K3Se4V

This compound is a ternary chalcogenide containing potassium, selenium, and vanadium. It is primarily utilized in solid-state chemistry research to investigate the structural and electronic properties of low-dimensional transition metal compounds.

KSeV
Crystal structure of K3Se4V (tetragonal, I-42m (No. 121))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for K3Se4V, aggregated across 3 databases.

Band Gap

1.01 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 K3Se4V, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I-42m (No. 121)tetragonal1.010.0000-4.4882.52
2.47
Uses

Applications

Where K3Se4V is used.

Solid-state chemistry researchMaterials science studiesElectronic property characterization
Reference

Frequently Asked Questions

Common questions about K3Se4V, answered from cross-validated data.

What is K3Se4V?

This compound is a ternary chalcogenide containing potassium, selenium, and vanadium. It is primarily utilized in solid-state chemistry research to investigate the structural and electronic properties of low-dimensional transition metal compounds.

More questions
What is K3Se4V used for?
K3Se4V is used in solid-state chemistry research, materials science studies, and electronic property characterization.
What is the band gap of K3Se4V?
K3Se4V has a DFT-computed band gap of 1.01 eV across 3 reported structures.
Is K3Se4V a metal, semiconductor, or insulator?
With a band gap up to 1.01 eV it is a semiconductor.
Is K3Se4V thermodynamically stable?
Yes — K3Se4V sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K3Se4V?
The lowest-energy reported polymorph of K3Se4V is tetragonal symmetry, space group I-42m (No. 121).
What is the density of K3Se4V?
The computed density of the ground-state structure of K3Se4V is 2.52 g/cm³.
How many polymorphs of K3Se4V are known?
3 structures of K3Se4V are reported across 3 databases, spanning 1 distinct space group.
What elements does K3Se4V contain?
K3Se4V contains K, Se, and V (3 elements).
Where does the data for K3Se4V come from?
K3Se4V data is cross-referenced from materials_project, omat24, alexandria.
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).
  • alexandria — Data from alexandria.

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