull, indicating robust structural integrity under standard conditions.
This material is of significant interest in materials science due to its unique stoichiometry and electronic properties. Its stability and structural characteristics make it a subject of ongoing research for potential applications in advanced electronic and optical systems.
Key Properties
Cross-validated computational properties for Li8SnO6, 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 Li8SnO6. 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 Li8SnO6, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 3.81 | 0.0000 | -5.408 | 3.45 |
| — | — | 4.37 | 0.0009 | -2.045 | — |
| R-3 (No. 148) | trigonal | 4.12 | 0.0024 | -2.069 | — |
| R-3 (No. 148) | trigonal | — | — | — | 3.41 |
| R-3 (No. 148) | trigonal | — | — | — | 3.28 |
| R-3 (No. 148) | trigonal | — | — | — | 3.43 |
| R-3 (No. 148) | trigonal | — | — | — | 3.44 |
Applications
Where Li8SnO6 is used.
Frequently Asked Questions
Common questions about Li8SnO6, answered from cross-validated data.
What is Li8SnO6?
Li8SnO6 is a thermodynamically stable, wide-band-gap insulating oxide that serves as an important subject for structural and electronic materials research.
What is Li8SnO6 used for?
What is the band gap of Li8SnO6?
Is Li8SnO6 a metal, semiconductor, or insulator?
Is Li8SnO6 thermodynamically stable?
What is the crystal structure of Li8SnO6?
What is the density of Li8SnO6?
How many polymorphs of Li8SnO6 are known?
What elements does Li8SnO6 contain?
Where does the data for Li8SnO6 come from?
How It Compares
Within the transparent conducting oxides class.
While many members of the transparent conducting oxide class, such as BaSnO3, are investigated for their conductive properties, Li8SnO6 distinguishes itself as a wide-gap insulator. Unlike the semiconducting nature often associated with materials like ZnO, this compound serves as a stable, insulating counterpart within the broader oxide landscape.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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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