C10H22Mn2N2O12
This is a manganese-containing coordination compound characterized by insulating electronic properties and a complex organic-inorganic structure.
About C10H22Mn2N2O12
C10H22Mn2N2O12 is a complex coordination compound featuring manganese centers integrated within an organic framework. As a wide-band-gap insulating material, it exhibits electronic properties characteristic of localized bonding environments common in metal-organic architectures.
While this compound is currently identified as being above the thermodynamic hull, its existence across multiple reported structures highlights its significance in fundamental coordination chemistry. It serves as a subject of interest for researchers investigating the synthesis and stability of manganese-nitrogen-oxygen networks.
Key Properties
Cross-validated computational properties for C10H22Mn2N2O12, 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 C10H22Mn2N2O12, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 3.56 | 0.1111 | -6.345 | 1.68 |
| Cc (No. 9) | monoclinic | 2.93 | 0.1321 | -6.324 | 1.74 |
| No. 0 | unknown | — | — | — | 0.43 |
| No. 0 | unknown | — | — | — | 0.43 |
| No. 0 | unknown | — | — | — | 0.43 |
| Cc (No. 9) | — | — | — | — | — |
| Cc (No. 9) | monoclinic | — | — | — | 0.43 |
Applications
Where C10H22Mn2N2O12 is used.
Frequently Asked Questions
Common questions about C10H22Mn2N2O12, answered from cross-validated data.
What is C10H22Mn2N2O12?
This is a manganese-containing coordination compound characterized by insulating electronic properties and a complex organic-inorganic structure.
What is C10H22Mn2N2O12 used for?
What is the band gap of C10H22Mn2N2O12?
Is C10H22Mn2N2O12 a metal, semiconductor, or insulator?
Is C10H22Mn2N2O12 thermodynamically stable?
What is the crystal structure of C10H22Mn2N2O12?
What is the density of C10H22Mn2N2O12?
How many polymorphs of C10H22Mn2N2O12 are known?
What elements does C10H22Mn2N2O12 contain?
Where does the data for C10H22Mn2N2O12 come from?
How It Compares
As a specialized coordination complex, this compound represents a unique structural arrangement within the broader landscape of manganese-organic materials. It serves as a distinct case study for understanding the stability and synthetic pathways of metal-organic frameworks that deviate from the most common, highly stable structural motifs.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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