H16Cl32Ga16
H16Cl32Ga16 is a thermodynamically stable, wide-band-gap insulating compound composed of gallium, chlorine, and hydrogen.
About H16Cl32Ga16
H16Cl32Ga16 is a complex inorganic compound characterized by its insulating electronic nature and wide-band-gap behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of gallium, chlorine, and hydrogen atoms.
This material is of interest for researchers studying the fundamental properties of halogenated gallium systems. Its stability suggests potential for specialized applications where insulating electronic properties are required in a chemically complex environment.
Key Properties
Cross-validated computational properties for H16Cl32Ga16, 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 H16Cl32Ga16, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 4.79 | 0.0000 | -3.612 | 2.46 |
| — | — | — | — | — | 2.99 |
| — | — | — | — | — | 2.25 |
| No. 0 | unknown | — | — | — | 0.32 |
Frequently Asked Questions
Common questions about H16Cl32Ga16, answered from cross-validated data.
What is H16Cl32Ga16?
H16Cl32Ga16 is a thermodynamically stable, wide-band-gap insulating compound composed of gallium, chlorine, and hydrogen.
What is the band gap of H16Cl32Ga16?
Is H16Cl32Ga16 a metal, semiconductor, or insulator?
Is H16Cl32Ga16 thermodynamically stable?
What is the crystal structure of H16Cl32Ga16?
What is the density of H16Cl32Ga16?
How many polymorphs of H16Cl32Ga16 are known?
What elements does H16Cl32Ga16 contain?
Where does the data for H16Cl32Ga16 come from?
How It Compares
As a unique inorganic system, H16Cl32Ga16 serves as a distinct example of how gallium and chlorine can coordinate with hydrogen to form a stable, wide-gap insulating framework, providing a baseline for future exploration of similar halide-based structures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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