Cs16Pb36

This compound is a complex intermetallic phase consisting of cesium and lead. It is primarily studied in fundamental materials science research to understand the structural properties and bonding characteristics of alkali metal-heavy metal systems.

CsPb
Crystal structure of Cs16Pb36 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Cs16Pb36, aggregated across 4 databases.

Band Gap

0.91 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
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cs16Pb36, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic0.910.0000-3.0376.69
6.48
No. 0unknown1.72
P21/c (No. 14)
Uses

Applications

Where Cs16Pb36 is used.

Fundamental condensed matter researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Cs16Pb36, answered from cross-validated data.

What is Cs16Pb36?

This compound is a complex intermetallic phase consisting of cesium and lead. It is primarily studied in fundamental materials science research to understand the structural properties and bonding characteristics of alkali metal-heavy metal systems.

More questions
What is Cs16Pb36 used for?
Cs16Pb36 is used in fundamental condensed matter research and solid-state chemistry studies.
What is the band gap of Cs16Pb36?
Cs16Pb36 has a DFT-computed band gap of 0.91 eV across 4 reported structures.
Is Cs16Pb36 a metal, semiconductor, or insulator?
With a band gap up to 0.91 eV it is a semiconductor.
Is Cs16Pb36 thermodynamically stable?
Yes — Cs16Pb36 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs16Pb36?
The lowest-energy reported polymorph of Cs16Pb36 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Cs16Pb36?
The computed density of the ground-state structure of Cs16Pb36 is 6.69 g/cm³.
How many polymorphs of Cs16Pb36 are known?
4 structures of Cs16Pb36 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Cs16Pb36 contain?
Cs16Pb36 contains Cs and Pb (2 elements).
Where does the data for Cs16Pb36 come from?
Cs16Pb36 data is cross-referenced from materials_project, omat24, cod, aflow.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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