MgTe3WO12

MgTe3WO12 is a metastable semiconducting complex oxide containing magnesium, tellurium, and tungsten.

MgOTeW
Crystal structure of MgTe3WO12 (monoclinic, P2 (No. 3))
Ground-state structure · Materials Project
Overview

About MgTe3WO12

MgTe3WO12 is a complex oxide featuring magnesium, tellurium, and tungsten. As a semiconducting material, it exhibits electronic properties that distinguish it from simple binary oxides, making it a subject of interest for fundamental solid-state chemistry studies.

While this compound is classified as metastable, its existence within a diverse structural landscape highlights the complexity of multi-component oxide systems. Its unique elemental combination provides a platform for investigating how structural arrangements influence semiconducting behavior in non-equilibrium phases.

At a glance

Key Properties

Cross-validated computational properties for MgTe3WO12, aggregated across 2 databases.

Band Gap

0.06–1.88 eV
Range across DFT structures

Energy Above Hull

0.076 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

32
2 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for MgTe3WO12, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P2 (No. 3)monoclinic1.880.0758-6.6555.37
P2 (No. 3)monoclinic1.270.0838-6.6475.42
P2 (No. 3)monoclinic1.240.1031-6.6285.57
P2 (No. 3)monoclinic1.220.1045-6.6265.57
P1 (No. 1)triclinic0.780.1086-6.6225.85
P1 (No. 1)triclinic0.780.1130-6.6185.84
P1 (No. 1)triclinic0.060.1261-6.6055.82
P1 (No. 1)triclinic0.230.1332-6.5985.83
P2 (No. 3)Monoclinic5.56
P1 (No. 1)Triclinic5.82
P2 (No. 3)Monoclinic5.76
P1 (No. 1)Triclinic5.85
Uses

Applications

Where MgTe3WO12 is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about MgTe3WO12, answered from cross-validated data.

What is MgTe3WO12?

MgTe3WO12 is a metastable semiconducting complex oxide containing magnesium, tellurium, and tungsten.

More questions
What is MgTe3WO12 used for?
MgTe3WO12 is used in materials science research and solid-state chemistry studies.
What is the band gap of MgTe3WO12?
MgTe3WO12 has a DFT-computed band gap of 0.06–1.88 eV across 32 reported structures.
Is MgTe3WO12 a metal, semiconductor, or insulator?
With a band gap up to 1.88 eV it is a semiconductor.
Is MgTe3WO12 thermodynamically stable?
MgTe3WO12 has a lowest energy above hull of 0.076 eV/atom (metastable).
What is the crystal structure of MgTe3WO12?
The lowest-energy reported polymorph of MgTe3WO12 is monoclinic symmetry, space group P2 (No. 3).
What is the density of MgTe3WO12?
The computed density of the ground-state structure of MgTe3WO12 is 5.37 g/cm³.
How many polymorphs of MgTe3WO12 are known?
32 structures of MgTe3WO12 are reported across 2 databases, spanning 2 distinct space groups.
What elements does MgTe3WO12 contain?
MgTe3WO12 contains Mg, O, Te, and W (4 elements).
Where does the data for MgTe3WO12 come from?
MgTe3WO12 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

As a unique complex oxide, MgTe3WO12 serves as an illustrative example of the structural diversity possible within multi-component tellurite-tungstate systems, representing a distinct phase that contributes to the broader understanding of metastable inorganic compounds.

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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