MnCO
This compound is a metal carbonyl complex containing manganese. It is primarily utilized as a precursor in organometallic synthesis and as a catalyst in various chemical transformations.
Overview
Key Properties
Cross-validated computational properties for MnCO, aggregated across 4 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.
0.43–2.64 eV
Range across DFT structures
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.
0.611 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
17
4 databases, 10 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MnCO, 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 | 2.64 | 0.6111 | -8.064 | 2.60 |
| C2/c (No. 15) | monoclinic | 1.01 | 0.6558 | -8.019 | 2.46 |
| C2/c (No. 15) | monoclinic | 0.43 | 1.5161 | -7.119 | 0.86 |
| C2/m (No. 12) | monoclinic | 0.00 | 1.6225 | -7.013 | 1.00 |
| Pm (No. 6) | — | — | — | — | — |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.08 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 3.84 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.80 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.71 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 4.12 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.34 |
Uses
Applications
Where MnCO is used.
Organometallic synthesisCatalysisChemical research
Reference
Frequently Asked Questions
Common questions about MnCO, answered from cross-validated data.
What is MnCO?
This compound is a metal carbonyl complex containing manganese. It is primarily utilized as a precursor in organometallic synthesis and as a catalyst in various chemical transformations.
More questions
What is MnCO used for?
MnCO is used in organometallic synthesis, catalysis, and chemical research.
What is the band gap of MnCO?
MnCO has a DFT-computed band gap of 0.43–2.64 eV across 17 reported structures.
Is MnCO a metal, semiconductor, or insulator?
With a band gap up to 2.64 eV it is a semiconductor.
Is MnCO thermodynamically stable?
MnCO has a lowest energy above hull of 0.611 eV/atom (above hull).
What is the crystal structure of MnCO?
The lowest-energy reported polymorph of MnCO is monoclinic symmetry, space group C2/c (No. 15).
What is the density of MnCO?
The computed density of the ground-state structure of MnCO is 2.60 g/cm³.
How many polymorphs of MnCO are known?
17 structures of MnCO are reported across 4 databases, spanning 10 distinct space groups.
What elements does MnCO contain?
MnCO contains C, Mn, and O (3 elements).
Where does the data for MnCO come from?
MnCO data is cross-referenced from materials_project, jarvis, mpaloe, cod.
Explore
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze MnCO in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →