Cu6P2S8
Cu6P2S8 is a thermodynamically stable, semiconducting copper phosphorus sulfide compound.
About Cu6P2S8
Cu6P2S8 is a complex ternary sulfide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the copper-phosphorus-sulfur chemical space.
This material is of significant interest for fundamental solid-state studies due to its structural complexity and stability. Its electronic properties make it a candidate for investigation in fields requiring stable, semiconducting inorganic frameworks.
Key Properties
Cross-validated computational properties for Cu6P2S8, 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 Cu6P2S8, 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. |
|---|---|---|---|---|---|
| Pmn21 (No. 31) | orthorhombic | 1.02 | 0.0000 | -9.572 | 4.25 |
| — | — | — | — | — | 2.99 |
| Pmn21 (No. 31) | — | — | — | — | — |
| — | — | — | — | — | 3.91 |
| Pmn21 (No. 31) | — | — | — | — | — |
| Pmn21 (No. 31) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cu6P2S8, answered from cross-validated data.
What is Cu6P2S8?
Cu6P2S8 is a thermodynamically stable, semiconducting copper phosphorus sulfide compound.
What is the band gap of Cu6P2S8?
Is Cu6P2S8 a metal, semiconductor, or insulator?
Is Cu6P2S8 thermodynamically stable?
What is the crystal structure of Cu6P2S8?
What is the density of Cu6P2S8?
How many polymorphs of Cu6P2S8 are known?
What elements does Cu6P2S8 contain?
Where does the data for Cu6P2S8 come from?
How It Compares
As a stable ternary sulfide, Cu6P2S8 occupies a distinct position in materials research, serving as a benchmark for structural stability among complex copper-based chalcogenides.
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).
Analyze Cu6P2S8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →