Nb3SBr7 — Properties & Data | MatWorld

Nb3SBr7

metal

· Nb3SBr7

Nb3SBr7 is a layered ternary halide compound combining niobium, sulfur, and bromine, representing an emerging class of hybrid metal-halide materials under active research investigation. This material belongs to the broader family of transition metal chalcohalides and is studied primarily for its potential in two-dimensional materials science and electronic applications, rather than traditional structural engineering. The layered crystal structure and weak interlayer bonding characteristic of this compound make it a candidate for exfoliation-based device fabrication, including applications in optoelectronics, energy storage, and quantum materials research.

experimental 2D materialsvan der Waals heterostructuresexfoliated thin filmsoptoelectronic devicesbattery/energy storage researchcondensed matter physics

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Units:

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Method

Property	Value	Unit	Conditions
Bulk Modulus(K)2 entries	12.52	GPa	DFT
↳	36.92	GPa	DFT · OptB88vdW
Exfoliation Energy(Eexf)	87.81	meV/atom	DFT · OptB88vdW
Poisson's Ratio(ν)	0.2600	-	DFT · OptB88vdW
Shear Modulus(G)2 entries	8.825	GPa	DFT
↳	22.71	GPa	DFT · OptB88vdW

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
Density(ρ)	5.127	kg/m³	DFT · OptB88vdW

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Carrier

Property	Value	Unit	Conditions
Band Gap(Eg)2 entries	0.7400	eV	DFT · OptB88vdW
↳	0.9650	eV	DFT · TBmBJ
Dielectric Constant (Relative Permittivity)(εr)	10.32	-	DFT · OptB88vdW
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries	9.286	-	DFT · OptB88vdW
↳	7.921	-	DFT · TBmBJ
Magnetic Moment(μB)	0.000	µB	DFT · OptB88vdW
Piezoelectric Modulus(eij)2 entries	0.1859	C/m²	DFT · OptB88vdW
↳	0.1500	C/m²	DFT · PBE
Piezoelectric Stress Tensor(eij)	Matrix (redacted)	C/m²	DFT · PBE
Thermoelectric Power Factor(PF)2 entries	0.000737	W/(m·K²)	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	0.000284	W/(m·K²)	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Seebeck Coefficient(S)2 entries	-319.5	μV/K	DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C
↳	394.8	μV/K	DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C
Spectroscopic Limited Maximum Efficiency (SLME)(SLME)	31.63	%	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)	-1.051	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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Nb3SBr7

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