LiCrS2 — Properties & Data | MatWorld

LiCrS2

metal

· LiCrS2

LiCrS2 is a lithium chromium sulfide compound that belongs to the family of layered transition metal sulfides, materials of significant interest in energy storage and solid-state chemistry research. This is an experimental/research material rather than an established commercial alloy, investigated primarily for its potential in lithium-ion battery cathodes and solid electrolyte applications due to the favorable ionic transport properties inherent to its layered crystal structure. Engineers considering LiCrS2 would do so in advanced battery development contexts where high energy density and improved thermal stability are priorities, though the material remains in the research phase and faces challenges in scalability and cycle life compared to conventional cathode materials.

lithium-ion battery cathodessolid-state battery researchenergy storage systemssolid electrolyte materialselectrochemical devices

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	59.23	GPa	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2500	-	DFT · OptB88vdW
Shear Modulus(G)	34.84	GPa	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	3.253	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)	0.7110	eV	DFT · OptB88vdW
Dielectric Constant (Relative Permittivity)(εr)2 entries	18.02	-	DFT · OptB88vdW
↳	17.60	-	DFT · PBE
High-Frequency Dielectric Constant (ε∞)(ε∞)	80.11	-	DFT · OptB88vdW
Electronic Dielectric Tensor(ε∞)	Matrix (redacted)	-	DFT · PBE
Total Dielectric Tensor(ε)	Matrix (redacted)	-	DFT · PBE
Electron Effective Mass(m*e)	0.8833	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	1.857	me	DFT · OptB88vdW · 27°C
Magnetic Moment(μB)	3.000	µB	DFT · OptB88vdW
Piezoelectric Modulus(eij)	0.000	C/m²	DFT · OptB88vdW
Thermoelectric Power Factor(PF)2 entries	0.00199	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.00175	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-244.9	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	349	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)	0.000	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-1.101	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.

LiCrS2

Mechanical Properties

Physical Properties

Electrical Properties

Other Properties

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