Li2VGa3O8
This compound is a complex oxide containing lithium, vanadium, and gallium. It is primarily studied in materials science research for its structural properties and potential utility in advanced electronic or electrochemical systems.
GaLiOV
Overview
Key Properties
Cross-validated computational properties for Li2VGa3O8, 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.
2.28–2.53 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.
0.072 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Li2VGa3O8, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 2.28 | 0.0722 | -6.693 | 3.52 |
| P1 (No. 1) | triclinic | 2.53 | 0.0729 | -6.693 | 3.51 |
| P1 (No. 1) | Triclinic | — | — | — | 3.51 |
| P1 (No. 1) | Triclinic | — | — | — | 3.72 |
| P1 (No. 1) | Triclinic | — | — | — | 3.60 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.52 |
| P1 (No. 1) | Triclinic | — | — | — | 3.73 |
| P1 (No. 1) | Triclinic | — | — | — | 3.61 |
Uses
Applications
Where Li2VGa3O8 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Li2VGa3O8, answered from cross-validated data.
What is Li2VGa3O8?
This compound is a complex oxide containing lithium, vanadium, and gallium. It is primarily studied in materials science research for its structural properties and potential utility in advanced electronic or electrochemical systems.
More questions
What is Li2VGa3O8 used for?
Li2VGa3O8 is used in materials science research and solid-state chemistry studies.
What is the band gap of Li2VGa3O8?
Li2VGa3O8 has a DFT-computed band gap of 2.28–2.53 eV across 11 reported structures.
Is Li2VGa3O8 a metal, semiconductor, or insulator?
With a band gap up to 2.53 eV it is a semiconductor.
Is Li2VGa3O8 thermodynamically stable?
Li2VGa3O8 has a lowest energy above hull of 0.072 eV/atom (metastable).
What is the crystal structure of Li2VGa3O8?
The lowest-energy reported polymorph of Li2VGa3O8 is triclinic symmetry, space group P1 (No. 1).
What is the density of Li2VGa3O8?
The computed density of the ground-state structure of Li2VGa3O8 is 3.52 g/cm³.
How many polymorphs of Li2VGa3O8 are known?
11 structures of Li2VGa3O8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li2VGa3O8 contain?
Li2VGa3O8 contains Ga, Li, O, and V (4 elements).
Where does the data for Li2VGa3O8 come from?
Li2VGa3O8 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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