F28Fe6Na10
This compound is a complex inorganic fluoride containing sodium and iron. It is primarily studied in the context of solid-state chemistry and materials research regarding fluoride-based ionic conductors.
FFeNa
Overview
Key Properties
Cross-validated computational properties for F28Fe6Na10, aggregated across 4 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.
3.21–3.32 eV
Range across DFT structures
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.
0.002 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
4 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for F28Fe6Na10, 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 | 3.32 | 0.0016 | -5.512 | 3.08 |
| P42/mnm (No. 136) | tetragonal | 3.23 | 0.0284 | -5.486 | 2.97 |
| P42212 (No. 94) | tetragonal | 3.21 | 0.0293 | -5.485 | 2.97 |
| P42/mnm (No. 136) | — | — | — | — | — |
| P4/mnc (No. 128) | tetragonal | — | — | — | 3.26 |
| — | — | — | — | — | 3.08 |
Uses
Applications
Where F28Fe6Na10 is used.
Materials science researchSolid-state electrolyte development
Reference
Frequently Asked Questions
Common questions about F28Fe6Na10, answered from cross-validated data.
What is F28Fe6Na10?
This compound is a complex inorganic fluoride containing sodium and iron. It is primarily studied in the context of solid-state chemistry and materials research regarding fluoride-based ionic conductors.
More questions
What is F28Fe6Na10 used for?
F28Fe6Na10 is used in materials science research and solid-state electrolyte development.
What is the band gap of F28Fe6Na10?
F28Fe6Na10 has a DFT-computed band gap of 3.21–3.32 eV across 6 reported structures.
Is F28Fe6Na10 a metal, semiconductor, or insulator?
With a wide band gap up to 3.32 eV it is an insulator / wide-band-gap material.
Is F28Fe6Na10 thermodynamically stable?
F28Fe6Na10 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of F28Fe6Na10?
The lowest-energy reported polymorph of F28Fe6Na10 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of F28Fe6Na10?
The computed density of the ground-state structure of F28Fe6Na10 is 3.08 g/cm³.
How many polymorphs of F28Fe6Na10 are known?
6 structures of F28Fe6Na10 are reported across 4 databases, spanning 4 distinct space groups.
What elements does F28Fe6Na10 contain?
F28Fe6Na10 contains F, Fe, and Na (3 elements).
Where does the data for F28Fe6Na10 come from?
F28Fe6Na10 data is cross-referenced from materials_project, aflow, cod, omat24.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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