ZnAs
Zinc monoarsenide
Zinc monoarsenide is a binary semiconductor material composed of zinc and arsenic. It is primarily studied for its potential utility in specialized electronic and optoelectronic devices.
AsZn
Overview
Key Properties
Cross-validated computational properties for ZnAs, aggregated across 4 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.
0.30 eV
Range across DFT structures
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.
0.019 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
37
4 databases, 10 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for ZnAs, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.30 | 0.0192 | -3.091 | 5.98 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.11 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.72 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 5.77 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 6.07 |
| Pbca (No. 61) | Orthorhombic | — | — | — | 5.99 |
| R3m (No. 160) | Trigonal | — | — | — | 5.06 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.46 |
| Pbca (No. 61) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 7.27 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.45 |
Uses
Applications
Where ZnAs is used.
Semiconductor researchOptoelectronic device developmentMaterials science studies
Reference
Frequently Asked Questions
Common questions about ZnAs, answered from cross-validated data.
What is ZnAs?
Zinc monoarsenide is a binary semiconductor material composed of zinc and arsenic. It is primarily studied for its potential utility in specialized electronic and optoelectronic devices.
More questions
What is ZnAs used for?
ZnAs is used in semiconductor research, optoelectronic device development, and materials science studies.
What is the band gap of ZnAs?
ZnAs has a DFT-computed band gap of 0.30 eV across 37 reported structures.
Is ZnAs a metal, semiconductor, or insulator?
With a band gap up to 0.30 eV it is a semiconductor.
Is ZnAs thermodynamically stable?
ZnAs has a lowest energy above hull of 0.019 eV/atom (near hull (likely stable)).
What is the crystal structure of ZnAs?
The lowest-energy reported polymorph of ZnAs is orthorhombic symmetry, space group Pbca (No. 61).
What is the density of ZnAs?
The computed density of the ground-state structure of ZnAs is 5.98 g/cm³.
How many polymorphs of ZnAs are known?
37 structures of ZnAs are reported across 4 databases, spanning 10 distinct space groups.
What elements does ZnAs contain?
ZnAs contains As and Zn (2 elements).
Where does the data for ZnAs come from?
ZnAs data is cross-referenced from materials_project, mpaloe, jarvis.
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).
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