GaH3NF3
This compound is a gallium-based molecular complex containing nitrogen and fluorine. It is primarily studied in the field of organometallic chemistry as a precursor for the deposition of thin films in semiconductor manufacturing.
Key Properties
Cross-validated computational properties for GaH3NF3, 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 GaH3NF3, 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. |
|---|---|---|---|---|---|
| Aem2 (No. 39) | orthorhombic | 5.31 | 0.0000 | -5.181 | 3.21 |
| Aem2 (No. 39) | — | — | — | — | — |
| Aem2 (No. 39) | Orthorhombic | — | — | — | 3.32 |
| Aem2 (No. 39) | Orthorhombic | — | — | — | 3.21 |
| Aem2 (No. 39) | Orthorhombic | — | — | — | 3.27 |
Applications
Where GaH3NF3 is used.
Frequently Asked Questions
Common questions about GaH3NF3, answered from cross-validated data.
What is GaH3NF3?
This compound is a gallium-based molecular complex containing nitrogen and fluorine. It is primarily studied in the field of organometallic chemistry as a precursor for the deposition of thin films in semiconductor manufacturing.
What is GaH3NF3 used for?
What is the band gap of GaH3NF3?
Is GaH3NF3 a metal, semiconductor, or insulator?
Is GaH3NF3 thermodynamically stable?
What is the crystal structure of GaH3NF3?
What is the density of GaH3NF3?
How many polymorphs of GaH3NF3 are known?
What elements does GaH3NF3 contain?
Where does the data for GaH3NF3 come from?
Related Compounds
Other Hydrogen Storage Hydrides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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