Cs4F12O4V4

Cs4F12O4V4 is a metastable semiconducting compound composed of cesium, fluorine, oxygen, and vanadium used in advanced materials research.

CsFOV
Crystal structure of Cs4F12O4V4 (orthorhombic, Pbam (No. 55))
Ground-state structure · Materials Project
Overview

About Cs4F12O4V4

Cs4F12O4V4 is a complex inorganic compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a specific structural arrangement of cesium, fluorine, oxygen, and vanadium atoms that exists in a delicate energy state compared to more stable configurations.

This material is primarily of interest in fundamental solid-state research where the interplay between transition metals and halide-oxide environments is investigated. Its existence across multiple reported structures highlights its significance in exploring the phase space of complex vanadium-based compounds.

At a glance

Key Properties

Cross-validated computational properties for Cs4F12O4V4, aggregated across 4 databases.

Band Gap

2.71 eV
Range across DFT structures

Energy Above Hull

0.026 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

4
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cs4F12O4V4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pbam (No. 55)orthorhombic2.710.0260-6.4223.85
No. 0unknown1.04
Pbam (No. 55)
2.39
Uses

Applications

Where Cs4F12O4V4 is used.

Solid-state materials researchFundamental electronic property studies
Reference

Frequently Asked Questions

Common questions about Cs4F12O4V4, answered from cross-validated data.

What is Cs4F12O4V4?

Cs4F12O4V4 is a metastable semiconducting compound composed of cesium, fluorine, oxygen, and vanadium used in advanced materials research.

More questions
What is Cs4F12O4V4 used for?
Cs4F12O4V4 is used in solid-state materials research and fundamental electronic property studies.
What is the band gap of Cs4F12O4V4?
Cs4F12O4V4 has a DFT-computed band gap of 2.71 eV across 4 reported structures.
Is Cs4F12O4V4 a metal, semiconductor, or insulator?
With a band gap up to 2.71 eV it is a semiconductor.
Is Cs4F12O4V4 thermodynamically stable?
Cs4F12O4V4 has a lowest energy above hull of 0.026 eV/atom (metastable).
What is the crystal structure of Cs4F12O4V4?
The lowest-energy reported polymorph of Cs4F12O4V4 is orthorhombic symmetry, space group Pbam (No. 55).
What is the density of Cs4F12O4V4?
The computed density of the ground-state structure of Cs4F12O4V4 is 3.85 g/cm³.
How many polymorphs of Cs4F12O4V4 are known?
4 structures of Cs4F12O4V4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Cs4F12O4V4 contain?
Cs4F12O4V4 contains Cs, F, O, and V (4 elements).
Where does the data for Cs4F12O4V4 come from?
Cs4F12O4V4 data is cross-referenced from materials_project, cod, aflow, omat24.
Comparison

How It Compares

As a unique compound within its structural family, Cs4F12O4V4 serves as a critical reference point for understanding how complex anionic frameworks influence the electronic properties of vanadium-based materials in the absence of more common, highly stable counterparts.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • 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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