F6K3Nd

F6K3Nd is an insulating fluoride compound containing potassium and neodymium that is currently being studied for its structural diversity and thermodynamic properties.

FKNd
Crystal structure of F6K3Nd
Ground-state structure · Materials Project
Overview

About F6K3Nd

F6K3Nd is a complex fluoride compound characterized by its wide-band-gap insulating electronic profile. Its composition, involving potassium and neodymium, places it in a specialized category of halide materials where electronic localization is a primary feature.

Despite its existence in multiple structural configurations across research databases, this compound is identified as being above the thermodynamic hull. This suggests that it may be metastable or difficult to synthesize under standard conditions, making it a focus for researchers studying phase stability.

At a glance

Key Properties

Cross-validated computational properties for F6K3Nd, aggregated across 3 databases.

Band Gap

5.61 eV
Range across DFT structures

Energy Above Hull

0.107 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

6
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about F6K3Nd, answered from cross-validated data.

What is F6K3Nd?

F6K3Nd is an insulating fluoride compound containing potassium and neodymium that is currently being studied for its structural diversity and thermodynamic properties.

More questions
What is the band gap of F6K3Nd?
F6K3Nd has a DFT-computed band gap of 5.61 eV across 6 reported structures.
Is F6K3Nd a metal, semiconductor, or insulator?
With a wide band gap up to 5.61 eV it is an insulator / wide-band-gap material.
Is F6K3Nd thermodynamically stable?
F6K3Nd has a lowest energy above hull of 0.107 eV/atom (above hull).
How many polymorphs of F6K3Nd are known?
6 structures of F6K3Nd are reported across 3 databases, spanning 1 distinct space group.
What elements does F6K3Nd contain?
F6K3Nd contains F, K, and Nd (3 elements).
Where does the data for F6K3Nd come from?
F6K3Nd data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique fluoride phase, F6K3Nd occupies a niche position in materials science where its stability and electronic properties are evaluated against more common, thermodynamically robust halide structures.

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

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