FeS2
metalIron disulfide (pyrite, FeS₂) is a naturally occurring mineral compound that has gained attention in materials research for potential applications in energy storage and photovoltaic devices due to its semiconducting properties and earth-abundant composition. While pyrite has historically been a byproduct in metallurgical processes, contemporary interest focuses on engineered forms for next-generation batteries, solar cells, and catalytic applications where cost-effectiveness and sustainability are critical drivers. Its layered crystal structure and moderate elastic stiffness make it a subject of investigation for alternative materials to replace scarcer transition metals in electrochemical and optoelectronic devices.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 145.9 | GPa | — | ||
| ↳ | 147.7 | GPa | — | ||
Exfoliation Energy(Eexf) | 50.57 | meV/atom | — | ||
Poisson's Ratio(ν) | 0.1700 | - | — | ||
Shear Modulus(G)2 entries | 135.1 | GPa | — | ||
| ↳ | 127.2 | GPa | — |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.852 | kg/m³ | — |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.8660 | eV | — | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 27.48 | - | — | ||
| ↳ | 28.18 | - | — | ||
| ↳ | 24.15 range 20.63–27.66median of 2 measurements | - | — | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | — | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | — | ||
Magnetic Moment(μB) | 0.000 | µB | — | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | — | ||
Seebeck Coefficient(S) | -364.6 | µV/K | — |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | — | ||
Formation Energy(ΔHf)2 entries | -0.5925 | eV/atom | — | ||
| ↳ | -0.6353 | eV/atom | — |