H3AuC2NCl — Properties & Data | MatWorld

H3AuC2NCl

metal

· JVASP-86206· H3AuC2NCl

H3AuC2NCl is a gold-containing organometallic compound combining gold metal with organic ligands (cyanide and chloride groups), representing a specialized class of metal-organic hybrids typically encountered in research and specialty chemical synthesis rather than bulk engineering applications. While not a conventional structural material, compounds in this family are investigated for catalysis, materials chemistry, and potentially for advanced electronic or photonic applications where gold's properties are leveraged at the molecular scale. Engineers would encounter this material primarily in laboratory synthesis, process chemistry development, or as a precursor/intermediate in producing other functional materials—not as a primary load-bearing or thermomechanical component.

catalytic synthesisorganometallic researchgold-based precursorsspecialty chemicalsmaterials developmentlaboratory synthesis

Compliance & Regulations

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

Units:

si imperial

Property	Value	Unit	Conditions
Bulk Modulus(K)	14.37	GPa	DFT · OptB88vdW
Poisson's Ratio(ν)	0.3300	-	DFT · OptB88vdW
Shear Modulus(G)	7.300	GPa	DFT · OptB88vdW

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

Property	Value	Unit	Conditions	Source
Density(ρ)	4.018	kg/m³	DFT · OptB88vdW

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Method

Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)2 entries	3.443	eV	DFT · OptB88vdW
↳	3.946	eV	DFT · TBmBJ
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	3.914	-	DFT · OptB88vdW
↳	3.177	-	DFT · TBmBJ
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Thermoelectric Power Factor(PF)2 entries	0.00126	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.000726	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-261.1	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	281.4	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	0.05000	%	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)	0.2979	eV/atom	DFT · OptB88vdW
Formation Energy(ΔHf)	-0.03986	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

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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.

H3AuC2NCl

Mechanical Properties

Physical Properties

Electrical Properties

Other Properties

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