CNa2NiO7P
This compound is a complex inorganic material containing sodium, nickel, phosphorus, carbon, and oxygen. It is primarily investigated in the field of materials science for its potential role as a cathode material in advanced energy storage systems.
Key Properties
Cross-validated computational properties for CNa2NiO7P, 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 CNa2NiO7P, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.00 | 0.0156 | -6.896 | 2.85 |
| P1 (No. 1) | triclinic | 0.00 | 0.0194 | -6.892 | 2.83 |
| P1 (No. 1) | triclinic | 0.00 | 0.0218 | -6.890 | 2.83 |
| P1 (No. 1) | triclinic | 0.00 | 0.0224 | -6.889 | 2.82 |
| P1 (No. 1) | triclinic | 0.00 | 0.0231 | -6.889 | 2.86 |
| P1 (No. 1) | triclinic | 0.00 | 0.0233 | -6.889 | 2.82 |
| P1 (No. 1) | triclinic | 0.00 | 0.0253 | -6.887 | 2.80 |
| P1 (No. 1) | triclinic | 0.00 | 0.0301 | -6.882 | 2.82 |
| P1 (No. 1) | triclinic | 0.00 | 0.0332 | -6.879 | 2.84 |
| P1 (No. 1) | triclinic | 0.00 | 0.0355 | -6.876 | 2.81 |
| P1 (No. 1) | triclinic | 0.00 | 0.0358 | -6.876 | 2.85 |
| P1 (No. 1) | triclinic | 0.00 | 0.0372 | -6.875 | 2.83 |
Applications
Where CNa2NiO7P is used.
Frequently Asked Questions
Common questions about CNa2NiO7P, answered from cross-validated data.
What is CNa2NiO7P?
This compound is a complex inorganic material containing sodium, nickel, phosphorus, carbon, and oxygen. It is primarily investigated in the field of materials science for its potential role as a cathode material in advanced energy storage systems.
What is CNa2NiO7P used for?
What is the band gap of CNa2NiO7P?
Is CNa2NiO7P a metal, semiconductor, or insulator?
Is CNa2NiO7P thermodynamically stable?
What is the crystal structure of CNa2NiO7P?
What is the density of CNa2NiO7P?
How many polymorphs of CNa2NiO7P are known?
What elements does CNa2NiO7P contain?
Where does the data for CNa2NiO7P come from?
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
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