MgSeO3

magnesium selenite

Magnesium selenite is a stable, insulating magnesium-based selenium oxide used in fundamental materials research.

MgOSe
Crystal structure of MgSeO3 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About magnesium selenite

Magnesium selenite is a stable inorganic compound composed of magnesium, selenium, and oxygen. As a wide-gap insulator, it exhibits distinct electronic characteristics that make it a subject of interest for fundamental solid-state research and structural characterization studies.

Its position on the convex hull confirms its thermodynamic stability, indicating a robust atomic arrangement. With multiple reported structures across research databases, this compound serves as a key reference point for understanding the bonding and coordination environments within metal selenite systems.

At a glance

Key Properties

Cross-validated computational properties for magnesium selenite, aggregated across 3 databases.

Band Gap

4.00 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for MgSeO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic4.000.0000-6.0194.43
Pnma (No. 62)
Pnma (No. 62)Orthorhombic4.53
Pnma (No. 62)Orthorhombic4.25
Pnma (No. 62)Orthorhombic4.35
Uses

Applications

Where magnesium selenite is used.

Solid-state researchMaterials science characterizationCrystal structure studies
Reference

Frequently Asked Questions

Common questions about magnesium selenite, answered from cross-validated data.

What is MgSeO3?

Magnesium selenite is a stable, insulating magnesium-based selenium oxide used in fundamental materials research.

More questions
What is MgSeO3 used for?
magnesium selenite (MgSeO3) is used in solid-state research, materials science characterization, and crystal structure studies.
What is the band gap of MgSeO3?
magnesium selenite (MgSeO3) has a DFT-computed band gap of 4.00 eV across 5 reported structures.
Is MgSeO3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.00 eV it is an insulator / wide-band-gap material.
Is MgSeO3 thermodynamically stable?
Yes — magnesium selenite (MgSeO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MgSeO3?
The lowest-energy reported polymorph of magnesium selenite (MgSeO3) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of MgSeO3?
The computed density of the ground-state structure of magnesium selenite (MgSeO3) is 4.43 g/cm³.
How many polymorphs of MgSeO3 are known?
5 structures of MgSeO3 are reported across 3 databases, spanning 1 distinct space group.
What elements does MgSeO3 contain?
magnesium selenite (MgSeO3) contains Mg, O, and Se (3 elements).
Where does the data for MgSeO3 come from?
MgSeO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a distinct member of the metal selenite family, magnesium selenite serves as a foundational example of a stable, insulating ternary oxide. It provides a baseline for comparing the structural and electronic behaviors of alkaline earth metal selenites, helping to define the broader trends in stability and coordination geometry within this class of materials.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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