LiSbO3
LiSbO3 is a thermodynamically stable semiconducting lithium oxide that exists in numerous structural forms.
About LiSbO3
LiSbO3 is a thermodynamically stable member of the lithium oxide family, characterized by its semiconducting electronic nature. As a robust material residing on the convex hull, it represents a well-defined structural phase that has been extensively documented across multiple crystallographic databases.
This compound is of significant interest in materials science due to its stable framework and potential for ion mobility. Its structural versatility, evidenced by a wide variety of reported configurations, makes it a subject of ongoing investigation for applications requiring stable lithium-based oxide matrices.
Key Properties
Cross-validated computational properties for LiSbO3, 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 LiSbO3. 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 LiSbO3, 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. |
|---|---|---|---|---|---|
| — | — | 2.52 | 0.0000 | -1.955 | — |
| Pnna (No. 52) | orthorhombic | 2.31 | 0.0000 | -1.829 | — |
| Pnna (No. 52) | orthorhombic | 2.14 | 0.0000 | -6.295 | 5.45 |
| — | — | 2.89 | 0.0011 | -1.954 | — |
| — | — | 3.14 | 0.0129 | -1.942 | — |
| C2/m (No. 12) | monoclinic | 2.65 | 0.0162 | -6.278 | 5.09 |
| — | — | 2.32 | 0.0349 | -1.920 | — |
| — | — | 2.40 | 0.0490 | -1.906 | — |
| — | — | 2.35 | 0.0542 | -1.901 | — |
| C2/m (No. 12) | monoclinic | 2.75 | 0.0586 | -6.236 | 5.02 |
| P213 (No. 198) | cubic | 1.34 | 0.0788 | -1.750 | — |
| P213 (No. 198) | cubic | 1.19 | 0.0888 | -6.206 | 5.38 |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiSbO3.
Applications
Where LiSbO3 is used.
Patent Landscape
1 patent reference LiSbO3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 10202510 | Pigments based on LiSbO3 and LiNbO3 related structures | — | — |
Frequently Asked Questions
Common questions about LiSbO3, answered from cross-validated data.
What is LiSbO3?
LiSbO3 is a thermodynamically stable semiconducting lithium oxide that exists in numerous structural forms.
What is LiSbO3 used for?
What is the band gap of LiSbO3?
Is LiSbO3 a metal, semiconductor, or insulator?
Is LiSbO3 thermodynamically stable?
What is the crystal structure of LiSbO3?
How many polymorphs of LiSbO3 are known?
How is LiSbO3 synthesized?
What elements does LiSbO3 contain?
Where does the data for LiSbO3 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials LiCoO2 and LiMn2O4, which are primarily valued for their electrochemical redox activity in batteries, LiSbO3 serves as a distinct structural variant within the broader class of lithium oxides. While siblings like Li2O act as simple binary oxides, LiSbO3 offers a more complex ternary framework that provides unique geometric arrangements for lithium ions.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze LiSbO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →