NaSbF6

Sodium hexafluoroantimonate · Sodium fluoroantimonate

Sodium hexafluoroantimonate is an inorganic salt that serves as a source of the hexafluoroantimonate anion. It is primarily utilized as a chemical reagent in synthetic chemistry and as a precursor for the preparation of various specialty materials.

FNaSb
Crystal structure of NaSbF6 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Sodium hexafluoroantimonate, aggregated across 3 databases.

Band Gap

4.76–6.12 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for NaSbF6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3m (No. 225)cubic4.890.0000-4.9823.04
Pa-3 (No. 205)cubic6.120.0012-4.9813.06
Pa-3 (No. 205)cubic4.760.0185-4.9642.95
Pa-3 (No. 205)Cubic2.95
Pa-3 (No. 205)Cubic3.14
Pa-3 (No. 205)Cubic3.02
Fm-3m (No. 225)Cubic2.83
Fm-3m (No. 225)Cubic2.90
Fm-3m (No. 225)
Fm-3m (No. 225)Cubic3.01
Uses

Applications

Where Sodium hexafluoroantimonate is used.

Chemical synthesisPrecursor for ionic liquidsCatalyst component
Reference

Frequently Asked Questions

Common questions about Sodium hexafluoroantimonate, answered from cross-validated data.

What is NaSbF6?

Sodium hexafluoroantimonate is an inorganic salt that serves as a source of the hexafluoroantimonate anion. It is primarily utilized as a chemical reagent in synthetic chemistry and as a precursor for the preparation of various specialty materials.

More questions
What is NaSbF6 used for?
Sodium hexafluoroantimonate (NaSbF6) is used in chemical synthesis, precursor for ionic liquids, and catalyst component.
What is the band gap of NaSbF6?
Sodium hexafluoroantimonate (NaSbF6) has a DFT-computed band gap of 4.76–6.12 eV across 10 reported structures.
Is NaSbF6 a metal, semiconductor, or insulator?
With a wide band gap up to 6.12 eV it is an insulator / wide-band-gap material.
Is NaSbF6 thermodynamically stable?
Yes — Sodium hexafluoroantimonate (NaSbF6) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaSbF6?
The lowest-energy reported polymorph of Sodium hexafluoroantimonate (NaSbF6) is cubic symmetry, space group Fm-3m (No. 225).
What is the density of NaSbF6?
The computed density of the ground-state structure of Sodium hexafluoroantimonate (NaSbF6) is 3.04 g/cm³.
How many polymorphs of NaSbF6 are known?
10 structures of NaSbF6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does NaSbF6 contain?
Sodium hexafluoroantimonate (NaSbF6) contains F, Na, and Sb (3 elements).
Where does the data for NaSbF6 come from?
NaSbF6 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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