Cl12Fe4K4
Cl12Fe4K4 is a metastable, semimetallic compound consisting of iron, chlorine, and potassium atoms.
About Cl12Fe4K4
Cl12Fe4K4 is a complex inorganic compound composed of iron, chlorine, and potassium. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that bridge the gap between conductors and insulators.
As a metastable phase, this compound represents a specific structural arrangement that is of interest in fundamental materials research. Its existence across multiple databases highlights its role as a subject of ongoing investigation in solid-state chemistry.
Key Properties
Cross-validated computational properties for Cl12Fe4K4, 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 Cl12Fe4K4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.05 | 0.0313 | -4.604 | 2.71 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 2.27 |
| — | — | — | — | — | 2.27 |
| — | — | — | — | — | 2.27 |
Applications
Where Cl12Fe4K4 is used.
Frequently Asked Questions
Common questions about Cl12Fe4K4, answered from cross-validated data.
What is Cl12Fe4K4?
Cl12Fe4K4 is a metastable, semimetallic compound consisting of iron, chlorine, and potassium atoms.
What is Cl12Fe4K4 used for?
What is the band gap of Cl12Fe4K4?
Is Cl12Fe4K4 a metal, semiconductor, or insulator?
Is Cl12Fe4K4 thermodynamically stable?
What is the crystal structure of Cl12Fe4K4?
What is the density of Cl12Fe4K4?
How many polymorphs of Cl12Fe4K4 are known?
What elements does Cl12Fe4K4 contain?
Where does the data for Cl12Fe4K4 come from?
How It Compares
As a unique inorganic system, Cl12Fe4K4 serves as a distinct example of iron-based halide chemistry. It functions as a specialized structural candidate within the broader landscape of metastable metal-halide complexes, providing researchers with insights into the electronic behavior of transition metal systems that do not conform to standard insulating or metallic profiles.
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).
Analyze Cl12Fe4K4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →