NiP2S6

metal

· JVASP-30317· NiP2S6

NiP2S6 is a nickel phosphide sulfide compound belonging to the transition metal chalcogenide family, a class of materials attracting significant research attention for their layered crystal structures and tunable electronic properties. This is primarily a research and emerging material rather than an established industrial product; compounds in this family are being investigated for applications requiring semiconducting or catalytic behavior, particularly in energy storage and conversion devices. NiP2S6 is notable within materials research for its potential as a catalyst material and in nanostructured form, where it may offer advantages in electrochemical applications and as a platform for studying two-dimensional material behavior.

electrochemical catalystsenergy storage devicesresearch materials2D nanomaterialshydrogen evolution catalysis

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	4,755.8	ksi	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2800	-	DFT · OptB88vdW
Shear Modulus(G)	3,029.8	ksi	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	0.1030	lb/in³	DFT · OptB88vdW

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

Filter by

Method

Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)2 entries	0.3290	eV	DFT · OptB88vdW
↳	0.5460	eV	DFT · TBmBJ
Dielectric Constant (Relative Permittivity)(εr)	23.74	-	DFT · OptB88vdW
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	21.62	-	DFT · OptB88vdW
↳	17.63	-	DFT · TBmBJ
Electron Effective Mass(m*e)	0.01333	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	0.01333	me	DFT · OptB88vdW · 27°C
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Piezoelectric Modulus(eij)	0.2020	C/m²	DFT · OptB88vdW
Thermoelectric Power Factor(PF)2 entries	0.00137	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.000524	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-279.4	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	167.6	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	17.34	%	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)	0.06290	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-0.1800	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

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.

NiP2S6 — Properties & Data | MatWorld

NiP2S6

Mechanical Properties

Physical Properties

Electrical Properties

Other Properties

Regulatory Screening

Environmental

Export Control