Li5V2Ni5O12
This complex oxide is a lithium-containing transition metal material primarily investigated for its electrochemical properties. It is studied as a potential electrode material for advanced energy storage systems due to its ability to facilitate ion transport.
Overview
Key Properties
Cross-validated computational properties for Li5V2Ni5O12, 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.
1.25 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.
0.073 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.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Li5V2Ni5O12, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 1.25 | 0.0728 | -6.729 | 4.78 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.78 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.06 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.94 |
| C2 (No. 5) | — | — | — | — | — |
Uses
Applications
Where Li5V2Ni5O12 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about Li5V2Ni5O12, answered from cross-validated data.
What is Li5V2Ni5O12?
This complex oxide is a lithium-containing transition metal material primarily investigated for its electrochemical properties. It is studied as a potential electrode material for advanced energy storage systems due to its ability to facilitate ion transport.
What is Li5V2Ni5O12 used for?
Li5V2Ni5O12 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of Li5V2Ni5O12?
Li5V2Ni5O12 has a DFT-computed band gap of 1.25 eV across 5 reported structures.
Is Li5V2Ni5O12 a metal, semiconductor, or insulator?
With a band gap up to 1.25 eV it is a semiconductor.
Is Li5V2Ni5O12 thermodynamically stable?
Li5V2Ni5O12 has a lowest energy above hull of 0.073 eV/atom (metastable).
What is the crystal structure of Li5V2Ni5O12?
The lowest-energy reported polymorph of Li5V2Ni5O12 is monoclinic symmetry, space group C2 (No. 5).
What is the density of Li5V2Ni5O12?
The computed density of the ground-state structure of Li5V2Ni5O12 is 4.78 g/cm³.
How many polymorphs of Li5V2Ni5O12 are known?
5 structures of Li5V2Ni5O12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li5V2Ni5O12 contain?
Li5V2Ni5O12 contains Li, Ni, O, and V (4 elements).
Where does the data for Li5V2Ni5O12 come from?
Li5V2Ni5O12 data is cross-referenced from materials_project, mpaloe, jarvis.
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Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
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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