Li3VS4 — Properties & Data | MatWorld

Li3VS4

metal

· Li3VS4

Li3VS4 is a lithium vanadium sulfide compound being investigated as a solid-state electrolyte and electrode material for next-generation battery systems. This material belongs to the thiophosphate family of solid electrolytes, which are candidates for replacing conventional liquid electrolytes in lithium-ion and lithium-metal batteries due to their potential for higher energy density, improved safety, and enhanced cycle life. While still in the research and development phase, Li3VS4 is notable for its ionic conductivity in the solid state and compatibility with lithium metal anodes—making it relevant to engineers designing advanced energy storage systems where conventional liquid electrolytes present thermal or dendrite-formation risks.

solid-state battery electrolyteslithium-metal battery systemshigh-energy-density energy storageelectric vehicle battery developmentresearch-stage materialsionic conductor applications

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	1,968.2	ksi	DFT · OptB88vdW
Poisson's Ratio(ν)	0.3000	-	DFT · OptB88vdW
Shear Modulus(G)	1,171.9	ksi	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	0.06001	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	1.821	eV	DFT · OptB88vdW
↳	2.122	eV	DFT · TBmBJ
Dielectric Constant (Relative Permittivity)(εr)3 entries	4.204	-	DFT · OptB88vdW
↳	4.150	-	DFT · PBE
↳	3.711 range 3.238–4.184median of 2 measurements	-	DFT · PBEsol
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	5.099	-	DFT · OptB88vdW
↳	5.091	-	DFT · TBmBJ
Electronic Dielectric Tensor(ε∞)	Matrix (redacted)	-	DFT · PBE
Total Dielectric Tensor(ε)	Matrix (redacted)	-	DFT · PBE
Electron Effective Mass(m*e)	2.650	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	1.590	me	DFT · OptB88vdW · 27°C
Piezoelectric Modulus(eij)2 entries	0.07626	C/m²	DFT · OptB88vdW
↳	0.04087	C/m²	DFT · PBE
Piezoelectric Stress Tensor(eij)	Matrix (redacted)	C/m²	DFT · PBE
Thermoelectric Power Factor(PF)2 entries	0.00110	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.00186	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-370.3	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	360.6	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	20.37	%	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)	0.02660	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-1.196	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.

Li3VS4

Mechanical Properties

Physical Properties

Electrical Properties

Other Properties

Regulatory Screening

Environmental

Export Control