Cu28P4S24
Cu28P4S24 is a metastable semiconducting copper phosphorus sulfide used in materials research.
About Cu28P4S24
Cu28P4S24 is a complex copper-phosphorus sulfide that exhibits semiconducting electronic behavior. As a metastable material, it represents a unique structural arrangement within the broader landscape of metal chalcogenides, offering researchers a distinct platform to investigate charge transport and coordination chemistry in multi-element sulfur-based systems.
Its significance lies in the intricate interplay between the copper-sulfur framework and the phosphorus centers, which influences its electronic state. While it remains a specialized subject of study, its existence across multiple structural databases highlights its role as a target for synthesis and characterization in materials science research.
Key Properties
Cross-validated computational properties for Cu28P4S24, 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 Cu28P4S24, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 0.88 | 0.0408 | -9.767 | 4.96 |
| — | — | — | — | — | 4.01 |
| P213 (No. 198) | — | — | — | — | — |
Applications
Where Cu28P4S24 is used.
Frequently Asked Questions
Common questions about Cu28P4S24, answered from cross-validated data.
What is Cu28P4S24?
Cu28P4S24 is a metastable semiconducting copper phosphorus sulfide used in materials research.
What is Cu28P4S24 used for?
What is the band gap of Cu28P4S24?
Is Cu28P4S24 a metal, semiconductor, or insulator?
Is Cu28P4S24 thermodynamically stable?
What is the crystal structure of Cu28P4S24?
What is the density of Cu28P4S24?
How many polymorphs of Cu28P4S24 are known?
What elements does Cu28P4S24 contain?
Where does the data for Cu28P4S24 come from?
How It Compares
As a specialized copper-phosphorus sulfide, this compound occupies a niche position in materials science where its metastable nature distinguishes it from more common, highly stable binary sulfides. Its complex stoichiometry allows for unique structural motifs that are not typically found in simpler metal-sulfur compounds, marking it as a distinct subject for those exploring non-equilibrium phases in solid-state chemistry.
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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