BaCu2S2 — Properties & Data | MatWorld

BaCu2S2

Name: BaCu2S2
Brand: MatWorld

metal

· JVASP-8055· BaCu2S2

BaCu₂S₂ is a ternary metal sulfide compound combining barium, copper, and sulfur—a research-stage material not yet in widespread commercial production. This compound falls within the family of metal chalcogenides, which have attracted recent attention for potential applications in thermoelectric devices, photovoltaic materials, and solid-state electronics where mixed-metal sulfides offer tunable electronic properties. While currently exploratory rather than an established engineering material, compounds in this class are being investigated for their ability to operate at intermediate temperatures and their potential to replace scarcer or more toxic elements in functional ceramics and semiconductors.

thermoelectric devices (research)photovoltaic absorbers (experimental)solid-state electronicsheat-to-electricity conversionsemiconductor thin filmsmaterials substitution research

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	70.41	GPa	DFT · OptB88vdW
Poisson's Ratio(ν)	0.3100	-	DFT · OptB88vdW
Shear Modulus(G)	31.63	GPa	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	5.614	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	0.5720	eV	DFT · OptB88vdW
↳	1.263	eV	DFT · TBmBJ
Dielectric Constant (Relative Permittivity)(εr)	28.67	-	DFT · OptB88vdW
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	10.61	-	DFT · OptB88vdW
↳	7.220	-	DFT · TBmBJ
Electron Effective Mass(m*e)	0.9433	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	1.610	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	0.00142	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.00218	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-118.6	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	388.3	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	33.25	%	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)	0.01990	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-1.028	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.

BaCu2S2

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Physical Properties

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