LiCoSnO4
LiCoSnO4 is a semiconducting, metastable layered oxide containing lithium, cobalt, tin, and oxygen, studied primarily for its potential role in battery technology.
About LiCoSnO4
LiCoSnO4 is a complex quaternary oxide belonging to the layered lithium transition-metal oxide family. As a semiconducting material, it represents a unique intersection of lithium-ion chemistry and multimetallic oxide frameworks, attracting interest for its potential in electrochemical energy storage systems.
While identified as a metastable phase, the compound is supported by a significant body of structural data across multiple databases. Its specific arrangement of lithium, cobalt, tin, and oxygen atoms makes it a subject of ongoing investigation for researchers looking to optimize cathode performance and structural stability in next-generation battery architectures.
Key Properties
Cross-validated computational properties for LiCoSnO4, 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 LiCoSnO4. 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 LiCoSnO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.77 | 0.0445 | -1.695 | — |
| Imma (No. 74) | orthorhombic | 0.77 | 0.0445 | -1.695 | — |
| Imma (No. 74) | orthorhombic | 0.77 | 0.0578 | -6.535 | 5.53 |
| C2/m (No. 12) | monoclinic | 0.98 | 0.0603 | -6.532 | 5.04 |
| C2/m (No. 12) | monoclinic | 0.80 | 0.0612 | -6.531 | 5.05 |
| Imma (No. 74) | orthorhombic | 0.91 | 0.0617 | -1.678 | — |
| C2/c (No. 15) | monoclinic | 0.80 | 0.0617 | -6.531 | 5.06 |
| Imma (No. 74) | orthorhombic | 0.91 | 0.0618 | -1.677 | — |
| C2/c (No. 15) | monoclinic | 1.95 | 0.0687 | -6.524 | 5.02 |
| Imma (No. 74) | orthorhombic | 0.37 | 0.0693 | -6.523 | 5.31 |
| P4322 (No. 95) | tetragonal | 1.22 | 0.0976 | -6.495 | 5.18 |
| Imma (No. 74) | orthorhombic | 1.02 | 0.1046 | -1.635 | — |
Applications
Where LiCoSnO4 is used.
Frequently Asked Questions
Common questions about LiCoSnO4, answered from cross-validated data.
What is LiCoSnO4?
LiCoSnO4 is a semiconducting, metastable layered oxide containing lithium, cobalt, tin, and oxygen, studied primarily for its potential role in battery technology.
What is LiCoSnO4 used for?
What is the band gap of LiCoSnO4?
Is LiCoSnO4 a metal, semiconductor, or insulator?
Is LiCoSnO4 thermodynamically stable?
What is the crystal structure of LiCoSnO4?
How many polymorphs of LiCoSnO4 are known?
What elements does LiCoSnO4 contain?
Where does the data for LiCoSnO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broader class of layered lithium transition-metal oxides, LiCoSnO4 occupies a niche position compared to widely commercialized counterparts like LiCoO2 or LiMn2O4. Unlike these stable, high-capacity standards, LiCoSnO4 introduces tin into the lattice, which alters the electronic and structural landscape, offering a different pathway for ion diffusion and redox activity compared to traditional binary or ternary transition-metal oxides.
Related Compounds
Other Layered Lithium Transition-Metal 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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