MgSeO4
Magnesium selenate · Magnesium selenate anhydrous
Magnesium selenate is an inorganic salt composed of magnesium and the selenate oxyanion. It is primarily utilized in chemical research and as a source of selenium in specialized industrial or agricultural applications.
MgOSe
Overview
Key Properties
Cross-validated computational properties for Magnesium 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.
2.87–3.13 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.
11
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgSeO4, 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 | 2.87 | 0.0000 | -6.024 | 3.84 |
| Pnma (No. 62) | orthorhombic | 3.13 | 0.0018 | -6.022 | 3.73 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.62 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.90 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.72 |
| Pnma (No. 62) | — | — | — | — | — |
| I-4 (No. 82) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.53 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.79 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.62 |
Uses
Applications
Where Magnesium selenate is used.
Chemical synthesisLaboratory reagentSelenium supplementation
Reference
Frequently Asked Questions
Common questions about Magnesium selenate, answered from cross-validated data.
What is MgSeO4?
Magnesium selenate is an inorganic salt composed of magnesium and the selenate oxyanion. It is primarily utilized in chemical research and as a source of selenium in specialized industrial or agricultural applications.
More questions
What is MgSeO4 used for?
Magnesium selenate (MgSeO4) is used in chemical synthesis, laboratory reagent, and selenium supplementation.
What is the band gap of MgSeO4?
Magnesium selenate (MgSeO4) has a DFT-computed band gap of 2.87–3.13 eV across 11 reported structures.
Is MgSeO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.13 eV it is an insulator / wide-band-gap material.
Is MgSeO4 thermodynamically stable?
Yes — Magnesium selenate (MgSeO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MgSeO4?
The lowest-energy reported polymorph of Magnesium selenate (MgSeO4) is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of MgSeO4?
The computed density of the ground-state structure of Magnesium selenate (MgSeO4) is 3.84 g/cm³.
How many polymorphs of MgSeO4 are known?
11 structures of MgSeO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does MgSeO4 contain?
Magnesium selenate (MgSeO4) contains Mg, O, and Se (3 elements).
Where does the data for MgSeO4 come from?
MgSeO4 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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