Na4CoO4
Na4CoO4 is a stable, semiconducting layered sodium cobalt oxide used primarily in the investigation of advanced energy storage materials.
About Na4CoO4
Na4CoO4 belongs to the class of layered sodium transition-metal oxides, characterized by its stable position on the convex hull. As a semiconducting oxide, it represents a structurally distinct arrangement of sodium, cobalt, and oxygen atoms that contributes to the broader understanding of alkali-metal intercalation chemistry.
This compound is of significant interest for energy storage applications, where its structural integrity and electronic properties are leveraged to explore efficient ion transport. Its presence in multiple databases underscores its role as a well-documented material within the family of sodium-based transition-metal frameworks.
Key Properties
Cross-validated computational properties for Na4CoO4, 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 Na4CoO4, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.26 | 0.0000 | -5.094 | 2.62 |
| P-1 (No. 2) | triclinic | 0.54 | 0.0004 | -5.094 | 2.91 |
| P-1 (No. 2) | triclinic | 0.17 | 0.0004 | -5.094 | 3.11 |
| Pc (No. 7) | monoclinic | 1.30 | 0.0043 | -5.090 | 2.63 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.91 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.05 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.02 |
Applications
Where Na4CoO4 is used.
Frequently Asked Questions
Common questions about Na4CoO4, answered from cross-validated data.
What is Na4CoO4?
Na4CoO4 is a stable, semiconducting layered sodium cobalt oxide used primarily in the investigation of advanced energy storage materials.
What is Na4CoO4 used for?
What is the band gap of Na4CoO4?
Is Na4CoO4 a metal, semiconductor, or insulator?
Is Na4CoO4 thermodynamically stable?
What is the crystal structure of Na4CoO4?
What is the density of Na4CoO4?
How many polymorphs of Na4CoO4 are known?
What elements does Na4CoO4 contain?
Where does the data for Na4CoO4 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse family of layered sodium transition-metal oxides, Na4CoO4 occupies a unique structural niche compared to more common cathode materials like NaCoO2. While NaCoO2 is widely recognized for its layered structure and electrochemical performance, Na4CoO4 offers a different stoichiometry that challenges traditional design paradigms for sodium-ion battery electrodes.
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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