Ag2O12Tl2V4

Ag2O12Tl2V4 is a thermodynamically stable, semiconducting quaternary oxide composed of silver, thallium, vanadium, and oxygen.

AgOTlV
Crystal structure of Ag2O12Tl2V4 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

About Ag2O12Tl2V4

Ag2O12Tl2V4 is a complex quaternary oxide featuring silver, thallium, and vanadium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, making it a subject of interest for fundamental studies in solid-state physics and materials design. The presence of multiple transition metals and heavy elements suggests a rich landscape for exploring unique optoelectronic or catalytic behaviors. Researchers investigate such compounds to understand how complex stoichiometry influences charge transport and lattice stability in multi-component oxide systems.

At a glance

Key Properties

Cross-validated computational properties for Ag2O12Tl2V4, aggregated across 3 databases.

Band Gap

2.15 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Ag2O12Tl2V4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/c (No. 15)monoclinic2.150.0000-7.2045.07
C2/c (No. 15)
4.58
Uses

Applications

Where Ag2O12Tl2V4 is used.

Solid-state researchMaterials science explorationSemiconductor physics studies
Reference

Frequently Asked Questions

Common questions about Ag2O12Tl2V4, answered from cross-validated data.

What is Ag2O12Tl2V4?

Ag2O12Tl2V4 is a thermodynamically stable, semiconducting quaternary oxide composed of silver, thallium, vanadium, and oxygen.

More questions
What is Ag2O12Tl2V4 used for?
Ag2O12Tl2V4 is used in solid-state research, materials science exploration, and semiconductor physics studies.
What is the band gap of Ag2O12Tl2V4?
Ag2O12Tl2V4 has a DFT-computed band gap of 2.15 eV across 3 reported structures.
Is Ag2O12Tl2V4 a metal, semiconductor, or insulator?
With a band gap up to 2.15 eV it is a semiconductor.
Is Ag2O12Tl2V4 thermodynamically stable?
Yes — Ag2O12Tl2V4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ag2O12Tl2V4?
The lowest-energy reported polymorph of Ag2O12Tl2V4 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Ag2O12Tl2V4?
The computed density of the ground-state structure of Ag2O12Tl2V4 is 5.07 g/cm³.
How many polymorphs of Ag2O12Tl2V4 are known?
3 structures of Ag2O12Tl2V4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ag2O12Tl2V4 contain?
Ag2O12Tl2V4 contains Ag, O, Tl, and V (4 elements).
Where does the data for Ag2O12Tl2V4 come from?
Ag2O12Tl2V4 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique quaternary oxide, Ag2O12Tl2V4 stands as a distinct entry in the landscape of complex vanadium-based materials. While many similar oxides are explored for their specific electronic or magnetic properties, this compound is notable for its confirmed thermodynamic stability on the convex hull, which distinguishes it from metastable phases that require specialized synthesis conditions to persist.

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

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