Na4CoO3
Na4CoO3 is a stable, semiconducting layered oxide material used in the research and development of sodium-based energy storage technologies.
About Na4CoO3
Na4CoO3 is a member of the layered sodium transition-metal oxide family, characterized by its semiconducting electronic structure. As a thermodynamically stable phase residing on the convex hull, it represents a robust material candidate for advanced electrochemical energy storage systems.
Its structural integrity makes it a significant subject for researchers investigating ion transport and electrode performance. By leveraging its unique arrangement of sodium, cobalt, and oxygen, this compound serves as a foundational material for developing next-generation battery architectures.
Key Properties
Cross-validated computational properties for Na4CoO3, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Na4CoO3, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 1.15 | 0.0000 | -4.882 | 2.89 |
| Cc (No. 9) | — | — | — | — | — |
| Cc (No. 9) | Monoclinic | — | — | — | 2.73 |
| Cc (No. 9) | Monoclinic | — | — | — | 2.85 |
| Cc (No. 9) | Monoclinic | — | — | — | 2.83 |
| Cc (No. 9) | — | — | — | — | — |
Applications
Where Na4CoO3 is used.
Frequently Asked Questions
Common questions about Na4CoO3, answered from cross-validated data.
What is Na4CoO3?
Na4CoO3 is a stable, semiconducting layered oxide material used in the research and development of sodium-based energy storage technologies.
What is Na4CoO3 used for?
What is the band gap of Na4CoO3?
Is Na4CoO3 a metal, semiconductor, or insulator?
Is Na4CoO3 thermodynamically stable?
What is the crystal structure of Na4CoO3?
What is the density of Na4CoO3?
How many polymorphs of Na4CoO3 are known?
What elements does Na4CoO3 contain?
Where does the data for Na4CoO3 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse family of layered sodium transition-metal oxides, Na4CoO3 distinguishes itself from more common cathode materials like NaCoO2 by its unique stoichiometry and structural configuration. While siblings such as Na2CoO3 and Na2FeO3 are frequently explored for their electrochemical activity, Na4CoO3 provides a distinct structural template that contributes to the broader understanding of phase stability in alkali-rich transition metal systems.
Related Compounds
Other Layered Sodium 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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