CsI2Rb

CsI2Rb is a wide-band-gap insulating compound composed of cesium, rubidium, and iodine that exists in a metastable state.

CsIRb
Crystal structure of CsI2Rb
Ground-state structure · Materials Project
Overview

About CsI2Rb

CsI2Rb is an insulating compound characterized by a wide electronic band gap. It is composed of cesium, rubidium, and iodine, forming a complex lattice structure that has been documented across multiple crystallographic databases.

Due to its position above the thermodynamic hull, this material is considered metastable. Its study provides valuable insights into the structural diversity of alkali metal halides and the potential for complex phase formation in these systems.

At a glance

Key Properties

Cross-validated computational properties for CsI2Rb, aggregated across 3 databases.

Band Gap

3.73 eV
Range across DFT structures

Energy Above Hull

0.391 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

7
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about CsI2Rb, answered from cross-validated data.

What is CsI2Rb?

CsI2Rb is a wide-band-gap insulating compound composed of cesium, rubidium, and iodine that exists in a metastable state.

More questions
What is the band gap of CsI2Rb?
CsI2Rb has a DFT-computed band gap of 3.73 eV across 7 reported structures.
Is CsI2Rb a metal, semiconductor, or insulator?
With a wide band gap up to 3.73 eV it is an insulator / wide-band-gap material.
Is CsI2Rb thermodynamically stable?
CsI2Rb has a lowest energy above hull of 0.391 eV/atom (above hull).
How many polymorphs of CsI2Rb are known?
7 structures of CsI2Rb are reported across 3 databases, spanning 1 distinct space group.
What elements does CsI2Rb contain?
CsI2Rb contains Cs, I, and Rb (3 elements).
Where does the data for CsI2Rb come from?
CsI2Rb data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the alkali metal halide family, CsI2Rb represents a unique combination of large cations and halide anions. Unlike simpler binary halides that often exhibit high thermodynamic stability, this ternary compound occupies a more complex region of the phase space, reflecting the intricate interplay between ionic sizes and lattice energy.

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

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