Li3FeF6 — Properties & Data | MatWorld

Li3FeF6

metal

· JVASP-43762· Li3FeF6

Li₃FeF₆ is an inorganic lithium iron fluoride compound being investigated as a solid-state electrolyte and cathode material for next-generation lithium-ion battery systems. This fluoride-based material is primarily of research interest rather than established in commercial production, with its development driven by the need for improved ionic conductivity, thermal stability, and energy density in advanced battery chemistries compared to conventional liquid electrolytes and oxide-based materials.

solid-state battery electrolyteslithium-ion cathode materialshigh-energy-density energy storageelectric vehicle batteriesadvanced battery researchthermal stability applications

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	61.14	GPa	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2500	-	DFT · OptB88vdW
Shear Modulus(G)	38.87	GPa	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	3.005	kg/m³	DFT · OptB88vdW

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Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)	1.254	eV	DFT · OptB88vdW
High-Frequency Dielectric Constant (ε∞)(ε∞)	5.309	-	DFT · OptB88vdW
Magnetic Moment(μB)	10.00	µB	DFT · OptB88vdW
Thermoelectric Power Factor(PF)2 entries	0.0000340	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.000206	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-418	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	383.2	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)	0.03170	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-2.789	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.

Li3FeF6

Mechanical Properties

Physical Properties

Electrical Properties

Other Properties

Regulatory Screening

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