Cl22P2W8

This compound is a complex inorganic cluster containing tungsten, phosphorus, and chlorine. It is primarily utilized in advanced chemical research as a precursor or building block for the synthesis of specialized metal-halide frameworks and catalytic materials.

ClPW
Crystal structure of Cl22P2W8 (monoclinic, C2/m (No. 12))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Cl22P2W8, aggregated across 3 databases.

Band Gap

0.61–0.67 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cl22P2W8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/m (No. 12)monoclinic0.610.0000-18.5134.83
Cmcm (No. 63)orthorhombic0.670.0000-18.5134.82
3.45
3.09
C2/m (No. 12)
Uses

Applications

Where Cl22P2W8 is used.

Chemical synthesis researchCatalysis developmentMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Cl22P2W8, answered from cross-validated data.

What is Cl22P2W8?

This compound is a complex inorganic cluster containing tungsten, phosphorus, and chlorine. It is primarily utilized in advanced chemical research as a precursor or building block for the synthesis of specialized metal-halide frameworks and catalytic materials.

More questions
What is Cl22P2W8 used for?
Cl22P2W8 is used in chemical synthesis research, catalysis development, and materials science exploration.
What is the band gap of Cl22P2W8?
Cl22P2W8 has a DFT-computed band gap of 0.61–0.67 eV across 5 reported structures.
Is Cl22P2W8 a metal, semiconductor, or insulator?
With a band gap up to 0.67 eV it is a semiconductor.
Is Cl22P2W8 thermodynamically stable?
Yes — Cl22P2W8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl22P2W8?
The lowest-energy reported polymorph of Cl22P2W8 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Cl22P2W8?
The computed density of the ground-state structure of Cl22P2W8 is 4.83 g/cm³.
How many polymorphs of Cl22P2W8 are known?
5 structures of Cl22P2W8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cl22P2W8 contain?
Cl22P2W8 contains Cl, P, and W (3 elements).
Where does the data for Cl22P2W8 come from?
Cl22P2W8 data is cross-referenced from materials_project, omat24, 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).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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