Ga4I12
Ga4I12 is a thermodynamically stable, semiconducting inorganic compound composed of gallium and iodine.
About Ga4I12
Ga4I12 is a distinct gallium-iodine compound that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined as semiconducting, making it an intriguing subject for fundamental studies in inorganic chemistry and solid-state physics.
With multiple reported structures across various databases, this material is well-documented for its compositional stability. It serves as a valuable example of how gallium and iodine can organize into complex, stable architectures that exhibit semiconducting behavior.
Key Properties
Cross-validated computational properties for Ga4I12, aggregated across 4 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 Ga4I12, 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 | 2.37 | 0.0000 | -2.684 | 4.19 |
| — | — | — | — | — | 2.23 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 4.31 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 4.10 |
Frequently Asked Questions
Common questions about Ga4I12, answered from cross-validated data.
What is Ga4I12?
Ga4I12 is a thermodynamically stable, semiconducting inorganic compound composed of gallium and iodine.
What is the band gap of Ga4I12?
Is Ga4I12 a metal, semiconductor, or insulator?
Is Ga4I12 thermodynamically stable?
What is the crystal structure of Ga4I12?
What is the density of Ga4I12?
How many polymorphs of Ga4I12 are known?
What elements does Ga4I12 contain?
Where does the data for Ga4I12 come from?
How It Compares
As a unique inorganic compound, Ga4I12 represents a specific stoichiometric arrangement within the gallium-iodine system. It stands out due to its confirmed thermodynamic stability, which distinguishes it from more transient or metastable phases that may appear in this chemical space.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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