Li5SbO5
Li5SbO5 is a thermodynamically stable lithium oxide semiconductor that serves as a structurally diverse member of the lithium oxide material class.
About Li5SbO5
Li5SbO5 is a complex lithium oxide characterized by its semiconducting electronic nature. As a material that resides on the thermodynamic convex hull, it exhibits significant structural stability, making it a subject of interest for researchers investigating lithium-rich oxide systems.
Its existence across multiple structural configurations highlights its versatility within the broader family of lithium oxides. This stability and electronic profile suggest potential utility in electrochemical applications where robust, ion-conducting frameworks are required.
Key Properties
Cross-validated computational properties for Li5SbO5, 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 Li5SbO5. 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 Li5SbO5, 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. |
|---|---|---|---|---|---|
| — | — | 3.38 | 0.0000 | -2.078 | — |
| C2/m (No. 12) | monoclinic | 3.12 | 0.0000 | -2.050 | — |
| C2/m (No. 12) | monoclinic | 2.91 | 0.0000 | -5.690 | 3.72 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.70 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.66 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.72 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.53 |
Applications
Where Li5SbO5 is used.
Frequently Asked Questions
Common questions about Li5SbO5, answered from cross-validated data.
What is Li5SbO5?
Li5SbO5 is a thermodynamically stable lithium oxide semiconductor that serves as a structurally diverse member of the lithium oxide material class.
What is Li5SbO5 used for?
What is the band gap of Li5SbO5?
Is Li5SbO5 a metal, semiconductor, or insulator?
Is Li5SbO5 thermodynamically stable?
What is the crystal structure of Li5SbO5?
How many polymorphs of Li5SbO5 are known?
What elements does Li5SbO5 contain?
Where does the data for Li5SbO5 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials such as LiCoO2 or LiMn2O4, which are primarily valued for their reversible redox chemistry in battery systems, Li5SbO5 occupies a more specialized niche as a stable, semiconducting oxide. While compounds like Li2O serve as fundamental building blocks or precursors, Li5SbO5 offers a more intricate structural arrangement that distinguishes it from simpler binary oxides or the transition-metal-heavy layered oxides commonly found in commercial energy storage.
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)
- 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.
Analyze Li5SbO5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →