C2Fe2Na4O14P2
C2Fe2Na4O14P2 is a stable, semiconducting transition-metal phosphate used in materials research for its unique structural and electronic properties.
About C2Fe2Na4O14P2
C2Fe2Na4O14P2 is a complex transition-metal phosphate that exhibits semiconducting electronic properties. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.
This compound is of significant interest in materials science due to its structural complexity and the potential for ion mobility inherent in its phosphate-based framework. It serves as a valuable subject for investigating the relationship between atomic arrangement and electronic behavior in transition-metal-based energy materials.
Key Properties
Cross-validated computational properties for C2Fe2Na4O14P2, aggregated across 2 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 C2Fe2Na4O14P2, 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 | 2.37 | 0.0000 | -7.290 | 2.72 |
| P-1 (No. 2) | triclinic | 2.47 | 0.0067 | -7.283 | 2.76 |
| P21 (No. 4) | monoclinic | 2.46 | 0.0120 | -7.278 | 2.76 |
| P21/c (No. 14) | monoclinic | 1.62 | 0.0126 | -7.277 | 2.77 |
| P1 (No. 1) | triclinic | 2.44 | 0.0130 | -7.277 | 2.77 |
| P1 (No. 1) | triclinic | 2.45 | 0.0138 | -7.276 | 2.78 |
| P21/c (No. 14) | monoclinic | 1.65 | 0.0141 | -7.275 | 2.78 |
| P1 (No. 1) | triclinic | 2.41 | 0.0141 | -7.275 | 2.78 |
| P1 (No. 1) | triclinic | 0.40 | 0.0144 | -7.275 | 2.80 |
| P1 (No. 1) | triclinic | 2.42 | 0.0145 | -7.275 | 2.78 |
| P21/c (No. 14) | monoclinic | 1.62 | 0.0153 | -7.274 | 2.78 |
| P21/c (No. 14) | monoclinic | 1.90 | 0.0154 | -7.274 | 2.78 |
Applications
Where C2Fe2Na4O14P2 is used.
Frequently Asked Questions
Common questions about C2Fe2Na4O14P2, answered from cross-validated data.
What is C2Fe2Na4O14P2?
C2Fe2Na4O14P2 is a stable, semiconducting transition-metal phosphate used in materials research for its unique structural and electronic properties.
What is C2Fe2Na4O14P2 used for?
What is the band gap of C2Fe2Na4O14P2?
Is C2Fe2Na4O14P2 a metal, semiconductor, or insulator?
Is C2Fe2Na4O14P2 thermodynamically stable?
What is the crystal structure of C2Fe2Na4O14P2?
What is the density of C2Fe2Na4O14P2?
How many polymorphs of C2Fe2Na4O14P2 are known?
What elements does C2Fe2Na4O14P2 contain?
Where does the data for C2Fe2Na4O14P2 come from?
How It Compares
Within the transition-metal phosphates class.
Within the diverse family of transition-metal phosphates, C2Fe2Na4O14P2 distinguishes itself from well-known battery cathode materials like LiFePO4 and LiMnPO4 by its unique stoichiometry and sodium-rich composition. While many of its siblings are optimized for lithium-ion storage, this compound offers a different structural landscape for exploring ion transport and redox activity in non-lithium systems.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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