LiSbO2
LiSbO2 is a thermodynamically stable, wide-band-gap insulating lithium oxide compound.
About LiSbO2
LiSbO2 is a thermodynamically stable member of the lithium oxide family, characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull indicates a robust structural integrity that makes it a subject of interest for fundamental solid-state research.
As a data-rich material with numerous reported structures, it serves as an important reference point for understanding the coordination chemistry of lithium and antimony within oxygen frameworks. Its insulating nature distinguishes it from the more conductive lithium metal oxides often utilized in electrochemical energy storage.
Key Properties
Cross-validated computational properties for LiSbO2, 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 LiSbO2. 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 LiSbO2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.63 | 0.0000 | -5.976 | 4.40 |
| — | — | 2.98 | 0.0000 | -1.853 | — |
| C2/c (No. 15) | monoclinic | 2.26 | 0.0241 | -1.730 | — |
| C2/c (No. 15) | monoclinic | 2.04 | 0.0387 | -5.938 | 4.30 |
| — | — | 0.42 | 0.4482 | -1.405 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.58 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.17 |
| P21/m (No. 11) | monoclinic | — | — | — | 2.62 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.16 |
| P-1 (No. 2) | triclinic | — | — | — | 4.22 |
| P21/m (No. 11) | monoclinic | — | — | — | 5.84 |
| P-1 (No. 2) | triclinic | — | — | — | 5.29 |
Applications
Where LiSbO2 is used.
Frequently Asked Questions
Common questions about LiSbO2, answered from cross-validated data.
What is LiSbO2?
LiSbO2 is a thermodynamically stable, wide-band-gap insulating lithium oxide compound.
What is LiSbO2 used for?
What is the band gap of LiSbO2?
Is LiSbO2 a metal, semiconductor, or insulator?
Is LiSbO2 thermodynamically stable?
What is the crystal structure of LiSbO2?
What is the density of LiSbO2?
How many polymorphs of LiSbO2 are known?
What elements does LiSbO2 contain?
Where does the data for LiSbO2 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials LiCoO2 and LiNiO2, which are prized for their high electronic and ionic conductivity, LiSbO2 functions primarily as a stable insulating oxide. While its siblings like Li2O or Li4SiO4 are often studied for their roles in electrolyte or ceramic systems, LiSbO2 offers a distinct structural chemistry that contrasts with the redox-active transition metal oxides in this class.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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