Cs4P4Si2
Cs4P4Si2 is a thermodynamically stable semiconducting compound formed from cesium, phosphorus, and silicon.
About Cs4P4Si2
Cs4P4Si2 is a complex ternary compound composed of cesium, phosphorus, and silicon. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic characteristics, making it a subject of interest for researchers investigating electronic and optoelectronic properties in alkali-metal pnictide-silicides. Its existence across multiple structural databases highlights its significance as a well-defined crystalline phase.
Key Properties
Cross-validated computational properties for Cs4P4Si2, 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 Cs4P4Si2, 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 | 1.27 | 0.0000 | -15.996 | 3.53 |
| Ibam (No. 72) | — | — | — | — | — |
| — | — | — | — | — | 3.08 |
Applications
Where Cs4P4Si2 is used.
Frequently Asked Questions
Common questions about Cs4P4Si2, answered from cross-validated data.
What is Cs4P4Si2?
Cs4P4Si2 is a thermodynamically stable semiconducting compound formed from cesium, phosphorus, and silicon.
What is Cs4P4Si2 used for?
What is the band gap of Cs4P4Si2?
Is Cs4P4Si2 a metal, semiconductor, or insulator?
Is Cs4P4Si2 thermodynamically stable?
What is the crystal structure of Cs4P4Si2?
What is the density of Cs4P4Si2?
How many polymorphs of Cs4P4Si2 are known?
What elements does Cs4P4Si2 contain?
Where does the data for Cs4P4Si2 come from?
How It Compares
As a unique ternary phase within the cesium-phosphorus-silicon system, Cs4P4Si2 serves as a foundational example of how these elements combine to form stable semiconducting architectures. It stands as a distinct material that contributes to the broader understanding of complex pnictide-silicide chemistry.
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).
Analyze Cs4P4Si2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →