NaV3F7

NaV3F7 is a metastable semiconducting fluoride compound composed of sodium, vanadium, and fluorine.

FNaV
Crystal structure of NaV3F7
Ground-state structure · Materials Project
Overview

About NaV3F7

NaV3F7 is a complex fluoride material characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized configuration of sodium, vanadium, and fluorine atoms that offers unique insights into structural diversity within inorganic chemistry.

The compound is of significant interest to researchers studying transition metal fluorides. Its existence as a metastable structure highlights the delicate balance of atomic arrangements possible in this chemical system, making it a subject of investigation for those exploring non-equilibrium material properties.

At a glance

Key Properties

Cross-validated computational properties for NaV3F7, aggregated across 3 databases.

Band Gap

1.45 eV
Range across DFT structures

Energy Above Hull

0.085 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about NaV3F7, answered from cross-validated data.

What is NaV3F7?

NaV3F7 is a metastable semiconducting fluoride compound composed of sodium, vanadium, and fluorine.

More questions
What is the band gap of NaV3F7?
NaV3F7 has a DFT-computed band gap of 1.45 eV across 5 reported structures.
Is NaV3F7 a metal, semiconductor, or insulator?
With a band gap up to 1.45 eV it is a semiconductor.
Is NaV3F7 thermodynamically stable?
NaV3F7 has a lowest energy above hull of 0.085 eV/atom (metastable).
How many polymorphs of NaV3F7 are known?
5 structures of NaV3F7 are reported across 3 databases, spanning 2 distinct space groups.
What elements does NaV3F7 contain?
NaV3F7 contains F, Na, and V (3 elements).
Where does the data for NaV3F7 come from?
NaV3F7 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct member of the vanadium-sodium-fluorine system, NaV3F7 serves as a representative example of the structural complexity found in metastable fluoride compounds. It provides a valuable reference point for understanding how specific stoichiometry influences the electronic and thermodynamic landscape of this material class.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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