As2Cu2Na4
As2Cu2Na4 is a thermodynamically stable semiconducting compound containing arsenic, copper, and sodium.
About As2Cu2Na4
As2Cu2Na4 is a semiconducting material composed of arsenic, copper, and sodium. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system, making it a subject of interest for structural characterization.
The compound is recognized for its structural diversity, with multiple reported configurations across various databases. Its electronic character suggests potential utility in specialized electronic or optoelectronic applications where specific semiconducting properties are required.
Key Properties
Cross-validated computational properties for As2Cu2Na4, 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 As2Cu2Na4, 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 | 0.65 | 0.0000 | -8.640 | 3.72 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where As2Cu2Na4 is used.
Frequently Asked Questions
Common questions about As2Cu2Na4, answered from cross-validated data.
What is As2Cu2Na4?
As2Cu2Na4 is a thermodynamically stable semiconducting compound containing arsenic, copper, and sodium.
What is As2Cu2Na4 used for?
What is the band gap of As2Cu2Na4?
Is As2Cu2Na4 a metal, semiconductor, or insulator?
Is As2Cu2Na4 thermodynamically stable?
What is the crystal structure of As2Cu2Na4?
What is the density of As2Cu2Na4?
How many polymorphs of As2Cu2Na4 are known?
What elements does As2Cu2Na4 contain?
Where does the data for As2Cu2Na4 come from?
How It Compares
As a distinct ternary compound, As2Cu2Na4 occupies a unique position in its chemical space. While it lacks direct siblings in this classification, its thermodynamic stability distinguishes it as a reliable candidate for further experimental investigation compared to less stable, metastable phases.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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