Li2V3SbO8
This compound is a complex lithium-based oxide containing vanadium and antimony. It is primarily investigated in materials science research for its potential role as a cathode material in advanced energy storage systems.
LiOSbV
Overview
Key Properties
Cross-validated computational properties for Li2V3SbO8, 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.
1.35–2.10 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.
12
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li2V3SbO8, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.35 | 0.0000 | -7.752 | 4.32 |
| P2/c (No. 13) | monoclinic | 1.82 | 0.0036 | -7.748 | 4.30 |
| P4332 (No. 212) | cubic | 2.10 | 0.0038 | -7.748 | 4.32 |
| P63mc (No. 186) | hexagonal | 1.56 | 0.0098 | -7.742 | 4.53 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.53 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.72 |
| P2/c (No. 13) | Monoclinic | — | — | — | 4.30 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.51 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.77 |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.99 |
| P63mc (No. 186) | — | — | — | — | — |
Uses
Applications
Where Li2V3SbO8 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about Li2V3SbO8, answered from cross-validated data.
What is Li2V3SbO8?
This compound is a complex lithium-based oxide containing vanadium and antimony. It is primarily investigated in materials science research for its potential role as a cathode material in advanced energy storage systems.
More questions
What is Li2V3SbO8 used for?
Li2V3SbO8 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of Li2V3SbO8?
Li2V3SbO8 has a DFT-computed band gap of 1.35–2.10 eV across 12 reported structures.
Is Li2V3SbO8 a metal, semiconductor, or insulator?
With a band gap up to 2.10 eV it is a semiconductor.
Is Li2V3SbO8 thermodynamically stable?
Yes — Li2V3SbO8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li2V3SbO8?
The lowest-energy reported polymorph of Li2V3SbO8 is trigonal symmetry, space group R-3m (No. 166).
What is the density of Li2V3SbO8?
The computed density of the ground-state structure of Li2V3SbO8 is 4.32 g/cm³.
How many polymorphs of Li2V3SbO8 are known?
12 structures of Li2V3SbO8 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li2V3SbO8 contain?
Li2V3SbO8 contains Li, O, Sb, and V (4 elements).
Where does the data for Li2V3SbO8 come from?
Li2V3SbO8 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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