Cu8P16Si2
Cu8P16Si2 is a stable, semiconducting ternary compound consisting of copper, phosphorus, and silicon.
About Cu8P16Si2
Cu8P16Si2 is a complex ternary compound composed of copper, 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. Its electronic character as a semiconductor makes it an intriguing subject for research into specialized solid-state materials. The existence of multiple reported structures across various databases underscores its significance as a material of interest in inorganic chemistry. It serves as a foundational example of how transition metal phosphides can be modified by silicon to tune electronic properties for potential technological integration.
Key Properties
Cross-validated computational properties for Cu8P16Si2, 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 Cu8P16Si2, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 1.21 | 0.0000 | -9.724 | 4.18 |
| — | — | — | — | — | 4.09 |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
Applications
Where Cu8P16Si2 is used.
Frequently Asked Questions
Common questions about Cu8P16Si2, answered from cross-validated data.
What is Cu8P16Si2?
Cu8P16Si2 is a stable, semiconducting ternary compound consisting of copper, phosphorus, and silicon.
What is Cu8P16Si2 used for?
What is the band gap of Cu8P16Si2?
Is Cu8P16Si2 a metal, semiconductor, or insulator?
Is Cu8P16Si2 thermodynamically stable?
What is the crystal structure of Cu8P16Si2?
What is the density of Cu8P16Si2?
How many polymorphs of Cu8P16Si2 are known?
What elements does Cu8P16Si2 contain?
Where does the data for Cu8P16Si2 come from?
How It Compares
As a unique ternary phase, Cu8P16Si2 occupies a distinct position in the landscape of copper-phosphorus-silicon materials, where its thermodynamic stability distinguishes it as a reliable candidate for further experimental investigation into its semiconducting behavior.
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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