MgVCrO4

MgVCrO4 is a stable semiconducting quaternary oxide composed of magnesium, vanadium, chromium, and oxygen.

CrMgOV
Crystal structure of MgVCrO4 (orthorhombic, Imma (No. 74))
Ground-state structure · Materials Project
Overview

About MgVCrO4

MgVCrO4 is a complex oxide composed of magnesium, vanadium, chromium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.

This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for electronic and optoelectronic applications. Its presence across multiple structural databases highlights its significance as a subject of ongoing investigation in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for MgVCrO4, aggregated across 3 databases.

Band Gap

1.86 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, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for MgVCrO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Imma (No. 74)orthorhombic1.860.0000-8.4104.10
Imm2 (No. 44)
Imma (No. 74)Orthorhombic4.48
Imma (No. 74)Orthorhombic4.10
Imma (No. 74)Orthorhombic4.28
Uses

Applications

Where MgVCrO4 is used.

Solid-state electronics researchAdvanced materials developmentCatalysis studies
Reference

Frequently Asked Questions

Common questions about MgVCrO4, answered from cross-validated data.

What is MgVCrO4?

MgVCrO4 is a stable semiconducting quaternary oxide composed of magnesium, vanadium, chromium, and oxygen.

More questions
What is MgVCrO4 used for?
MgVCrO4 is used in solid-state electronics research, advanced materials development, and catalysis studies.
What is the band gap of MgVCrO4?
MgVCrO4 has a DFT-computed band gap of 1.86 eV across 5 reported structures.
Is MgVCrO4 a metal, semiconductor, or insulator?
With a band gap up to 1.86 eV it is a semiconductor.
Is MgVCrO4 thermodynamically stable?
Yes — MgVCrO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MgVCrO4?
The lowest-energy reported polymorph of MgVCrO4 is orthorhombic symmetry, space group Imma (No. 74).
What is the density of MgVCrO4?
The computed density of the ground-state structure of MgVCrO4 is 4.10 g/cm³.
How many polymorphs of MgVCrO4 are known?
5 structures of MgVCrO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does MgVCrO4 contain?
MgVCrO4 contains Cr, Mg, O, and V (4 elements).
Where does the data for MgVCrO4 come from?
MgVCrO4 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a unique quaternary oxide, MgVCrO4 serves as a distinct entry in the field of mixed-metal oxides. It occupies a specialized niche where the interplay between vanadium and chromium cations within the magnesium-oxygen framework dictates its specific semiconducting behavior and stability profile.

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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