LiVGaO4
This compound is a complex oxide containing lithium, vanadium, gallium, and oxygen. It is primarily studied in materials science research for its potential role in advanced electronic or electrochemical systems.
GaLiOV
Overview
Key Properties
Cross-validated computational properties for LiVGaO4, 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.
1.46–1.70 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.
0.058 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.
13
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiVGaO4, 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 | 1.46 | 0.0582 | -7.213 | 4.27 |
| C2/c (No. 15) | monoclinic | 1.48 | 0.0640 | -7.207 | 4.27 |
| P-1 (No. 2) | triclinic | 1.65 | 0.0641 | -7.207 | 4.27 |
| C2/m (No. 12) | monoclinic | 1.70 | 0.0658 | -7.205 | 4.27 |
| Imma (No. 74) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.27 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.43 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.62 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.27 |
Uses
Applications
Where LiVGaO4 is used.
Materials science researchSolid-state chemistry studiesExperimental battery electrode development
Reference
Frequently Asked Questions
Common questions about LiVGaO4, answered from cross-validated data.
What is LiVGaO4?
This compound is a complex oxide containing lithium, vanadium, gallium, and oxygen. It is primarily studied in materials science research for its potential role in advanced electronic or electrochemical systems.
More questions
What is LiVGaO4 used for?
LiVGaO4 is used in materials science research, solid-state chemistry studies, and experimental battery electrode development.
What is the band gap of LiVGaO4?
LiVGaO4 has a DFT-computed band gap of 1.46–1.70 eV across 13 reported structures.
Is LiVGaO4 a metal, semiconductor, or insulator?
With a band gap up to 1.70 eV it is a semiconductor.
Is LiVGaO4 thermodynamically stable?
LiVGaO4 has a lowest energy above hull of 0.058 eV/atom (metastable).
What is the crystal structure of LiVGaO4?
The lowest-energy reported polymorph of LiVGaO4 is orthorhombic symmetry, space group Imma (No. 74).
What is the density of LiVGaO4?
The computed density of the ground-state structure of LiVGaO4 is 4.27 g/cm³.
How many polymorphs of LiVGaO4 are known?
13 structures of LiVGaO4 are reported across 3 databases, spanning 5 distinct space groups.
What elements does LiVGaO4 contain?
LiVGaO4 contains Ga, Li, O, and V (4 elements).
Where does the data for LiVGaO4 come from?
LiVGaO4 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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