B4C8H40N4
B4C8H40N4 is an insulating, complex molecular compound containing boron, nitrogen, carbon, and hydrogen that is currently being studied for its structural properties.
About B4C8H40N4
B4C8H40N4 is a complex organic-inorganic hybrid compound composed of boron, carbon, hydrogen, and nitrogen. As a wide-gap insulating material, it exhibits electronic properties characteristic of dielectric substances, making it a subject of interest for fundamental structural studies in materials science. The compound is currently identified as being above the thermodynamic hull, suggesting that it may be metastable or require specific synthesis conditions to stabilize. Its existence within structural databases highlights the ongoing exploration of multi-element molecular frameworks.
Key Properties
Cross-validated computational properties for B4C8H40N4, 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 B4C8H40N4, 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 | 5.71 | 0.1818 | -5.024 | 0.62 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.10 |
| No. 0 | unknown | — | — | — | 0.20 |
Applications
Where B4C8H40N4 is used.
Frequently Asked Questions
Common questions about B4C8H40N4, answered from cross-validated data.
What is B4C8H40N4?
B4C8H40N4 is an insulating, complex molecular compound containing boron, nitrogen, carbon, and hydrogen that is currently being studied for its structural properties.
What is B4C8H40N4 used for?
What is the band gap of B4C8H40N4?
Is B4C8H40N4 a metal, semiconductor, or insulator?
Is B4C8H40N4 thermodynamically stable?
What is the crystal structure of B4C8H40N4?
What is the density of B4C8H40N4?
How many polymorphs of B4C8H40N4 are known?
What elements does B4C8H40N4 contain?
Where does the data for B4C8H40N4 come from?
How It Compares
As a unique entry in its structural category, this compound serves as a distinct point of reference for researchers investigating the stability and electronic behavior of complex boron-nitrogen-carbon architectures.
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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