Zn3As2
zinc arsenide · trizinc diarsenide
Zn3As2 is a thermodynamically stable semiconducting compound primarily used in the development of advanced electronic and optoelectronic devices.
About zinc arsenide
Zn3As2 is a semiconducting compound composed of zinc and arsenic. It is recognized for its thermodynamic stability, sitting directly on the convex hull, which makes it a robust candidate for materials science research and device development. The compound exhibits significant structural diversity, with numerous reported configurations across major databases. This structural flexibility underscores its importance as a versatile platform for exploring electronic phenomena in binary pnictides. Its semiconducting nature allows for precise tuning of charge carrier properties, which is essential for developing high-performance electronic components. As a stable material, it offers a reliable foundation for thin-film deposition and integration into complex heterostructures.
Key Properties
Cross-validated computational properties for zinc arsenide, 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 Zn3As2, 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. |
|---|---|---|---|---|---|
| P42/nbc (No. 133) | tetragonal | 0.25 | 0.0000 | -2.768 | 5.42 |
| I41/acd (No. 142) | tetragonal | 0.18 | 0.0014 | -2.766 | 5.42 |
| I41cd (No. 110) | tetragonal | 0.15 | 0.0022 | -2.765 | 5.39 |
| P42/nmc (No. 137) | tetragonal | 0.00 | 0.0040 | -2.764 | 5.65 |
| Ia-3 (No. 206) | cubic | 0.14 | 0.0242 | -2.743 | 5.65 |
| I41/acd (No. 142) | tetragonal | 0.00 | 0.0680 | -2.700 | 5.41 |
| Pn-3m (No. 224) | cubic | 0.00 | 0.1592 | -2.608 | 5.44 |
| Pn-3m (No. 224) | Cubic | — | — | — | 5.71 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.26 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 6.16 |
| P4mm (No. 99) | Tetragonal | — | — | — | 6.06 |
| P2/m (No. 10) | Monoclinic | — | — | — | 8.81 |
Applications
Where zinc arsenide is used.
Frequently Asked Questions
Common questions about zinc arsenide, answered from cross-validated data.
What is Zn3As2?
Zn3As2 is a thermodynamically stable semiconducting compound primarily used in the development of advanced electronic and optoelectronic devices.
What is Zn3As2 used for?
What is the band gap of Zn3As2?
Is Zn3As2 a metal, semiconductor, or insulator?
Is Zn3As2 thermodynamically stable?
What is the crystal structure of Zn3As2?
What is the density of Zn3As2?
How many polymorphs of Zn3As2 are known?
What elements does Zn3As2 contain?
Where does the data for Zn3As2 come from?
How It Compares
As a standalone binary pnictide, Zn3As2 serves as a foundational material for studying the interaction between group twelve metals and group fifteen elements. Its position on the convex hull distinguishes it as a highly stable representative of this chemical family, providing a benchmark for the synthesis and characterization of related semiconducting arsenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze Zn3As2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →