Fe8S16Si4
Fe8S16Si4 is a semiconducting ternary compound consisting of iron, sulfur, and silicon that is currently of interest for structural and electronic research.
About Fe8S16Si4
Fe8S16Si4 is a complex ternary compound composed of iron, sulfur, and silicon. It exhibits semiconducting electronic behavior, positioning it as an interesting subject for fundamental research into how transition metals interact with chalcogenides and silicides.
While multiple structural configurations have been documented across databases, the compound is characterized as being thermodynamically above the hull. This suggests that it may be metastable under standard conditions, requiring specific synthesis pathways to stabilize its atomic arrangement.
Key Properties
Cross-validated computational properties for Fe8S16Si4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Fe8S16Si4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.32 | 0.2089 | -6.216 | 4.14 |
| Pnma (No. 62) | orthorhombic | 0.30 | 0.2504 | -6.175 | 3.59 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.2781 | -6.147 | 3.70 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.2847 | -6.141 | 4.03 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 3.98 |
| — | — | — | — | — | 3.98 |
Applications
Where Fe8S16Si4 is used.
Frequently Asked Questions
Common questions about Fe8S16Si4, answered from cross-validated data.
What is Fe8S16Si4?
Fe8S16Si4 is a semiconducting ternary compound consisting of iron, sulfur, and silicon that is currently of interest for structural and electronic research.
What is Fe8S16Si4 used for?
What is the band gap of Fe8S16Si4?
Is Fe8S16Si4 a metal, semiconductor, or insulator?
Is Fe8S16Si4 thermodynamically stable?
What is the crystal structure of Fe8S16Si4?
What is the density of Fe8S16Si4?
How many polymorphs of Fe8S16Si4 are known?
What elements does Fe8S16Si4 contain?
Where does the data for Fe8S16Si4 come from?
How It Compares
As a unique ternary phase, Fe8S16Si4 serves as a distinct case study for complex iron-based systems. Without direct structural analogs in its immediate class, it represents a specialized point in the compositional space of iron-sulfur-silicon materials, highlighting the structural diversity possible when combining these specific elements.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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