Li2CuSbO5
Li2CuSbO5 is a metastable semiconducting quaternary oxide containing lithium, copper, and antimony.
About Li2CuSbO5
Li2CuSbO5 is a complex quaternary oxide composed of lithium, copper, antimony, and oxygen. As a semiconducting material, it represents an interesting subject for solid-state chemistry research, particularly regarding the coordination environments of its constituent transition metals and main-group elements.
Due to its metastable nature, this compound is a focus for studies on phase stability and structural transformation. Its existence across multiple reported structures suggests a rich configurational landscape, making it a valuable target for researchers investigating complex oxide frameworks.
Key Properties
Cross-validated computational properties for Li2CuSbO5, 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 Li2CuSbO5, 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 | 0.31 | 0.0647 | -5.844 | 4.60 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.90 |
| P1 (No. 1) | Triclinic | — | — | — | 4.60 |
| P1 (No. 1) | Triclinic | — | — | — | 4.75 |
Applications
Where Li2CuSbO5 is used.
Frequently Asked Questions
Common questions about Li2CuSbO5, answered from cross-validated data.
What is Li2CuSbO5?
Li2CuSbO5 is a metastable semiconducting quaternary oxide containing lithium, copper, and antimony.
What is Li2CuSbO5 used for?
What is the band gap of Li2CuSbO5?
Is Li2CuSbO5 a metal, semiconductor, or insulator?
Is Li2CuSbO5 thermodynamically stable?
What is the crystal structure of Li2CuSbO5?
What is the density of Li2CuSbO5?
How many polymorphs of Li2CuSbO5 are known?
What elements does Li2CuSbO5 contain?
Where does the data for Li2CuSbO5 come from?
How It Compares
As a unique quaternary oxide, Li2CuSbO5 occupies a specialized niche within the broader landscape of semiconducting oxides. While many oxides in this category are highly stable, the metastable character of this compound distinguishes it, offering potential for tunable electronic properties that are not accessible in more thermodynamically favored structures.
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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