LiNbS2 — Properties & Data | MatWorld

LiNbS2

metal

· LiNbS2

LiNbS2 is an experimental ternary metal sulfide compound combining lithium, niobium, and sulfur, belonging to the family of layered metal chalcogenides under active research for electrochemical and solid-state applications. This material is primarily investigated in battery research and solid electrolyte development, where its ionic conductivity and structural properties position it as a candidate for next-generation lithium-ion and solid-state battery systems. While not yet widely commercialized, LiNbS2 represents the broader class of sulfide-based materials that offer advantages in ionic transport and thermal stability compared to oxide ceramics, making it of particular interest to researchers developing high-energy-density energy storage systems.

Solid-state battery electrolytesLithium-ion battery materialsEnergy storage researchIonic conductorsElectrochemical devicesMaterials research and development

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Units:

si imperial

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Method

Property	Value	Unit	Conditions
Bulk Modulus(K)2 entries	82.54	GPa	DFT
↳	85.96	GPa	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2200	-	DFT · OptB88vdW
Shear Modulus(G)2 entries	56.93	GPa	DFT
↳	59.59	GPa	DFT · OptB88vdW

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
Density(ρ)	4.264	kg/m³	DFT · OptB88vdW

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Method

Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)	0.7870	eV	DFT · OptB88vdW
Dielectric Constant (Relative Permittivity)(εr)3 entries	16.97	-	DFT · OptB88vdW
↳	15.48	-	DFT · PBE
↳	13.53 range 12.09–14.97median of 2 measurements	-	DFT · PBEsol
High-Frequency Dielectric Constant (ε∞)(ε∞)	13.20	-	DFT · OptB88vdW
Electronic Dielectric Tensor(ε∞)	Matrix (redacted)	-	DFT · PBE
Total Dielectric Tensor(ε)	Matrix (redacted)	-	DFT · PBE
Electron Effective Mass(m*e)	0.6100	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	0.4733	me	DFT · OptB88vdW · 27°C
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Piezoelectric Modulus(eij)	0.000	C/m²	DFT · OptB88vdW
Thermoelectric Power Factor(PF)2 entries	0.00346	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.000738	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-271.4	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	127.6	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	22.46	%	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)	0.000	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-1.428	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.

LiNbS2

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