H6CIN
H6CIN is a metastable, insulating chemical compound composed of hydrogen, carbon, iodine, and nitrogen.
About H6CIN
H6CIN is an insulating material characterized by a wide electronic band gap. As a metastable compound, it represents a unique structural configuration that requires specific conditions for synthesis and stabilization within laboratory environments. Its electronic nature suggests it acts primarily as a dielectric or structural component rather than a conductive medium. The study of this material is essential for understanding the phase space of hydrogen-rich nitrogen-containing compounds. Its limited structural reports highlight its role as a niche subject in materials science, providing insights into the bonding behaviors of its constituent elements under varying conditions.
Key Properties
Cross-validated computational properties for H6CIN, 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 H6CIN, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 4.34 | 0.0582 | -4.779 | 2.29 |
| P21/m (No. 11) | monoclinic | 4.14 | 0.0584 | -4.778 | 2.14 |
| No. 0 | unknown | — | — | — | 1.11 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where H6CIN is used.
Frequently Asked Questions
Common questions about H6CIN, answered from cross-validated data.
What is H6CIN?
H6CIN is a metastable, insulating chemical compound composed of hydrogen, carbon, iodine, and nitrogen.
What is H6CIN used for?
What is the band gap of H6CIN?
Is H6CIN a metal, semiconductor, or insulator?
Is H6CIN thermodynamically stable?
What is the crystal structure of H6CIN?
What is the density of H6CIN?
How many polymorphs of H6CIN are known?
What elements does H6CIN contain?
Where does the data for H6CIN come from?
How It Compares
As a unique, unclassified material, H6CIN occupies a specialized position in chemical databases. Without direct structural siblings for comparison, it serves as an independent case study for metastable phases, offering a distinct example of how nitrogen and iodine interact within a hydrogen-rich framework to form an insulating solid.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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