Cl12Er2Na6

Cl12Er2Na6 is a thermodynamically stable, wide-gap insulating chloride compound containing erbium and sodium.

ClErNa
Crystal structure of Cl12Er2Na6
Ground-state structure · Materials Project
Overview

About Cl12Er2Na6

Cl12Er2Na6 is a complex chloride compound featuring erbium and sodium. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement within its chemical system. Its electronic character is defined by a wide band gap, classifying it as an insulating material. This stability and electronic nature make it a subject of interest for fundamental materials research and solid-state chemistry. The compound has been identified across multiple structural databases, reflecting its significance in crystallographic studies.

At a glance

Key Properties

Cross-validated computational properties for Cl12Er2Na6, aggregated across 3 databases.

Band Gap

4.04–5.23 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 2 space groups
Uses

Applications

Where Cl12Er2Na6 is used.

Solid-state chemistry researchFundamental materials science studiesCrystallographic modeling
Reference

Frequently Asked Questions

Common questions about Cl12Er2Na6, answered from cross-validated data.

What is Cl12Er2Na6?

Cl12Er2Na6 is a thermodynamically stable, wide-gap insulating chloride compound containing erbium and sodium.

More questions
What is Cl12Er2Na6 used for?
Cl12Er2Na6 is used in solid-state chemistry research, fundamental materials science studies, and crystallographic modeling.
What is the band gap of Cl12Er2Na6?
Cl12Er2Na6 has a DFT-computed band gap of 4.04–5.23 eV across 4 reported structures.
Is Cl12Er2Na6 a metal, semiconductor, or insulator?
With a wide band gap up to 5.23 eV it is an insulator / wide-band-gap material.
Is Cl12Er2Na6 thermodynamically stable?
Yes — Cl12Er2Na6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cl12Er2Na6 are known?
4 structures of Cl12Er2Na6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cl12Er2Na6 contain?
Cl12Er2Na6 contains Cl, Er, and Na (3 elements).
Where does the data for Cl12Er2Na6 come from?
Cl12Er2Na6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique complex chloride, Cl12Er2Na6 serves as a distinct example of how rare-earth elements and alkali metals can integrate into stable insulating frameworks. Without direct structural siblings in this specific class, it stands as a reference point for understanding the phase stability and electronic behavior of erbium-based halide systems.

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

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