Li4CuSbO6
Li4CuSbO6 is a semiconducting quaternary oxide that is considered a viable candidate for experimental synthesis due to its favorable thermodynamic stability.
About Li4CuSbO6
Li4CuSbO6 is a semiconducting quaternary oxide composed of lithium, copper, antimony, and oxygen. Its electronic structure and composition suggest potential utility in electrochemical or electronic device applications where specific semiconducting properties are required.
As a near-hull material, this compound is considered thermodynamically stable and likely synthesizable under laboratory conditions. Its presence across multiple structural databases highlights its significance as a subject of interest for researchers exploring complex oxide systems.
Key Properties
Cross-validated computational properties for Li4CuSbO6, 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 Li4CuSbO6. 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 Li4CuSbO6, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.42 | 0.0000 | -1.781 | — |
| C2/c (No. 15) | monoclinic | 0.57 | 0.0187 | -5.737 | 4.34 |
| — | — | 0.00 | 0.0383 | -1.788 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 4.34 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.50 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.63 |
Applications
Where Li4CuSbO6 is used.
Frequently Asked Questions
Common questions about Li4CuSbO6, answered from cross-validated data.
What is Li4CuSbO6?
Li4CuSbO6 is a semiconducting quaternary oxide that is considered a viable candidate for experimental synthesis due to its favorable thermodynamic stability.
What is Li4CuSbO6 used for?
What is the band gap of Li4CuSbO6?
Is Li4CuSbO6 a metal, semiconductor, or insulator?
Is Li4CuSbO6 thermodynamically stable?
What is the crystal structure of Li4CuSbO6?
How many polymorphs of Li4CuSbO6 are known?
What elements does Li4CuSbO6 contain?
Where does the data for Li4CuSbO6 come from?
How It Compares
As a unique quaternary oxide, Li4CuSbO6 occupies a distinct space in materials research. Without direct siblings in this specific class, it serves as a foundational example of how combining these four elements can yield stable, semiconducting phases that warrant further experimental investigation.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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