Mn4Nb4O18Zn4

Mn4Nb4O18Zn4 is a metastable, semiconducting quaternary oxide composed of manganese, niobium, zinc, and oxygen.

MnNbOZn
Crystal structure of Mn4Nb4O18Zn4 (trigonal, P-3c1 (No. 165))
Ground-state structure · Materials Project
Overview

About Mn4Nb4O18Zn4

Mn4Nb4O18Zn4 is a complex oxide featuring a unique combination of manganese, niobium, oxygen, and zinc. As a semiconducting material, it exhibits electronic properties that are of significant interest for fundamental materials science investigations. Its metastable nature suggests a complex synthesis landscape that requires precise control to stabilize its specific atomic arrangement. The compound is currently a subject of academic study, with multiple structural variations identified across materials databases, highlighting its structural flexibility and the ongoing efforts to map its potential utility. Researchers examine this compound to understand how transition metal and post-transition metal ions interact within an oxide framework to influence charge transport and structural stability.

At a glance

Key Properties

Cross-validated computational properties for Mn4Nb4O18Zn4, aggregated across 3 databases.

Band Gap

1.75 eV
Range across DFT structures

Energy Above Hull

0.034 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Mn4Nb4O18Zn4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-3c1 (No. 165)trigonal1.750.0340-8.1455.29
P3c1 (No. 158)trigonal0.000.6256-7.5535.30
5.29
5.29
P3c1 (No. 158)
Uses

Applications

Where Mn4Nb4O18Zn4 is used.

Fundamental materials researchSolid-state chemistry studiesSemiconductor development
Reference

Frequently Asked Questions

Common questions about Mn4Nb4O18Zn4, answered from cross-validated data.

What is Mn4Nb4O18Zn4?

Mn4Nb4O18Zn4 is a metastable, semiconducting quaternary oxide composed of manganese, niobium, zinc, and oxygen.

More questions
What is Mn4Nb4O18Zn4 used for?
Mn4Nb4O18Zn4 is used in fundamental materials research, solid-state chemistry studies, and semiconductor development.
What is the band gap of Mn4Nb4O18Zn4?
Mn4Nb4O18Zn4 has a DFT-computed band gap of 1.75 eV across 5 reported structures.
Is Mn4Nb4O18Zn4 a metal, semiconductor, or insulator?
With a band gap up to 1.75 eV it is a semiconductor.
Is Mn4Nb4O18Zn4 thermodynamically stable?
Mn4Nb4O18Zn4 has a lowest energy above hull of 0.034 eV/atom (metastable).
What is the crystal structure of Mn4Nb4O18Zn4?
The lowest-energy reported polymorph of Mn4Nb4O18Zn4 is trigonal symmetry, space group P-3c1 (No. 165).
What is the density of Mn4Nb4O18Zn4?
The computed density of the ground-state structure of Mn4Nb4O18Zn4 is 5.29 g/cm³.
How many polymorphs of Mn4Nb4O18Zn4 are known?
5 structures of Mn4Nb4O18Zn4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Mn4Nb4O18Zn4 contain?
Mn4Nb4O18Zn4 contains Mn, Nb, O, and Zn (4 elements).
Where does the data for Mn4Nb4O18Zn4 come from?
Mn4Nb4O18Zn4 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

As a unique quaternary oxide, Mn4Nb4O18Zn4 occupies a distinct niche in materials research. Without direct structural analogs in its immediate class, it serves as a critical reference point for understanding how the integration of zinc and manganese into a niobium-oxygen framework influences metastable phase formation and semiconducting behavior.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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