CsAu

Cesium auride · Cesium gold

Cesium auride is an intermetallic compound that exhibits unusual electronic properties due to the high electronegativity of gold. It acts as an ionic solid where the gold atoms behave as anions, making it a subject of significant interest in fundamental solid-state chemistry and materials research.

AuCs
Crystal structure of CsAu (cubic, Pm-3m (No. 221))
Ground-state structure · Materials Project
Overview

Key Properties

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

Band Gap

1.02 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

39
3 databases, 9 space groups
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pm-3m (No. 221)cubic1.020.0000-38.2076.97
P1 (No. 1)Triclinic4.60
P1 (No. 1)Triclinic2.03
P1 (No. 1)Triclinic1.55
C2/m (No. 12)Monoclinic5.22
P1 (No. 1)Triclinic1.95
P1 (No. 1)Triclinic1.98
P1 (No. 1)Triclinic2.11
P1 (No. 1)Triclinic8.08
C2/m (No. 12)Monoclinic5.12
C2/m (No. 12)Monoclinic4.85
P-1 (No. 2)Triclinic2.21
Uses

Applications

Where Cesium auride is used.

Academic research into ionic intermetallic compoundsStudies of gold-based chemical bondingFundamental condensed matter physics
Reference

Frequently Asked Questions

Common questions about Cesium auride, answered from cross-validated data.

What is CsAu?

Cesium auride is an intermetallic compound that exhibits unusual electronic properties due to the high electronegativity of gold. It acts as an ionic solid where the gold atoms behave as anions, making it a subject of significant interest in fundamental solid-state chemistry and materials research.

More questions
What is CsAu used for?
Cesium auride (CsAu) is used in academic research into ionic intermetallic compounds, studies of gold-based chemical bonding, and fundamental condensed matter physics.
What is the band gap of CsAu?
Cesium auride (CsAu) has a DFT-computed band gap of 1.02 eV across 39 reported structures.
Is CsAu a metal, semiconductor, or insulator?
With a band gap up to 1.02 eV it is a semiconductor.
Is CsAu thermodynamically stable?
Yes — Cesium auride (CsAu) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CsAu?
The lowest-energy reported polymorph of Cesium auride (CsAu) is cubic symmetry, space group Pm-3m (No. 221).
What is the density of CsAu?
The computed density of the ground-state structure of Cesium auride (CsAu) is 6.97 g/cm³.
How many polymorphs of CsAu are known?
39 structures of CsAu are reported across 3 databases, spanning 9 distinct space groups.
What elements does CsAu contain?
Cesium auride (CsAu) contains Au and Cs (2 elements).
Where does the data for CsAu come from?
CsAu data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

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