ZnSe2
Zinc diselenide is a semiconductor material composed of zinc and selenium. It is primarily studied for its potential utility in optoelectronic devices and thin-film solar cell technologies.
Overview
Key Properties
Cross-validated computational properties for ZnSe2, 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.
0.73 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
69
3 databases, 20 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for ZnSe2, 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. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 0.73 | 0.0000 | -3.395 | 5.73 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.92 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.14 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 4.53 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 4.63 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 4.66 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.91 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.22 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.14 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.70 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.59 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.48 |
Uses
Applications
Where ZnSe2 is used.
Semiconductor researchOptoelectronicsPhotovoltaic development
Reference
Frequently Asked Questions
Common questions about ZnSe2, answered from cross-validated data.
What is ZnSe2?
Zinc diselenide is a semiconductor material composed of zinc and selenium. It is primarily studied for its potential utility in optoelectronic devices and thin-film solar cell technologies.
More questions
What is ZnSe2 used for?
ZnSe2 is used in semiconductor research, optoelectronics, and photovoltaic development.
What is the band gap of ZnSe2?
ZnSe2 has a DFT-computed band gap of 0.73 eV across 69 reported structures.
Is ZnSe2 a metal, semiconductor, or insulator?
With a band gap up to 0.73 eV it is a semiconductor.
Is ZnSe2 thermodynamically stable?
Yes — ZnSe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ZnSe2?
The lowest-energy reported polymorph of ZnSe2 is cubic symmetry, space group Pa-3 (No. 205).
What is the density of ZnSe2?
The computed density of the ground-state structure of ZnSe2 is 5.73 g/cm³.
How many polymorphs of ZnSe2 are known?
69 structures of ZnSe2 are reported across 3 databases, spanning 20 distinct space groups.
What elements does ZnSe2 contain?
ZnSe2 contains Se and Zn (2 elements).
Where does the data for ZnSe2 come from?
ZnSe2 data is cross-referenced from materials_project, mpaloe.
Explore
Related Compounds
Other II-VI Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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