Na3CoO3
Na3CoO3 is a stable, semiconducting layered oxide containing sodium, cobalt, and oxygen that is primarily researched for its potential in electrochemical energy storage applications.
About Na3CoO3
Na3CoO3 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 structural configuration within the sodium-cobalt-oxygen system.
This compound is of significant interest in materials science due to its structural complexity and potential utility in energy storage research. Its ability to maintain stability while incorporating transition metals makes it a subject of ongoing investigation for next-generation electrochemical devices.
Key Properties
Cross-validated computational properties for Na3CoO3, 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 Na3CoO3, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.83 | 0.0000 | -5.277 | 3.11 |
| P21/c (No. 14) | monoclinic | 1.67 | 0.0110 | -5.266 | 3.17 |
| I-43m (No. 217) | cubic | 1.86 | 0.0305 | -5.247 | 2.65 |
| P21/c (No. 14) | monoclinic | 1.75 | 0.0326 | -5.245 | 2.78 |
| P21/c (No. 14) | monoclinic | 1.65 | 0.0343 | -5.243 | 2.98 |
| P21/c (No. 14) | monoclinic | 1.55 | 0.0355 | -5.242 | 3.04 |
| P213 (No. 198) | cubic | 1.84 | 0.0570 | -5.220 | 2.75 |
| Pnnm (No. 58) | orthorhombic | 1.16 | 0.0622 | -5.215 | 3.09 |
| Cmcm (No. 63) | orthorhombic | 0.45 | 0.0635 | -5.214 | 3.11 |
| Cmce (No. 64) | orthorhombic | 0.32 | 0.1062 | -5.171 | 3.17 |
| P21/c (No. 14) | monoclinic | 1.65 | 0.1121 | -5.165 | 2.77 |
| P42/mnm (No. 136) | tetragonal | 0.02 | 0.1193 | -5.158 | 3.08 |
Applications
Where Na3CoO3 is used.
Frequently Asked Questions
Common questions about Na3CoO3, answered from cross-validated data.
What is Na3CoO3?
Na3CoO3 is a stable, semiconducting layered oxide containing sodium, cobalt, and oxygen that is primarily researched for its potential in electrochemical energy storage applications.
What is Na3CoO3 used for?
What is the band gap of Na3CoO3?
Is Na3CoO3 a metal, semiconductor, or insulator?
Is Na3CoO3 thermodynamically stable?
What is the crystal structure of Na3CoO3?
What is the density of Na3CoO3?
How many polymorphs of Na3CoO3 are known?
What elements does Na3CoO3 contain?
Where does the data for Na3CoO3 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse family of layered sodium transition-metal oxides, Na3CoO3 occupies a distinct position compared to more common analogs like NaCoO2. While many siblings such as NaFeO2 or NaMnO2 are frequently studied for their specific intercalation properties, Na3CoO3 offers a unique stoichiometry that differentiates its structural framework from the more widely utilized cobalt-based counterparts.
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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