LiCuSbO4
LiCuSbO4 is a metastable semiconducting quaternary oxide containing lithium, copper, antimony, and oxygen.
About LiCuSbO4
LiCuSbO4 is a complex quaternary oxide composed of lithium, copper, antimony, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental solid-state studies and potential functional applications. Its existence as a metastable phase suggests a delicate balance of structural arrangements that can be explored through various synthetic pathways.
Given its status as a data-rich compound with multiple reported structures, this material serves as a valuable case study for understanding phase stability in multi-component oxide systems. Researchers investigate such compounds to better understand how transition metals and main-group elements interact within a crystal lattice to influence electronic behavior.
Key Properties
Cross-validated computational properties for LiCuSbO4, aggregated across 2 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 LiCuSbO4. 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 LiCuSbO4, 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 (No. 4) | monoclinic | 0.50 | 0.0337 | -6.024 | 5.32 |
| Imma (No. 74) | orthorhombic | 0.34 | 0.0414 | -6.017 | 5.20 |
| Imma (No. 74) | orthorhombic | 0.50 | 0.0598 | -1.456 | — |
| P4322 (No. 95) | tetragonal | 0.00 | 0.1105 | -5.947 | 5.31 |
| P21 (No. 4) | monoclinic | — | — | — | 5.52 |
| P4322 (No. 95) | tetragonal | — | — | — | 5.72 |
| P21 (No. 4) | monoclinic | — | — | — | 5.32 |
| P4322 (No. 95) | tetragonal | — | — | — | 5.53 |
| P4322 (No. 95) | tetragonal | — | — | — | 5.31 |
| P21 (No. 4) | monoclinic | — | — | — | 5.72 |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiCuSbO4.
Applications
Where LiCuSbO4 is used.
Frequently Asked Questions
Common questions about LiCuSbO4, answered from cross-validated data.
What is LiCuSbO4?
LiCuSbO4 is a metastable semiconducting quaternary oxide containing lithium, copper, antimony, and oxygen.
What is LiCuSbO4 used for?
What is the band gap of LiCuSbO4?
Is LiCuSbO4 a metal, semiconductor, or insulator?
Is LiCuSbO4 thermodynamically stable?
What is the crystal structure of LiCuSbO4?
What is the density of LiCuSbO4?
How many polymorphs of LiCuSbO4 are known?
How is LiCuSbO4 synthesized?
What elements does LiCuSbO4 contain?
Where does the data for LiCuSbO4 come from?
How It Compares
As a unique quaternary oxide, LiCuSbO4 occupies a specialized niche in materials science where the interplay between copper and antimony within an oxygen framework dictates its semiconducting nature. Unlike more common binary or ternary oxides, this compound represents a complex structural challenge, serving as a distinct example of metastable phase formation in multi-element systems.
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)
- 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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