Cu3PS4 — Properties & Data | MatWorld

Cu3PS4

metal

· JVASP-9450· Cu3PS4

Cu3PS4 is a ternary copper phosphide sulfide compound that belongs to the family of mixed-anion metal chalcogenides. This is a research-stage material primarily investigated for its potential in energy storage and photocatalytic applications, rather than an established commercial material. It represents an emerging class of earth-abundant alternatives to conventional semiconductors and battery materials, with particular interest in lithium-ion battery anodes and photocatalytic water splitting due to its mixed valency and tunable electronic properties.

battery anodes (research)energy storage (emerging)photocatalytic materialssemiconductor researchelectrochemical devicessustainable energy conversion

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	79.56	GPa	DFT · OptB88vdW
Poisson's Ratio(ν)	0.3100	-	DFT · OptB88vdW
Shear Modulus(G)	35.07	GPa	DFT · OptB88vdW

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Property	Value	Unit	Conditions	Source
Density(ρ)	4.116	kg/m³	DFT · OptB88vdW

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Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)	1.076	eV	DFT · OptB88vdW
High-Frequency Dielectric Constant (ε∞)(ε∞)	9.885	-	DFT · OptB88vdW
Electron Effective Mass(m*e)	0.3933	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	1.180	me	DFT · OptB88vdW · 27°C
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Thermoelectric Power Factor(PF)2 entries	0.00227	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.00165	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-246.1	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	304.4	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)	-0.3251	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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Cu3PS4

Mechanical Properties

Physical Properties

Electrical Properties

Other Properties

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