NaCr3O8
NaCr3O8 is a thermodynamically stable layered oxide material characterized by its semiconducting electronic nature.
About NaCr3O8
NaCr3O8 belongs to the class of layered sodium transition-metal oxides, a group of materials highly regarded for their structural versatility and potential in electrochemical applications. As a thermodynamically stable phase, it maintains a robust crystalline framework that facilitates ion transport within its layered architecture.
This semiconducting oxide is a subject of significant interest for researchers investigating new electrode materials. Its stable configuration and unique electronic properties make it a valuable candidate for exploring intercalation mechanisms and charge storage behavior in next-generation battery technologies.
Key Properties
Cross-validated computational properties for NaCr3O8, 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 NaCr3O8, 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/m (No. 12) | monoclinic | 1.79 | 0.0000 | -7.727 | 3.00 |
| Pnnm (No. 58) | orthorhombic | 2.02 | 0.0293 | -7.698 | 3.14 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.00 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.28 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.10 |
| Pnnm (No. 58) | Orthorhombic | — | — | — | 3.14 |
| Pnnm (No. 58) | Orthorhombic | — | — | — | 3.45 |
| Pnnm (No. 58) | Orthorhombic | — | — | — | 3.23 |
| C2/m (No. 12) | — | — | — | — | — |
| Pnnm (No. 58) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where NaCr3O8 is used.
Frequently Asked Questions
Common questions about NaCr3O8, answered from cross-validated data.
What is NaCr3O8?
NaCr3O8 is a thermodynamically stable layered oxide material characterized by its semiconducting electronic nature.
What is NaCr3O8 used for?
What is the band gap of NaCr3O8?
Is NaCr3O8 a metal, semiconductor, or insulator?
Is NaCr3O8 thermodynamically stable?
What is the crystal structure of NaCr3O8?
What is the density of NaCr3O8?
How many polymorphs of NaCr3O8 are known?
What elements does NaCr3O8 contain?
Where does the data for NaCr3O8 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse family of layered sodium transition-metal oxides, NaCr3O8 distinguishes itself through its specific stoichiometry and structural stability compared to more commonly studied members like NaCoO2 or NaFeO2. While many of its siblings are primarily investigated for their high-voltage cathode potential, NaCr3O8 offers a unique electronic profile that broadens the scope of structural motifs available for sodium-ion storage 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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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