C2Fe2Na6O14P2
This complex inorganic compound is primarily studied for its electrochemical properties in energy storage systems. It serves as a cathode material candidate for rechargeable battery technologies due to its structural stability during ion transport.
Key Properties
Cross-validated computational properties for C2Fe2Na6O14P2, 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 C2Fe2Na6O14P2, 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 | 1.80 | 0.0000 | -7.028 | 2.93 |
| P21 (No. 4) | monoclinic | 3.74 | 0.0150 | -7.013 | 2.89 |
| P21/m (No. 11) | — | — | — | — | — |
| — | — | — | — | — | 2.90 |
Applications
Where C2Fe2Na6O14P2 is used.
Frequently Asked Questions
Common questions about C2Fe2Na6O14P2, answered from cross-validated data.
What is C2Fe2Na6O14P2?
This complex inorganic compound is primarily studied for its electrochemical properties in energy storage systems. It serves as a cathode material candidate for rechargeable battery technologies due to its structural stability during ion transport.
What is C2Fe2Na6O14P2 used for?
What is the band gap of C2Fe2Na6O14P2?
Is C2Fe2Na6O14P2 a metal, semiconductor, or insulator?
Is C2Fe2Na6O14P2 thermodynamically stable?
What is the crystal structure of C2Fe2Na6O14P2?
What is the density of C2Fe2Na6O14P2?
How many polymorphs of C2Fe2Na6O14P2 are known?
What elements does C2Fe2Na6O14P2 contain?
Where does the data for C2Fe2Na6O14P2 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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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