F4Li4Na4Ni4O16P4
F4Li4Na4Ni4O16P4 is a thermodynamically stable, insulating transition-metal phosphate used in advanced materials research.
About F4Li4Na4Ni4O16P4
F4Li4Na4Ni4O16P4 is a complex transition-metal phosphate characterized by its insulating electronic nature and high thermodynamic stability. As a member of the phosphate family, its structural integrity makes it a subject of interest for researchers investigating ion-conducting frameworks and solid-state materials. Its position on the convex hull suggests a robust atomic arrangement that resists phase decomposition under standard conditions. The inclusion of nickel within the phosphate-fluoride lattice provides a unique chemical environment that differentiates it from simpler binary phosphates. This material is primarily utilized in fundamental materials science studies aimed at understanding how transition metals influence the electrochemical properties of complex polyanionic frameworks.
Key Properties
Cross-validated computational properties for F4Li4Na4Ni4O16P4, 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 F4Li4Na4Ni4O16P4, 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/c (No. 14) | monoclinic | 4.56 | 0.0000 | -6.523 | 3.43 |
| — | — | — | — | — | 3.42 |
| — | — | — | — | — | 3.42 |
| — | — | — | — | — | 3.42 |
| No. 0 | unknown | — | — | — | 0.89 |
Applications
Where F4Li4Na4Ni4O16P4 is used.
Frequently Asked Questions
Common questions about F4Li4Na4Ni4O16P4, answered from cross-validated data.
What is F4Li4Na4Ni4O16P4?
F4Li4Na4Ni4O16P4 is a thermodynamically stable, insulating transition-metal phosphate used in advanced materials research.
What is F4Li4Na4Ni4O16P4 used for?
What is the band gap of F4Li4Na4Ni4O16P4?
Is F4Li4Na4Ni4O16P4 a metal, semiconductor, or insulator?
Is F4Li4Na4Ni4O16P4 thermodynamically stable?
What is the crystal structure of F4Li4Na4Ni4O16P4?
What is the density of F4Li4Na4Ni4O16P4?
How many polymorphs of F4Li4Na4Ni4O16P4 are known?
What elements does F4Li4Na4Ni4O16P4 contain?
Where does the data for F4Li4Na4Ni4O16P4 come from?
How It Compares
Within the transition-metal phosphates class.
Within the diverse class of transition-metal phosphates, this compound occupies a distinct niche compared to well-known battery cathode materials like LiFePO4 or LiMnPO4. While its siblings are frequently studied for their specific redox potentials and lithium-ion storage capabilities, F4Li4Na4Ni4O16P4 represents a more complex structural variant that incorporates fluorine into the phosphate framework. This architectural difference sets it apart from the olivine-structured LiFePO4 and the pyrophosphate-based LiFeP2O7, offering a unique platform for exploring how mixed-cation and anion systems affect electronic and ionic transport properties.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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