Ga2Na6Se6
Ga2Na6Se6 is a thermodynamically stable semiconducting compound composed of gallium, sodium, and selenium.
About Ga2Na6Se6
Ga2Na6Se6 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement of gallium, sodium, and selenium atoms. Its structural integrity makes it a subject of interest for researchers investigating the fundamental properties of alkali-metal gallium selenides. This compound serves as a model for understanding how specific stoichiometry influences the electronic landscape in multinary chalcogenide systems. Its stability suggests potential for integration into specialized optoelectronic or solid-state device architectures where reliable material performance is required.
Key Properties
Cross-validated computational properties for Ga2Na6Se6, 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 Ga2Na6Se6, 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 | 2.08 | 0.0000 | -3.666 | 3.52 |
| No. 0 | unknown | — | — | — | 0.51 |
| — | — | — | — | — | 3.35 |
| — | — | — | — | — | 3.35 |
Applications
Where Ga2Na6Se6 is used.
Frequently Asked Questions
Common questions about Ga2Na6Se6, answered from cross-validated data.
What is Ga2Na6Se6?
Ga2Na6Se6 is a thermodynamically stable semiconducting compound composed of gallium, sodium, and selenium.
What is Ga2Na6Se6 used for?
What is the band gap of Ga2Na6Se6?
Is Ga2Na6Se6 a metal, semiconductor, or insulator?
Is Ga2Na6Se6 thermodynamically stable?
What is the crystal structure of Ga2Na6Se6?
What is the density of Ga2Na6Se6?
How many polymorphs of Ga2Na6Se6 are known?
What elements does Ga2Na6Se6 contain?
Where does the data for Ga2Na6Se6 come from?
How It Compares
As a unique ternary compound within the broader family of alkali-metal chalcogenides, Ga2Na6Se6 occupies a distinct position due to its specific stoichiometric balance and thermodynamic stability. It serves as a representative example of how the combination of group 1 and group 13 elements with chalcogens can yield stable, semiconducting frameworks that are distinct from simpler binary counterparts.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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