ZnSeO4
zinc selenate · zinc(II) selenate
Zinc selenate is an inorganic salt composed of zinc and the selenate oxyanion. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other selenium-containing materials.
Overview
Key Properties
Cross-validated computational properties for zinc selenate, 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.
1.82–2.39 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.
19
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for ZnSeO4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.39 | 0.0000 | -5.448 | 4.63 |
| Cmcm (No. 63) | orthorhombic | 1.82 | 0.0017 | -5.446 | 4.75 |
| Pmn21 (No. 31) | orthorhombic | 2.07 | 0.0492 | -5.399 | 4.67 |
| Pnma (No. 62) | orthorhombic | 2.11 | 0.0953 | -5.352 | 4.66 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.91 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.54 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.81 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.68 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.05 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.74 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.38 |
Uses
Applications
Where zinc selenate is used.
chemical synthesislaboratory reagentsmaterials science research
Reference
Frequently Asked Questions
Common questions about zinc selenate, answered from cross-validated data.
What is ZnSeO4?
Zinc selenate is an inorganic salt composed of zinc and the selenate oxyanion. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other selenium-containing materials.
More questions
What is ZnSeO4 used for?
zinc selenate (ZnSeO4) is used in chemical synthesis, laboratory reagents, and materials science research.
What is the band gap of ZnSeO4?
zinc selenate (ZnSeO4) has a DFT-computed band gap of 1.82–2.39 eV across 19 reported structures.
Is ZnSeO4 a metal, semiconductor, or insulator?
With a band gap up to 2.39 eV it is a semiconductor.
Is ZnSeO4 thermodynamically stable?
Yes — zinc selenate (ZnSeO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ZnSeO4?
The lowest-energy reported polymorph of zinc selenate (ZnSeO4) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of ZnSeO4?
The computed density of the ground-state structure of zinc selenate (ZnSeO4) is 4.63 g/cm³.
How many polymorphs of ZnSeO4 are known?
19 structures of ZnSeO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does ZnSeO4 contain?
zinc selenate (ZnSeO4) contains O, Se, and Zn (3 elements).
Where does the data for ZnSeO4 come from?
ZnSeO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Spinel Oxide Catalysts 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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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