Cl1F1Na6O8S2
This compound is a complex inorganic salt containing sodium, sulfur, oxygen, chlorine, and fluorine. It is primarily studied within the context of mineralogy and solid-state chemistry as part of complex sulfate-based frameworks.
ClFNaOS
Overview
Key Properties
Cross-validated computational properties for Cl1F1Na6O8S2, 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.
4.77 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.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Cl1F1Na6O8S2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 4.77 | 0.0000 | -5.599 | 2.56 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | cubic | — | — | — | 0.62 |
Uses
Applications
Where Cl1F1Na6O8S2 is used.
Geological researchSolid-state chemistry studiesMaterials science research
Reference
Frequently Asked Questions
Common questions about Cl1F1Na6O8S2, answered from cross-validated data.
What is Cl1F1Na6O8S2?
This compound is a complex inorganic salt containing sodium, sulfur, oxygen, chlorine, and fluorine. It is primarily studied within the context of mineralogy and solid-state chemistry as part of complex sulfate-based frameworks.
What is Cl1F1Na6O8S2 used for?
Cl1F1Na6O8S2 is used in geological research, solid-state chemistry studies, and materials science research.
What is the band gap of Cl1F1Na6O8S2?
Cl1F1Na6O8S2 has a DFT-computed band gap of 4.77 eV across 5 reported structures.
Is Cl1F1Na6O8S2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.77 eV it is an insulator / wide-band-gap material.
Is Cl1F1Na6O8S2 thermodynamically stable?
Yes — Cl1F1Na6O8S2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl1F1Na6O8S2?
The lowest-energy reported polymorph of Cl1F1Na6O8S2 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Cl1F1Na6O8S2?
The computed density of the ground-state structure of Cl1F1Na6O8S2 is 2.56 g/cm³.
How many polymorphs of Cl1F1Na6O8S2 are known?
5 structures of Cl1F1Na6O8S2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cl1F1Na6O8S2 contain?
Cl1F1Na6O8S2 contains Cl, F, Na, O, and S (5 elements).
Where does the data for Cl1F1Na6O8S2 come from?
Cl1F1Na6O8S2 data is cross-referenced from materials_project, aflow, cod.
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).
Analyze Cl1F1Na6O8S2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →