Ga8K16P16
Ga8K16P16 is a thermodynamically stable semiconducting compound containing gallium, potassium, and phosphorus.
About Ga8K16P16
Ga8K16P16 is a distinct ternary compound composed of gallium, potassium, and phosphorus. It is characterized by its semiconducting electronic nature and sits firmly on the convex hull, indicating it is a thermodynamically stable phase under standard conditions.
This material is of interest to researchers investigating complex pnictide frameworks. Its stability and electronic properties make it a subject of study for those exploring new pathways in semiconductor physics and solid-state chemistry.
Key Properties
Cross-validated computational properties for Ga8K16P16, 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 Ga8K16P16, 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 | 1.23 | 0.0000 | -3.678 | 2.39 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 2.33 |
| — | — | — | — | — | 2.33 |
Applications
Where Ga8K16P16 is used.
Frequently Asked Questions
Common questions about Ga8K16P16, answered from cross-validated data.
What is Ga8K16P16?
Ga8K16P16 is a thermodynamically stable semiconducting compound containing gallium, potassium, and phosphorus.
What is Ga8K16P16 used for?
What is the band gap of Ga8K16P16?
Is Ga8K16P16 a metal, semiconductor, or insulator?
Is Ga8K16P16 thermodynamically stable?
What is the crystal structure of Ga8K16P16?
What is the density of Ga8K16P16?
How many polymorphs of Ga8K16P16 are known?
What elements does Ga8K16P16 contain?
Where does the data for Ga8K16P16 come from?
How It Compares
As a unique ternary phase, Ga8K16P16 represents a specific structural arrangement within the broader landscape of alkali metal-gallium-phosphorus compounds. Its position on the convex hull distinguishes it as a robust candidate for further experimental characterization compared to metastable phases that may exist in this chemical space.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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