Cl2Fe2Mo2O8
Cl2Fe2Mo2O8 is a semiconducting iron molybdenum oxychloride that is considered a promising candidate for experimental synthesis.
About Cl2Fe2Mo2O8
Cl2Fe2Mo2O8 is a complex oxychloride containing iron and molybdenum. As a semiconducting material, it represents a unique intersection of transition metal chemistry and halide-oxide coordination, providing a distinct electronic environment for potential functional applications. Its status as a near-hull phase suggests that it is a viable target for experimental synthesis, making it a compelling subject for materials discovery efforts. The structural complexity inherent in this compound allows for interesting magnetic and electronic behaviors that are characteristic of mixed-anion transition metal systems. By bridging the gap between simple oxides and halides, this compound serves as a valuable model for understanding structural stability and electronic tuning in multi-component inorganic frameworks.
Key Properties
Cross-validated computational properties for Cl2Fe2Mo2O8, aggregated across 2 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 Cl2Fe2Mo2O8, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 1.57 | 0.0175 | -7.597 | 3.22 |
| P21/m (No. 11) | monoclinic | 1.57 | 0.0181 | -7.597 | 3.24 |
| P4mm (No. 99) | tetragonal | 1.87 | 0.0259 | -7.589 | 3.30 |
| P4/nmm (No. 129) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
Applications
Where Cl2Fe2Mo2O8 is used.
Patent Landscape
3 patents reference Cl2Fe2Mo2O8 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 8248032 | Charging system for prioritizing load consumption in a notebook computer | — | — |
| 8263193 | Vacuum treatment method | — | — |
| 8268035 | Process for producing refractory metal alloy powders | — | — |
Frequently Asked Questions
Common questions about Cl2Fe2Mo2O8, answered from cross-validated data.
What is Cl2Fe2Mo2O8?
Cl2Fe2Mo2O8 is a semiconducting iron molybdenum oxychloride that is considered a promising candidate for experimental synthesis.
What is Cl2Fe2Mo2O8 used for?
What is the band gap of Cl2Fe2Mo2O8?
Is Cl2Fe2Mo2O8 a metal, semiconductor, or insulator?
Is Cl2Fe2Mo2O8 thermodynamically stable?
What is the crystal structure of Cl2Fe2Mo2O8?
What is the density of Cl2Fe2Mo2O8?
How many polymorphs of Cl2Fe2Mo2O8 are known?
What elements does Cl2Fe2Mo2O8 contain?
Where does the data for Cl2Fe2Mo2O8 come from?
How It Compares
As a specialized oxychloride, this compound occupies a unique niche in inorganic materials science, serving as a distinct example of how incorporating chlorine into a metal-oxide framework can modulate electronic and structural properties compared to conventional transition metal oxides.
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).
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