FeCO
This compound is a metal carbonyl complex consisting of iron and carbon monoxide. It is primarily studied in the context of organometallic chemistry and surface science, often serving as a precursor or intermediate in the synthesis of specialized iron-containing materials.
Key Properties
Cross-validated computational properties for FeCO, 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 FeCO, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.48 | 0.6122 | -7.899 | 2.80 |
| Cc (No. 9) | monoclinic | 2.29 | 0.7118 | -7.799 | 2.31 |
| C2/m (No. 12) | monoclinic | 0.00 | 1.1164 | -7.380 | 1.90 |
| No. 0 | unknown | — | — | — | 0.58 |
| No. 0 | unknown | — | — | — | 0.61 |
| No. 0 | unknown | — | — | — | 0.68 |
| No. 0 | unknown | — | — | — | 0.54 |
| No. 0 | unknown | — | — | — | 0.68 |
| No. 0 | unknown | — | — | — | 0.49 |
| No. 0 | unknown | — | — | — | 0.50 |
| No. 0 | unknown | — | — | — | 0.67 |
| No. 0 | unknown | — | — | — | 0.68 |
Applications
Where FeCO is used.
Frequently Asked Questions
Common questions about FeCO, answered from cross-validated data.
What is FeCO?
This compound is a metal carbonyl complex consisting of iron and carbon monoxide. It is primarily studied in the context of organometallic chemistry and surface science, often serving as a precursor or intermediate in the synthesis of specialized iron-containing materials.
What is FeCO used for?
What is the band gap of FeCO?
Is FeCO a metal, semiconductor, or insulator?
Is FeCO thermodynamically stable?
What is the crystal structure of FeCO?
What is the density of FeCO?
How many polymorphs of FeCO are known?
What elements does FeCO contain?
Where does the data for FeCO come from?
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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