Ca3PCl3 — Properties & Data | MatWorld

Ca3PCl3

ceramic

· Ca3PCl3

Calcium phosphorus chloride (Ca₃PCl₃) is an inorganic ceramic compound combining calcium, phosphorus, and chlorine elements. This material belongs to the family of phosphate-based ceramics and is primarily of research interest rather than established commercial production. Ca₃PCl₃ and related phosphorus-containing ceramics are investigated for potential applications in bioceramics, solid electrolytes, and specialty refractory systems where the chemical stability of phosphate bonding and calcium's biocompatibility may offer advantages over conventional oxide ceramics.

bioceramics researchsolid electrolyte materialsrefractory compoundsphosphate ceramics developmentbone substitute candidatesadvanced ceramics R&D

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	44.20	GPa	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2300	-	DFT · OptB88vdW
Shear Modulus(G)	31.44	GPa	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	2.351	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	1.701	eV	DFT · OptB88vdW
↳	2.564	eV	DFT · TBmBJ
Dielectric Constant (Relative Permittivity)(εr)2 entries	10.60	-	DFT · PBE
↳	7.460 range 4.632–10.29median of 2 measurements	-	DFT · PBEsol
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	4.981	-	DFT · OptB88vdW
↳	3.973	-	DFT · TBmBJ
Electronic Dielectric Tensor(ε∞)	Matrix (redacted)	-	DFT · PBE
Total Dielectric Tensor(ε)	Matrix (redacted)	-	DFT · PBE
Electron Effective Mass(m*e)	0.6800	me	DFT · OptB88vdW · 27°C
Hole Effective Mass(m*h)	0.6200	me	DFT · OptB88vdW · 27°C
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Thermoelectric Power Factor(PF)2 entries	0.00258	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.00200	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-238.1	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	224	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	11.42	%	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)	-2.163	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.

Ca3PCl3

Mechanical Properties

Physical Properties

Electrical Properties

Other Properties

Regulatory Screening

Environmental