Li8CeO6
Li8CeO6 is a semiconducting lithium oxide compound that is considered theoretically stable and a candidate for experimental synthesis.
About Li8CeO6
Li8CeO6 is a semiconducting member of the lithium oxide family that occupies a position near the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis. Its unique structural configuration distinguishes it within the broader landscape of lithiated oxides, offering potential for specialized electronic applications.
As a material of interest in solid-state chemistry, this compound contributes to the growing library of complex lithium-based oxides. Its electronic character and structural stability make it a subject of ongoing investigation for researchers exploring new pathways in battery-related materials and ionic conduction.
Key Properties
Cross-validated computational properties for Li8CeO6, 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 Li8CeO6. 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 Li8CeO6, 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 | 2.52 | 0.0021 | -5.827 | 3.38 |
| R-3 (No. 148) | trigonal | 2.71 | 0.0433 | -2.364 | — |
| — | — | 4.98 | 0.0992 | -2.089 | — |
| R-3 (No. 148) | trigonal | — | — | — | 3.35 |
| R-3 (No. 148) | trigonal | — | — | — | 3.37 |
| R-3 (No. 148) | trigonal | — | — | — | 3.23 |
Applications
Where Li8CeO6 is used.
Frequently Asked Questions
Common questions about Li8CeO6, answered from cross-validated data.
What is Li8CeO6?
Li8CeO6 is a semiconducting lithium oxide compound that is considered theoretically stable and a candidate for experimental synthesis.
What is Li8CeO6 used for?
What is the band gap of Li8CeO6?
Is Li8CeO6 a metal, semiconductor, or insulator?
Is Li8CeO6 thermodynamically stable?
What is the crystal structure of Li8CeO6?
What is the density of Li8CeO6?
How many polymorphs of Li8CeO6 are known?
What elements does Li8CeO6 contain?
Where does the data for Li8CeO6 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely commercialized cathode materials such as LiCoO2 or LiMn2O4, Li8CeO6 represents a more specialized structural arrangement within the lithium oxide class. While Li2O serves as a fundamental building block in this category, Li8CeO6 offers a more complex stoichiometry that differentiates it from the typical layered or spinel structures found in common battery materials like LiNiO2.
Related Compounds
Other Lithium 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Li8CeO6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →