ZrCl2 — Properties & Data | MatWorld

ZrCl2

Name: ZrCl2
Brand: MatWorld

metal

· ZrCl2

Zirconium dichloride (ZrCl₂) is a layered transition metal halide compound that belongs to the family of 2D materials and metal halides with potential for exfoliation into thin nanosheets. While primarily used in research and materials development rather than established industrial applications, ZrCl₂ is of interest to the materials science community for its potential in nanoelectronics, energy storage, and catalysis due to its layered crystal structure and tunable electronic properties. Engineers and researchers explore this compound as a precursor material and as a candidate for next-generation devices where thin-film or layered architectures offer performance advantages over conventional bulk materials.

experimental nanomaterials research2D materials synthesisbattery and energy storage developmentcatalytic applicationsthin-film device fabricationprecursor compound for zirconium ceramics

Compliance & Regulations

?EAR?Conflict Free?RoHS?REACH?TSCA?Prop 65

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	45.27	GPa	DFT · OptB88vdW
Exfoliation Energy(Eexf)	69.38	meV/atom	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2500	-	DFT · OptB88vdW
Shear Modulus(G)	31.30	GPa	DFT · OptB88vdW

Verified Unverified Low confidence (<80%) Link to source

Property	Value	Unit	Conditions	Source
Density(ρ)	4.139	kg/m³	DFT · OptB88vdW

Verified Unverified Low confidence (<80%) Link to source

Filter by

Method

Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)2 entries	0.8660	eV	DFT · OptB88vdW
↳	0.9620	eV	DFT · TBmBJ
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	10.15	-	DFT · OptB88vdW
↳	10.35	-	DFT · TBmBJ
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Piezoelectric Modulus(eij)	0.1185	C/m²	DFT · PBE
Piezoelectric Stress Tensor(eij)	Matrix (redacted)	C/m²	DFT · PBE
Thermoelectric Power Factor(PF)2 entries	0.00274	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.00255	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-327	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	304.1	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	31.61	%	DFT · TBmBJ

N entriesMultiple entries per property — large groups are collapsed; click a summary row to expand. Use filters above to narrow by form, heat treatment, basis, or test environment.

Verified Unverified Low confidence (<80%) Link to source

Filter by

Method

Property	Value	Unit	Conditions
Energy Above Hull(ΔEhull)	0.000	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)2 entries	-1.762	eV/atom	DFT · OptB88vdW
↳	-1.489	eV/atom	Measured

N entriesMultiple entries per property — large groups are collapsed; click a summary row to expand. Use filters above to narrow by form, heat treatment, basis, or test environment.

Verified Unverified Low confidence (<80%) Link to source

Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data

Regulatory Screening

Environmental

Export Control

RoHS, REACH, and Prop 65 statuses are validated against official substance lists (ECHA SVHC Candidate List, OEHHA Prop 65, RoHS Annex II). Other regulations are estimated from composition and material classification. All screening is a starting point for due diligence — always verify with your supplier before making compliance decisions.

ZrCl2

Mechanical Properties

Physical Properties

Electrical Properties

Other Properties

Regulatory Screening

Environmental

Export Control