Na2Co3O4
Na2Co3O4 is a metastable, semiconducting layered oxide containing sodium, cobalt, and oxygen used in materials science research.
About Na2Co3O4
Na2Co3O4 is a complex layered sodium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique configuration within the broader family of sodium-based oxides, offering distinct structural pathways for ion transport and electrochemical activity.
The material is of significant interest in materials science due to its specific coordination environment and potential for tuning electronic properties. Its structural arrangement makes it a subject of ongoing investigation for applications requiring stable, layered oxide frameworks in electrochemical systems.
Key Properties
Cross-validated computational properties for Na2Co3O4, 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 Na2Co3O4, 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 | 0.94 | 0.0787 | -6.181 | 4.07 |
| Pnma (No. 62) | orthorhombic | 0.85 | 0.0806 | -6.179 | 4.20 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.07 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.35 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.28 |
Applications
Where Na2Co3O4 is used.
Frequently Asked Questions
Common questions about Na2Co3O4, answered from cross-validated data.
What is Na2Co3O4?
Na2Co3O4 is a metastable, semiconducting layered oxide containing sodium, cobalt, and oxygen used in materials science research.
What is Na2Co3O4 used for?
What is the band gap of Na2Co3O4?
Is Na2Co3O4 a metal, semiconductor, or insulator?
Is Na2Co3O4 thermodynamically stable?
What is the crystal structure of Na2Co3O4?
What is the density of Na2Co3O4?
How many polymorphs of Na2Co3O4 are known?
What elements does Na2Co3O4 contain?
Where does the data for Na2Co3O4 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse class of layered sodium transition-metal oxides, Na2Co3O4 occupies a specialized niche compared to more common members like NaCoO2 or NaMnO2. While many siblings are recognized for their robust stability and established roles in battery cathodes, Na2Co3O4 is distinguished by its metastable nature, which provides researchers with a different structural landscape for exploring ion mobility and electronic behavior.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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