Li4NbCo3O8
This compound is a complex oxide containing lithium, niobium, and cobalt. It is primarily investigated in materials science research as a potential electrode material for advanced energy storage systems.
Overview
Key Properties
Cross-validated computational properties for Li4NbCo3O8, 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.
0.19–1.42 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.
0.063 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.
12
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li4NbCo3O8, 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/c (No. 15) | monoclinic | 0.81 | 0.0625 | -6.970 | 4.57 |
| C2/m (No. 12) | monoclinic | 0.62 | 0.0643 | -6.969 | 4.58 |
| P-1 (No. 2) | triclinic | 0.44 | 0.0663 | -6.967 | 4.58 |
| P1 (No. 1) | triclinic | 1.42 | 0.0733 | -6.960 | 3.73 |
| R-3m (No. 166) | trigonal | 0.19 | 0.0850 | -6.948 | 4.64 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.64 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.12 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.95 |
| R-3m (No. 166) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.73 |
| P1 (No. 1) | Triclinic | — | — | — | 3.94 |
| P1 (No. 1) | Triclinic | — | — | — | 3.87 |
Uses
Applications
Where Li4NbCo3O8 is used.
Lithium-ion battery researchSolid-state electrolyte developmentElectrochemical energy storage studies
Reference
Frequently Asked Questions
Common questions about Li4NbCo3O8, answered from cross-validated data.
What is Li4NbCo3O8?
This compound is a complex oxide containing lithium, niobium, and cobalt. It is primarily investigated in materials science research as a potential electrode material for advanced energy storage systems.
More questions
What is Li4NbCo3O8 used for?
Li4NbCo3O8 is used in lithium-ion battery research, solid-state electrolyte development, and electrochemical energy storage studies.
What is the band gap of Li4NbCo3O8?
Li4NbCo3O8 has a DFT-computed band gap of 0.19–1.42 eV across 12 reported structures.
Is Li4NbCo3O8 a metal, semiconductor, or insulator?
With a band gap up to 1.42 eV it is a semiconductor.
Is Li4NbCo3O8 thermodynamically stable?
Li4NbCo3O8 has a lowest energy above hull of 0.063 eV/atom (metastable).
What is the crystal structure of Li4NbCo3O8?
The lowest-energy reported polymorph of Li4NbCo3O8 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Li4NbCo3O8?
The computed density of the ground-state structure of Li4NbCo3O8 is 4.57 g/cm³.
How many polymorphs of Li4NbCo3O8 are known?
12 structures of Li4NbCo3O8 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Li4NbCo3O8 contain?
Li4NbCo3O8 contains Co, Li, Nb, and O (4 elements).
Where does the data for Li4NbCo3O8 come from?
Li4NbCo3O8 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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