Li3NbS4 — Properties & Data | MatWorld

Li3NbS4

metal

· Li3NbS4

Li3NbS4 is a lithium niobium sulfide compound belonging to the family of lithium-based metal sulfides, typically studied as a solid-state electrolyte material rather than a structural metal. This is a research-phase material currently investigated for energy storage applications, particularly in all-solid-state lithium-ion and lithium-metal batteries, where it offers ionic conductivity combined with electrochemical stability. Engineers consider Li3NbS4 for next-generation battery systems seeking higher energy density and improved thermal stability compared to conventional liquid electrolytes, though commercial deployment remains limited and material synthesis and integration are still being optimized.

all-solid-state batterieslithium-ion electrolytessolid-state energy storagehigh-energy-density cellsthermal-stability applicationsion transport membranes

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	12.10	GPa	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2600	-	DFT · OptB88vdW
Shear Modulus(G)	8.700	GPa	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	1.885	kg/m³	DFT · OptB88vdW

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

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Method

Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)2 entries	2.685	eV	DFT · OptB88vdW
↳	3.069	eV	DFT · TBmBJ
Dielectric Constant (Relative Permittivity)(εr)2 entries	4.078	-	DFT · OptB88vdW
↳	3.599 range 3.131–4.067median of 2 measurements	-	DFT · PBEsol
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	4.670	-	DFT · OptB88vdW
↳	4.650	-	DFT · TBmBJ
Electron Effective Mass(m*e)	2.330	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	1.820	me	DFT · OptB88vdW · 27°C
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Piezoelectric Modulus(eij)2 entries	0.1500	C/m²	DFT · OptB88vdW
↳	0.00301	C/m²	DFT · PBE
Piezoelectric Stress Tensor(eij)	Matrix (redacted)	C/m²	DFT · PBE
Thermoelectric Power Factor(PF)2 entries	0.00138	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.00169	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
↳	372.4	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	3.800	%	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.

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Property	Value	Unit	Conditions	Source
Energy Above Hull(ΔEhull)	0.07460	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-1.213	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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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.

Li3NbS4

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