Li4Ni3O2F6 — Properties & Data | MatWorld

Li4Ni3O2F6

ceramic

· JVASP-46889· Li4Ni3O2F6

Li4Ni3O2F6 is an experimental ceramic compound belonging to the lithium nickel oxyfluoride family, designed as a potential cathode material for advanced lithium-ion battery systems. This material is primarily investigated in battery research laboratories rather than established commercial production, where it combines lithium and nickel redox activity with fluoride anion chemistry to achieve high energy density and improved electrochemical performance. Engineers and researchers are interested in this compound for next-generation energy storage applications where conventional layered oxide cathodes face limitations in capacity, voltage, or cycle life.

lithium-ion battery cathodesenergy storage researchhigh-energy-density batterieselectric vehicle power systemssolid-state battery developmentelectrochemical energy conversion

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	81.58	GPa	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2700	-	DFT · OptB88vdW
Shear Modulus(G)	43.85	GPa	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	4.056	kg/m³	DFT · OptB88vdW

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

Filter by

Method

Property	Value	Unit	Conditions
Band Gap(Eg)2 entries	0.3730	eV	DFT · OptB88vdW
↳	3.983	eV	DFT · TBmBJ
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	45.97	-	DFT · OptB88vdW
↳	1.511	-	DFT · TBmBJ
Magnetic Moment(μB)	5.985	µB	DFT · OptB88vdW
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	0.02000	%	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)	0.1379	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-2.122	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

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.

Li4Ni3O2F6

Mechanical Properties

Physical Properties

Electrical Properties

Other Properties

Regulatory Screening

Environmental