LiZnPS4 — Properties & Data | MatWorld

LiZnPS4

ceramic

· LiZnPS4

LiZnPS4 is a lithium-zinc thiophosphate ceramic compound, a sulfide-based solid electrolyte material currently under research for next-generation energy storage applications. This material belongs to the family of superionic conductors being investigated as alternatives to liquid electrolytes in solid-state batteries, offering potential advantages in thermal stability, safety, and energy density compared to conventional lithium-ion chemistries. Its development reflects broader efforts in the battery industry to enable higher-performance, longer-cycle-life energy storage systems for electric vehicles and grid applications.

solid-state battery electrolyteslithium-ion alternativeselectrochemical energy storagehigh-temperature stability applicationsresearch-phase materialsnext-generation power systems

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	33.93	GPa	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2900	-	DFT · OptB88vdW
Shear Modulus(G)	18.00	GPa	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	2.592	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	2.864	eV	DFT · OptB88vdW
↳	3.422	eV	DFT · TBmBJ
Dielectric Constant (Relative Permittivity)(εr)2 entries	8.029	-	DFT · OptB88vdW
↳	6.438 range 5.072–7.804median of 2 measurements	-	DFT · PBEsol
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	5.650	-	DFT · OptB88vdW
↳	5.328	-	DFT · TBmBJ
Electron Effective Mass(m*e)	1.293	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	1.307	me	DFT · OptB88vdW · 27°C
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Piezoelectric Modulus(eij)2 entries	0.4901	C/m²	DFT · OptB88vdW
↳	0.03506	C/m²	DFT · PBE
Piezoelectric Stress Tensor(eij)	Matrix (redacted)	C/m²	DFT · PBE
Thermoelectric Power Factor(PF)2 entries	0.00102	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.00143	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-225.2	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	298	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	1.600	%	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)	-0.7259	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.

LiZnPS4

Mechanical Properties

Physical Properties

Electrical Properties

Other Properties

Regulatory Screening

Environmental