Cu4Pr4Se8
Cu4Pr4Se8 is a stable semiconducting compound composed of copper, praseodymium, and selenium.
About Cu4Pr4Se8
Cu4Pr4Se8 is a complex quaternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement of copper, praseodymium, and selenium atoms.
This material is of significant interest in materials science due to its stable structural configuration. Its electronic properties suggest potential utility in specialized semiconductor applications where precise control over charge carrier behavior is required.
Key Properties
Cross-validated computational properties for Cu4Pr4Se8, 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 Cu4Pr4Se8, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.75 | 0.0000 | -18.668 | 6.59 |
| — | — | — | — | — | 6.51 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 6.51 |
Applications
Where Cu4Pr4Se8 is used.
Frequently Asked Questions
Common questions about Cu4Pr4Se8, answered from cross-validated data.
What is Cu4Pr4Se8?
Cu4Pr4Se8 is a stable semiconducting compound composed of copper, praseodymium, and selenium.
What is Cu4Pr4Se8 used for?
What is the band gap of Cu4Pr4Se8?
Is Cu4Pr4Se8 a metal, semiconductor, or insulator?
Is Cu4Pr4Se8 thermodynamically stable?
What is the crystal structure of Cu4Pr4Se8?
What is the density of Cu4Pr4Se8?
How many polymorphs of Cu4Pr4Se8 are known?
What elements does Cu4Pr4Se8 contain?
Where does the data for Cu4Pr4Se8 come from?
How It Compares
As a unique quaternary compound, Cu4Pr4Se8 occupies a distinct niche within the broader landscape of copper-based chalcogenides. Its thermodynamic stability distinguishes it as a reliable candidate for further experimental investigation compared to more metastable or disordered phases within the broader family of rare-earth selenides.
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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