NaFeSO4F
NaFeSO4F has a DFT band gap of 4.19 eV across 2 reported structures in 1 space group. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for NaFeSO4F, 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.
4.19 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
2
2 databases, 1 space group
Reference
Frequently Asked Questions
Common questions about NaFeSO4F, answered from cross-validated data.
What is the band gap of NaFeSO4F?
NaFeSO4F has a DFT-computed band gap of 4.19 eV across 2 reported structures.
More questions
Is NaFeSO4F a metal, semiconductor, or insulator?
With a wide band gap up to 4.19 eV it is an insulator / wide-band-gap material.
Is NaFeSO4F thermodynamically stable?
Yes — NaFeSO4F sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NaFeSO4F are known?
2 structures of NaFeSO4F are reported across 2 databases, spanning 1 distinct space group.
What elements does NaFeSO4F contain?
NaFeSO4F contains F, Fe, Na, O, and S (5 elements).
Where does the data for NaFeSO4F come from?
NaFeSO4F data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Polyanion Sulfate Cathodes in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze NaFeSO4F in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →