Li2V3SnO8
Li2V3SnO8 is a stable, semiconducting quaternary oxide composed of lithium, vanadium, tin, and oxygen.
About Li2V3SnO8
Li2V3SnO8 is a complex oxide composed of lithium, vanadium, tin, and oxygen. As a thermodynamically stable phase residing on the convex hull, it exhibits significant structural robustness, which is a critical trait for materials intended for long-term functional use. Its electronic character is defined as semiconducting, making it a subject of interest for researchers investigating electronic and transport phenomena in mixed-metal oxide systems. The material is characterized by a high degree of structural diversity, supported by numerous reported entries across major materials databases. This wealth of structural data highlights its importance as a model system for understanding how transition metals and lithium ions interact within a rigid oxygen framework. Its stability and semiconducting nature suggest potential utility in energy storage or electronic device architectures where phase integrity is paramount.
Key Properties
Cross-validated computational properties for Li2V3SnO8, 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 Li2V3SnO8. 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 Li2V3SnO8, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 1.24 | 0.0000 | -7.762 | 4.48 |
| C2/c (No. 15) | monoclinic | 1.07 | 0.0177 | -7.745 | 4.28 |
| C2/m (No. 12) | monoclinic | 1.00 | 0.0181 | -7.744 | 4.29 |
| P43212 (No. 96) | tetragonal | 1.19 | 0.0201 | -7.742 | 4.31 |
| P-1 (No. 2) | triclinic | 0.91 | 0.0210 | -7.741 | 4.26 |
| P1 (No. 1) | triclinic | 0.91 | 0.0221 | -7.740 | 4.27 |
| P63mc (No. 186) | hexagonal | 0.04 | 0.0436 | -2.354 | — |
| P63mc (No. 186) | hexagonal | 0.57 | 0.0447 | -7.718 | 4.64 |
| R-3m (No. 166) | trigonal | 0.03 | 0.0451 | -7.717 | 4.28 |
| P212121 (No. 19) | orthorhombic | 0.65 | 0.0554 | -7.707 | 4.35 |
| P4332 (No. 212) | cubic | 0.03 | 0.0560 | -7.706 | 4.45 |
| Cm (No. 8) | monoclinic | 1.18 | 0.0578 | -7.704 | 4.38 |
Applications
Where Li2V3SnO8 is used.
Frequently Asked Questions
Common questions about Li2V3SnO8, answered from cross-validated data.
What is Li2V3SnO8?
Li2V3SnO8 is a stable, semiconducting quaternary oxide composed of lithium, vanadium, tin, and oxygen.
What is Li2V3SnO8 used for?
What is the band gap of Li2V3SnO8?
Is Li2V3SnO8 a metal, semiconductor, or insulator?
Is Li2V3SnO8 thermodynamically stable?
What is the crystal structure of Li2V3SnO8?
What is the density of Li2V3SnO8?
How many polymorphs of Li2V3SnO8 are known?
What elements does Li2V3SnO8 contain?
Where does the data for Li2V3SnO8 come from?
How It Compares
As a unique oxide composition, Li2V3SnO8 serves as a distinct representative of its class, offering a specific balance of vanadium and tin cations that differentiates it from simpler binary or ternary oxides. Its position on the convex hull ensures it remains a reliable baseline for studying the integration of multiple metal centers into a single crystalline lattice.
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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