Li7SbO6
Li7SbO6 is a lithium-rich insulating oxide that is considered thermodynamically accessible for synthesis.
About Li7SbO6
Li7SbO6 is a lithium-rich oxide characterized by its wide-band-gap insulating nature. Its structural arrangement places it near the thermodynamic stability hull, suggesting it is a viable candidate for synthesis and experimental investigation within the lithium oxide family. The compound serves as a point of interest for researchers studying ion-conducting frameworks and solid-state chemistry. Its electronic properties and composition make it a distinct subject for exploring the behavior of lithium-rich ternary oxides in various electrochemical environments.
Key Properties
Cross-validated computational properties for Li7SbO6, 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 Li7SbO6. 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 Li7SbO6, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 3.68 | 0.0068 | -2.051 | — |
| P1 (No. 1) | triclinic | 3.45 | 0.0087 | -5.530 | 3.54 |
| R3 (No. 146) | trigonal | 3.50 | 0.0225 | -5.516 | 3.28 |
| R3 (No. 146) | trigonal | 3.72 | 0.0239 | -2.034 | — |
| — | — | 3.98 | 0.0253 | -2.031 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.47 |
| P1 (No. 1) | triclinic | — | — | — | 3.49 |
| R3 (No. 146) | trigonal | — | — | — | 3.49 |
| P1 (No. 1) | triclinic | — | — | — | 3.36 |
| P1 (No. 1) | triclinic | — | — | — | 3.54 |
| R3 (No. 146) | trigonal | — | — | — | 3.46 |
| R3 (No. 146) | trigonal | — | — | — | 3.28 |
Applications
Where Li7SbO6 is used.
Frequently Asked Questions
Common questions about Li7SbO6, answered from cross-validated data.
What is Li7SbO6?
Li7SbO6 is a lithium-rich insulating oxide that is considered thermodynamically accessible for synthesis.
What is Li7SbO6 used for?
What is the band gap of Li7SbO6?
Is Li7SbO6 a metal, semiconductor, or insulator?
Is Li7SbO6 thermodynamically stable?
What is the crystal structure of Li7SbO6?
What is the density of Li7SbO6?
How many polymorphs of Li7SbO6 are known?
What elements does Li7SbO6 contain?
Where does the data for Li7SbO6 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials LiCoO2 and LiMn2O4, which are known for their redox-active transition metals, Li7SbO6 functions primarily as an insulating oxide. While siblings like Li2O represent simple binary oxides, Li7SbO6 offers a more complex structural landscape that differentiates it from the common layered or spinel structures found in standard battery materials.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- 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)
- 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)
- 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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