Cu2Na4P2
Cu2Na4P2 is a thermodynamically stable semiconducting compound composed of copper, sodium, and phosphorus.
About Cu2Na4P2
Cu2Na4P2 is a distinct phosphide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.
This material is of significant interest to researchers investigating novel semiconductors. Its structural stability and electronic properties suggest potential utility in specialized electronic or optoelectronic applications where stable, compositionally unique phosphides are required.
Key Properties
Cross-validated computational properties for Cu2Na4P2, 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 Cu2Na4P2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.66 | 0.0000 | -7.208 | 3.02 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 1.83 |
Applications
Where Cu2Na4P2 is used.
Frequently Asked Questions
Common questions about Cu2Na4P2, answered from cross-validated data.
What is Cu2Na4P2?
Cu2Na4P2 is a thermodynamically stable semiconducting compound composed of copper, sodium, and phosphorus.
What is Cu2Na4P2 used for?
What is the band gap of Cu2Na4P2?
Is Cu2Na4P2 a metal, semiconductor, or insulator?
Is Cu2Na4P2 thermodynamically stable?
What is the crystal structure of Cu2Na4P2?
What is the density of Cu2Na4P2?
How many polymorphs of Cu2Na4P2 are known?
What elements does Cu2Na4P2 contain?
Where does the data for Cu2Na4P2 come from?
How It Compares
As a unique phosphide phase, Cu2Na4P2 serves as a foundational example of stable ternary copper-sodium-phosphorus compounds. It provides a critical reference point for understanding the structural diversity and electronic behavior of materials within this specific chemical family.
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).
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