VAgO3

VAgO3 is a stable, semiconducting ternary oxide of silver and vanadium.

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Crystal structure of VAgO3 (monoclinic, Cm (No. 8))
Ground-state structure · Materials Project
Overview

About VAgO3

VAgO3 is a ternary oxide composed of silver, vanadium, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, making it a significant subject for structural and electronic investigation.

Exhibiting semiconducting behavior, this material is of interest for applications where tunable electronic properties are required. Its existence across multiple reported structures highlights its versatility and the potential for diverse coordination environments within the crystal lattice.

At a glance

Key Properties

Cross-validated computational properties for VAgO3, aggregated across 3 databases.

Band Gap

1.63–1.95 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

15
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for VAgO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cm (No. 8)monoclinic1.630.0000-7.1095.52
C2/c (No. 15)monoclinic1.950.0117-7.0974.78
C2/c (No. 15)monoclinic1.920.0231-7.0864.68
P-1 (No. 2)triclinic1.720.0781-7.0314.51
Cm (No. 8)
Cm (No. 8)
C2/c (No. 15)Monoclinic4.81
C2/c (No. 15)Monoclinic5.12
Cm (No. 8)Monoclinic5.19
Cm (No. 8)Monoclinic5.35
C2/c (No. 15)Monoclinic4.68
Cm (No. 8)Monoclinic5.69
Uses

Applications

Where VAgO3 is used.

semiconductor researchmaterials science explorationelectronic component development
Reference

Frequently Asked Questions

Common questions about VAgO3, answered from cross-validated data.

What is VAgO3?

VAgO3 is a stable, semiconducting ternary oxide of silver and vanadium.

More questions
What is VAgO3 used for?
VAgO3 is used in semiconductor research, materials science exploration, and electronic component development.
What is the band gap of VAgO3?
VAgO3 has a DFT-computed band gap of 1.63–1.95 eV across 15 reported structures.
Is VAgO3 a metal, semiconductor, or insulator?
With a band gap up to 1.95 eV it is a semiconductor.
Is VAgO3 thermodynamically stable?
Yes — VAgO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of VAgO3?
The lowest-energy reported polymorph of VAgO3 is monoclinic symmetry, space group Cm (No. 8).
What is the density of VAgO3?
The computed density of the ground-state structure of VAgO3 is 5.52 g/cm³.
How many polymorphs of VAgO3 are known?
15 structures of VAgO3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does VAgO3 contain?
VAgO3 contains Ag, O, and V (3 elements).
Where does the data for VAgO3 come from?
VAgO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a stable ternary oxide, VAgO3 serves as a foundational example of silver-vanadium chemistry. It stands as a reliable reference point for researchers exploring the complex phase space of metal-vanadium-oxygen systems, offering a stable baseline for comparing the electronic and structural characteristics of more transient or metastable phases within this chemical family.

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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