Fe4Sb4Se4
Fe4Sb4Se4 is a thermodynamically stable semiconducting compound containing iron, antimony, and selenium that belongs to the bismuth chalcogenide class of materials.
About Fe4Sb4Se4
Fe4Sb4Se4 is a semiconducting material characterized by its inclusion in the bismuth chalcogenide family of thermoelectrics. As a thermodynamically stable phase residing on the convex hull, it represents a structurally robust candidate for electronic and energy-related research.
Its unique composition of iron, antimony, and selenium positions it as a distinct member of the chalcogenide class. Given its status as a stable compound with multiple reported structures across databases, it serves as a significant subject for investigating property-structure relationships in complex semiconducting systems.
Key Properties
Cross-validated computational properties for Fe4Sb4Se4, 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 Fe4Sb4Se4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.62 | 0.0000 | -5.858 | 7.91 |
| — | — | — | — | — | 7.58 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 4.67 |
Applications
Where Fe4Sb4Se4 is used.
Frequently Asked Questions
Common questions about Fe4Sb4Se4, answered from cross-validated data.
What is Fe4Sb4Se4?
Fe4Sb4Se4 is a thermodynamically stable semiconducting compound containing iron, antimony, and selenium that belongs to the bismuth chalcogenide class of materials.
What is Fe4Sb4Se4 used for?
What is the band gap of Fe4Sb4Se4?
Is Fe4Sb4Se4 a metal, semiconductor, or insulator?
Is Fe4Sb4Se4 thermodynamically stable?
What is the crystal structure of Fe4Sb4Se4?
What is the density of Fe4Sb4Se4?
How many polymorphs of Fe4Sb4Se4 are known?
What elements does Fe4Sb4Se4 contain?
Where does the data for Fe4Sb4Se4 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Unlike the prototypical bismuth-based thermoelectrics such as Bi2Te3 or Sb2Se3, which are widely utilized for their optimized transport properties, Fe4Sb4Se4 incorporates iron into the lattice to offer a different electronic profile. While many class members like Ge2Sb2Te5 are heavily studied for phase-change memory, this iron-bearing compound provides a unique structural alternative within the broader chalcogenide landscape.
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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