C16H36Mn4N4O24
C16H36Mn4N4O24 is a wide-band-gap insulating manganese-organic hybrid compound that exists as a metastable structure in materials research.
About C16H36Mn4N4O24
C16H36Mn4N4O24 is a complex manganese-containing organic-inorganic hybrid compound characterized by its wide-band-gap insulating electronic nature. Its structural complexity and composition make it a subject of interest for fundamental materials research into coordination chemistry and molecular architecture.
While this compound is currently identified as being above the thermodynamic hull, its existence across multiple reported structures highlights its role in exploring metastable phase spaces. It serves as a specialized example of how manganese centers can be integrated into larger organic frameworks.
Key Properties
Cross-validated computational properties for C16H36Mn4N4O24, 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 C16H36Mn4N4O24, 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 | 3.48 | 0.1084 | -6.467 | 1.78 |
| P-1 (No. 2) | triclinic | 2.65 | 0.1132 | -6.462 | 1.72 |
| P21/c (No. 14) | monoclinic | 2.74 | 0.1184 | -7.045 | 1.79 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.48 |
Applications
Where C16H36Mn4N4O24 is used.
Frequently Asked Questions
Common questions about C16H36Mn4N4O24, answered from cross-validated data.
What is C16H36Mn4N4O24?
C16H36Mn4N4O24 is a wide-band-gap insulating manganese-organic hybrid compound that exists as a metastable structure in materials research.
What is C16H36Mn4N4O24 used for?
What is the band gap of C16H36Mn4N4O24?
Is C16H36Mn4N4O24 a metal, semiconductor, or insulator?
Is C16H36Mn4N4O24 thermodynamically stable?
What is the crystal structure of C16H36Mn4N4O24?
What is the density of C16H36Mn4N4O24?
How many polymorphs of C16H36Mn4N4O24 are known?
What elements does C16H36Mn4N4O24 contain?
Where does the data for C16H36Mn4N4O24 come from?
How It Compares
As a unique coordination complex, this compound occupies a niche position in materials science research, serving as a distinct example of manganese-based molecular systems that challenge conventional thermodynamic stability expectations.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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