K4P4Si2
K4P4Si2 is a thermodynamically stable, semiconducting ternary compound containing potassium, phosphorus, and silicon.
About K4P4Si2
K4P4Si2 is a complex inorganic compound composed of potassium, phosphorus, and silicon. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental materials science studies.
Characterized by its semiconducting electronic nature, this material offers intriguing potential for electronic and optoelectronic applications. Its existence across multiple structural databases highlights its importance as a well-defined crystalline phase within the broader landscape of ternary pnictide-silicides.
Key Properties
Cross-validated computational properties for K4P4Si2, 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 K4P4Si2, 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. |
|---|---|---|---|---|---|
| Ibam (No. 72) | orthorhombic | 1.21 | 0.0000 | -8.363 | 2.05 |
| — | — | — | — | — | 2.36 |
| Ibam (No. 72) | — | — | — | — | — |
| Ibam (No. 72) | — | — | — | — | — |
Applications
Where K4P4Si2 is used.
Frequently Asked Questions
Common questions about K4P4Si2, answered from cross-validated data.
What is K4P4Si2?
K4P4Si2 is a thermodynamically stable, semiconducting ternary compound containing potassium, phosphorus, and silicon.
What is K4P4Si2 used for?
What is the band gap of K4P4Si2?
Is K4P4Si2 a metal, semiconductor, or insulator?
Is K4P4Si2 thermodynamically stable?
What is the crystal structure of K4P4Si2?
What is the density of K4P4Si2?
How many polymorphs of K4P4Si2 are known?
What elements does K4P4Si2 contain?
Where does the data for K4P4Si2 come from?
How It Compares
As a unique ternary compound, K4P4Si2 serves as a foundational example of how alkali metals, pnictogens, and group fourteen elements can combine to form stable, semiconducting architectures that warrant further investigation for specialized technological integration.
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).
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