As24Ga16K16
As24Ga16K16 is a thermodynamically stable, semiconducting ternary compound consisting of arsenic, gallium, and potassium.
About As24Ga16K16
As24Ga16K16 is a complex ternary compound composed of arsenic, gallium, and potassium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system.
This material exhibits a semiconducting electronic character, making it an interesting candidate for electronic and optoelectronic research. Its structural stability is supported by multiple reported configurations across various databases, highlighting its significance in solid-state chemistry.
Key Properties
Cross-validated computational properties for As24Ga16K16, 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 As24Ga16K16, 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 | 1.67 | 0.0000 | -3.645 | 4.00 |
| — | — | — | — | — | 3.86 |
| — | — | — | — | — | 3.75 |
| — | — | — | — | — | 3.75 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.01 |
| — | — | — | — | — | 3.86 |
Applications
Where As24Ga16K16 is used.
Frequently Asked Questions
Common questions about As24Ga16K16, answered from cross-validated data.
What is As24Ga16K16?
As24Ga16K16 is a thermodynamically stable, semiconducting ternary compound consisting of arsenic, gallium, and potassium.
What is As24Ga16K16 used for?
What is the band gap of As24Ga16K16?
Is As24Ga16K16 a metal, semiconductor, or insulator?
Is As24Ga16K16 thermodynamically stable?
What is the crystal structure of As24Ga16K16?
What is the density of As24Ga16K16?
How many polymorphs of As24Ga16K16 are known?
What elements does As24Ga16K16 contain?
Where does the data for As24Ga16K16 come from?
How It Compares
As a unique ternary phase, As24Ga16K16 serves as a foundational example of how alkali metals can stabilize complex gallium-arsenide frameworks, providing a distinct structural template compared to simpler binary semiconductors.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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