Li2CuSnO4
Li2CuSnO4 is a metastable semiconducting quaternary oxide containing lithium, copper, tin, and oxygen.
About Li2CuSnO4
Li2CuSnO4 is a complex quaternary oxide composed of lithium, copper, tin, and oxygen. As a semiconducting material, it represents a unique intersection of transition metal and main group chemistry within an oxide framework.
Because it exists in a metastable state, this compound is of significant interest for researchers studying phase stability and structural transformations. Its diverse structural landscape, documented across multiple databases, highlights its complexity and the potential for tuning its properties for specialized electronic applications.
Key Properties
Cross-validated computational properties for Li2CuSnO4, 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 Li2CuSnO4. 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 Li2CuSnO4, 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. |
|---|---|---|---|---|---|
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.0450 | -1.673 | — |
| P2/m (No. 10) | monoclinic | 0.23 | 0.0629 | -5.806 | 5.23 |
| Imma (No. 74) | orthorhombic | 0.30 | 0.0632 | -5.806 | 5.21 |
| P2/m (No. 10) | monoclinic | 0.36 | 0.0664 | -1.651 | — |
| Imma (No. 74) | orthorhombic | 0.44 | 0.0687 | -1.649 | — |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.0759 | -5.793 | 5.39 |
| P2/m (No. 10) | monoclinic | — | — | — | 5.38 |
| Imma (No. 74) | orthorhombic | — | — | — | 5.35 |
| P2/m (No. 10) | monoclinic | — | — | — | 5.23 |
| P2/m (No. 10) | monoclinic | — | — | — | 5.50 |
| Imma (No. 74) | orthorhombic | — | — | — | 5.47 |
| Imma (No. 74) | orthorhombic | — | — | — | 5.21 |
Applications
Where Li2CuSnO4 is used.
Frequently Asked Questions
Common questions about Li2CuSnO4, answered from cross-validated data.
What is Li2CuSnO4?
Li2CuSnO4 is a metastable semiconducting quaternary oxide containing lithium, copper, tin, and oxygen.
What is Li2CuSnO4 used for?
What is the band gap of Li2CuSnO4?
Is Li2CuSnO4 a metal, semiconductor, or insulator?
Is Li2CuSnO4 thermodynamically stable?
What is the crystal structure of Li2CuSnO4?
What is the density of Li2CuSnO4?
How many polymorphs of Li2CuSnO4 are known?
What elements does Li2CuSnO4 contain?
Where does the data for Li2CuSnO4 come from?
How It Compares
As a quaternary oxide with a unique elemental combination, Li2CuSnO4 serves as a distinct example of metastable semiconducting materials. It occupies a specialized niche in materials science where the interplay between copper and tin oxidation states dictates its electronic behavior, distinguishing it from more common, highly stable binary or ternary oxides.
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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