ZrS3 — Properties & Data | MatWorld

ZrS3

Name: ZrS3
Brand: MatWorld

semiconductor

· ZrS3

ZrS₃ is a layered transition metal trichalcogenide semiconductor composed of zirconium and sulfur, belonging to the family of two-dimensional (2D) materials with sheet-like crystal structures. This is primarily a research material currently under investigation for next-generation electronic and optoelectronic applications, rather than an established industrial compound. The layered structure and semiconducting properties make it of interest for potential applications in nanoelectronics, photovoltaics, and sensing devices where the ability to exfoliate into thin layers could enable new device architectures.

2D materials researchNanoelectronics and transistorsOptoelectronic devicesLayered semiconductor heterostructuresPhotovoltaic cellsChemical sensors

Compliance & Regulations

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

Units:

si imperial

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Method

Property	Value	Unit	Conditions
Bulk Modulus(K)2 entries	22.18	GPa	DFT
↳	45.74	GPa	DFT · OptB88vdW
Exfoliation Energy(Eexf)	55.49	meV/atom	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2600	-	DFT · OptB88vdW
Shear Modulus(G)2 entries	11.05	GPa	DFT
↳	28.19	GPa	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	3.676	kg/m³	DFT · OptB88vdW

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

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Method

Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)3 entries	1.206	eV	DFT · OptB88vdW
↳	1.561	eV	DFT · TBmBJ
↳	2.170	eV	Measured
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	8.972	-	DFT · OptB88vdW
↳	8.034	-	DFT · TBmBJ
Electron Effective Mass(m*e)	1.937	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	2.913	me	DFT · OptB88vdW · 27°C
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Thermoelectric Power Factor(PF)2 entries	0.00141	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.00172	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-196.1	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	319.2	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	31.49	%	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

Property	Value	Unit	Conditions	Source
Energy Above Hull(ΔEhull)	0.000	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-1.357	eV/atom	DFT · OptB88vdW

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

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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.

ZrS3

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