LiVSnO4
This compound is a complex oxide containing lithium, vanadium, tin, and oxygen. It is primarily investigated as an electrode material for advanced energy storage systems due to its structural properties.
LiOSnV
Overview
Key Properties
Cross-validated computational properties for LiVSnO4, 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.
1.45 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiVSnO4, 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 | 1.45 | 0.0000 | -7.302 | 4.72 |
| P4322 (No. 95) | tetragonal | 0.00 | 0.1449 | -7.157 | 4.93 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.72 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.12 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.91 |
| Imma (No. 74) | — | — | — | — | — |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.93 |
| P4322 (No. 95) | Tetragonal | — | — | — | 5.28 |
| P4322 (No. 95) | Tetragonal | — | — | — | 5.12 |
Uses
Applications
Where LiVSnO4 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about LiVSnO4, answered from cross-validated data.
What is LiVSnO4?
This compound is a complex oxide containing lithium, vanadium, tin, and oxygen. It is primarily investigated as an electrode material for advanced energy storage systems due to its structural properties.
More questions
What is LiVSnO4 used for?
LiVSnO4 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of LiVSnO4?
LiVSnO4 has a DFT-computed band gap of 1.45 eV across 9 reported structures.
Is LiVSnO4 a metal, semiconductor, or insulator?
With a band gap up to 1.45 eV it is a semiconductor.
Is LiVSnO4 thermodynamically stable?
Yes — LiVSnO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiVSnO4?
The lowest-energy reported polymorph of LiVSnO4 is orthorhombic symmetry, space group Imma (No. 74).
What is the density of LiVSnO4?
The computed density of the ground-state structure of LiVSnO4 is 4.72 g/cm³.
How many polymorphs of LiVSnO4 are known?
9 structures of LiVSnO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiVSnO4 contain?
LiVSnO4 contains Li, O, Sn, and V (4 elements).
Where does the data for LiVSnO4 come from?
LiVSnO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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