Li3CuSbO5
Li3CuSbO5 is a semiconducting quaternary oxide that is considered thermodynamically accessible for experimental synthesis.
About Li3CuSbO5
Li3CuSbO5 is a complex quaternary oxide composed of lithium, copper, antimony, and oxygen. As a semiconducting material, it occupies a unique position in solid-state chemistry, offering distinct electronic properties that arise from its specific elemental combination and structural arrangement. Its thermodynamic profile indicates that it sits near the stability hull, making it a promising candidate for experimental realization and further characterization in materials science research. Given the existence of multiple reported structures across various databases, this compound serves as a significant subject for studies into the synthesis and stability of complex lithium-based oxides. Its potential for semiconducting behavior makes it an intriguing material for applications where tunable electronic properties are required, particularly in the development of advanced functional ceramics or battery-related materials.
Key Properties
Cross-validated computational properties for Li3CuSbO5, 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.
Reported Structures
Lowest-energy structures reported for Li3CuSbO5, 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 | 0.43 | 0.0210 | -5.808 | 4.77 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.91 |
| P1 (No. 1) | Triclinic | — | — | — | 4.77 |
| P1 (No. 1) | Triclinic | — | — | — | 5.03 |
Applications
Where Li3CuSbO5 is used.
Frequently Asked Questions
Common questions about Li3CuSbO5, answered from cross-validated data.
What is Li3CuSbO5?
Li3CuSbO5 is a semiconducting quaternary oxide that is considered thermodynamically accessible for experimental synthesis.
What is Li3CuSbO5 used for?
What is the band gap of Li3CuSbO5?
Is Li3CuSbO5 a metal, semiconductor, or insulator?
Is Li3CuSbO5 thermodynamically stable?
What is the crystal structure of Li3CuSbO5?
What is the density of Li3CuSbO5?
How many polymorphs of Li3CuSbO5 are known?
What elements does Li3CuSbO5 contain?
Where does the data for Li3CuSbO5 come from?
How It Compares
As a quaternary oxide, Li3CuSbO5 represents a specialized structural motif within the broader landscape of lithium-copper-antimony-oxygen compounds. While many similar oxides are often studied for their ionic conductivity or magnetic properties, this specific stoichiometry highlights the structural diversity possible when balancing these four elements, positioning it as a distinct entry in the catalog of synthesizable semiconducting oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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