FePS3 — Properties & Data | MatWorld

FePS3

metal

· JVASP-4498· FePS3

FePS₃ is an iron phosphorus trisulfide compound belonging to the family of layered metal phosphorus trichalcogenides, which are primarily investigated as two-dimensional materials rather than bulk engineering alloys. This material is currently in the research and development phase, with investigation focused on its potential as a layered van der Waals material for advanced electronic and photonic device applications. Its notable characteristics include weak interlayer bonding and anisotropic mechanical properties that make it amenable to mechanical exfoliation, positioning it within the broader emerging class of alternatives to graphene and transition metal dichalcogenides for next-generation device engineering.

2D materials researchnanoelectronic devicesphotonic applicationslayered materials engineeringvan der Waals heterostructuresmaterials science R&D

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	5,784.1	ksi	DFT · OptB88vdW
Exfoliation Energy(Eexf)	68.48	meV/atom	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2600	-	DFT · OptB88vdW
Shear Modulus(G)	3,639	ksi	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	0.1138	lb/in³	DFT · OptB88vdW

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Method

Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)2 entries	0.000	eV	DFT · OptB88vdW
↳	0.000	eV	DFT · TBmBJ
Magnetic Moment(μB)	7.734	µB	DFT · OptB88vdW
Thermoelectric Power Factor(PF)2 entries	0.000489	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.000509	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	83.33	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	83.53	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C

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.

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Property	Value	Unit	Conditions	Source
Energy Above Hull(ΔEhull)	0.1787	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-0.2790	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

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FePS3

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