Li2V3FeO8
This complex oxide is a multi-metal compound primarily investigated for its electrochemical properties in energy storage systems. It is studied as a potential electrode material due to the redox activity of its transition metal components.
FeLiOV
Overview
Key Properties
Cross-validated computational properties for Li2V3FeO8, 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.
1.03–1.28 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.
0.027 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.
24
3 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li2V3FeO8, 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. |
|---|---|---|---|---|---|
| P43 (No. 78) | tetragonal | 1.21 | 0.0268 | -7.998 | 3.85 |
| P43212 (No. 96) | tetragonal | 1.24 | 0.0289 | -7.996 | 3.85 |
| P21 (No. 4) | monoclinic | 1.05 | 0.0329 | -7.992 | 3.89 |
| Cmc21 (No. 36) | orthorhombic | 1.26 | 0.0378 | -7.987 | 3.99 |
| Cc (No. 9) | monoclinic | 1.28 | 0.0382 | -7.986 | 3.99 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0679 | -7.957 | 4.00 |
| R3m (No. 160) | trigonal | 0.00 | 0.0728 | -7.952 | 3.92 |
| P63mc (No. 186) | hexagonal | 1.03 | 0.0738 | -7.951 | 4.13 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1169 | -7.908 | 3.88 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.22 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.88 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.09 |
Uses
Applications
Where Li2V3FeO8 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about Li2V3FeO8, answered from cross-validated data.
What is Li2V3FeO8?
This complex oxide is a multi-metal compound primarily investigated for its electrochemical properties in energy storage systems. It is studied as a potential electrode material due to the redox activity of its transition metal components.
More questions
What is Li2V3FeO8 used for?
Li2V3FeO8 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of Li2V3FeO8?
Li2V3FeO8 has a DFT-computed band gap of 1.03–1.28 eV across 24 reported structures.
Is Li2V3FeO8 a metal, semiconductor, or insulator?
With a band gap up to 1.28 eV it is a semiconductor.
Is Li2V3FeO8 thermodynamically stable?
Li2V3FeO8 has a lowest energy above hull of 0.027 eV/atom (metastable).
What is the crystal structure of Li2V3FeO8?
The lowest-energy reported polymorph of Li2V3FeO8 is tetragonal symmetry, space group P43 (No. 78).
What is the density of Li2V3FeO8?
The computed density of the ground-state structure of Li2V3FeO8 is 3.85 g/cm³.
How many polymorphs of Li2V3FeO8 are known?
24 structures of Li2V3FeO8 are reported across 3 databases, spanning 9 distinct space groups.
What elements does Li2V3FeO8 contain?
Li2V3FeO8 contains Fe, Li, O, and V (4 elements).
Where does the data for Li2V3FeO8 come from?
Li2V3FeO8 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).
Analyze Li2V3FeO8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →