Cl14Fe2Se2
Cl14Fe2Se2 is a stable, semiconducting iron-based compound that serves as a unique structural variant in the study of iron-chalcogenide materials.
About Cl14Fe2Se2
Cl14Fe2Se2 is a thermodynamically stable compound within the iron-based material family. Characterized by its semiconducting electronic behavior, it represents a distinct structural arrangement within the iron-chalcogen-halide system, providing researchers with a stable platform for investigating iron-based electronic properties.
This material is of significant interest to the scientific community due to its presence on the convex hull, indicating high stability. Its structural data, documented across multiple databases, allows for a deeper understanding of how iron-based frameworks can be tuned through halogen incorporation.
Key Properties
Cross-validated computational properties for Cl14Fe2Se2, 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 Cl14Fe2Se2, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.32 | 0.0000 | -3.775 | 2.49 |
| P1 (No. 1) | — | — | — | — | — |
| — | — | — | — | — | 2.29 |
Applications
Where Cl14Fe2Se2 is used.
Frequently Asked Questions
Common questions about Cl14Fe2Se2, answered from cross-validated data.
What is Cl14Fe2Se2?
Cl14Fe2Se2 is a stable, semiconducting iron-based compound that serves as a unique structural variant in the study of iron-chalcogenide materials.
What is Cl14Fe2Se2 used for?
What is the band gap of Cl14Fe2Se2?
Is Cl14Fe2Se2 a metal, semiconductor, or insulator?
Is Cl14Fe2Se2 thermodynamically stable?
What is the crystal structure of Cl14Fe2Se2?
What is the density of Cl14Fe2Se2?
How many polymorphs of Cl14Fe2Se2 are known?
What elements does Cl14Fe2Se2 contain?
Where does the data for Cl14Fe2Se2 come from?
How It Compares
Within the iron-based superconductors class.
While many members of the iron-based class, such as FeSe, are widely recognized for their superconducting properties, Cl14Fe2Se2 distinguishes itself through its semiconducting nature and unique chemical composition. Unlike the binary iron chalcogenides like FeSe2 or the pnictide-based structures like As4Fe2, this compound incorporates chlorine to modify the electronic environment, offering a different pathway for material design compared to standard iron arsenides or tellurides.
Related Compounds
Other Iron-Based Superconductors in the database.
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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