B1C3H12N1
B1C3H12N1 is a metastable, insulating compound composed of boron, carbon, nitrogen, and hydrogen.
About B1C3H12N1
B1C3H12N1 is an insulating material characterized by a wide electronic band gap. As a complex boron-carbon-nitrogen-hydrogen system, it represents a unique chemical arrangement that sits above the thermodynamic stability hull, suggesting it is a metastable species requiring specific synthesis conditions.
Because it exists in a state of relative instability, this compound is primarily of interest for fundamental structural studies and theoretical modeling. Its electronic properties make it a subject of investigation for those exploring the boundaries of insulating materials within the boron-nitrogen-carbon chemical space.
Key Properties
Cross-validated computational properties for B1C3H12N1, 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 B1C3H12N1, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 5.65 | 0.2159 | -5.088 | 0.69 |
| R3m (No. 160) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.21 |
Applications
Where B1C3H12N1 is used.
Frequently Asked Questions
Common questions about B1C3H12N1, answered from cross-validated data.
What is B1C3H12N1?
B1C3H12N1 is a metastable, insulating compound composed of boron, carbon, nitrogen, and hydrogen.
What is B1C3H12N1 used for?
What is the band gap of B1C3H12N1?
Is B1C3H12N1 a metal, semiconductor, or insulator?
Is B1C3H12N1 thermodynamically stable?
What is the crystal structure of B1C3H12N1?
What is the density of B1C3H12N1?
How many polymorphs of B1C3H12N1 are known?
What elements does B1C3H12N1 contain?
Where does the data for B1C3H12N1 come from?
How It Compares
As a singular entry in this specific chemical configuration, B1C3H12N1 serves as a distinct point of reference for researchers investigating metastable boron-based compounds. Without direct structural siblings, it stands as a unique case study in how complex light-element frameworks can be analyzed for potential electronic applications despite being energetically unfavorable.
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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