C8H44Mg4N4O40
This compound is a complex magnesium-based coordination structure incorporating organic components. It is primarily utilized in advanced chemical research for the study of metal-organic frameworks and their potential for molecular storage or catalytic processes.
Key Properties
Cross-validated computational properties for C8H44Mg4N4O40, 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 C8H44Mg4N4O40, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.46 | 0.2136 | -5.898 | 1.55 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.41 |
Applications
Where C8H44Mg4N4O40 is used.
Frequently Asked Questions
Common questions about C8H44Mg4N4O40, answered from cross-validated data.
What is C8H44Mg4N4O40?
This compound is a complex magnesium-based coordination structure incorporating organic components. It is primarily utilized in advanced chemical research for the study of metal-organic frameworks and their potential for molecular storage or catalytic processes.
What is C8H44Mg4N4O40 used for?
What is the band gap of C8H44Mg4N4O40?
Is C8H44Mg4N4O40 a metal, semiconductor, or insulator?
Is C8H44Mg4N4O40 thermodynamically stable?
What is the crystal structure of C8H44Mg4N4O40?
What is the density of C8H44Mg4N4O40?
How many polymorphs of C8H44Mg4N4O40 are known?
What elements does C8H44Mg4N4O40 contain?
Where does the data for C8H44Mg4N4O40 come from?
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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