Cl20Mo4S8Se4

Cl20Mo4S8Se4 is a stable, semiconducting inorganic compound composed of molybdenum, sulfur, selenium, and chlorine.

ClMoSSe
Crystal structure of Cl20Mo4S8Se4 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

About Cl20Mo4S8Se4

Cl20Mo4S8Se4 is a complex inorganic compound that integrates molybdenum with a mix of chalcogen and halogen anions. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a significant subject for structural characterization and materials research.

As a semiconducting material, this compound is of interest for its unique electronic configuration. The presence of multiple anionic species suggests a complex coordination environment that may offer tunable properties for specialized electronic or optoelectronic applications.

At a glance

Key Properties

Cross-validated computational properties for Cl20Mo4S8Se4, aggregated across 3 databases.

Band Gap

2.02 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cl20Mo4S8Se4, 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)monoclinic2.020.0000-4.5742.50
P-1 (No. 2)
C2/c (No. 15)
2.37
Reference

Frequently Asked Questions

Common questions about Cl20Mo4S8Se4, answered from cross-validated data.

What is Cl20Mo4S8Se4?

Cl20Mo4S8Se4 is a stable, semiconducting inorganic compound composed of molybdenum, sulfur, selenium, and chlorine.

More questions
What is the band gap of Cl20Mo4S8Se4?
Cl20Mo4S8Se4 has a DFT-computed band gap of 2.02 eV across 4 reported structures.
Is Cl20Mo4S8Se4 a metal, semiconductor, or insulator?
With a band gap up to 2.02 eV it is a semiconductor.
Is Cl20Mo4S8Se4 thermodynamically stable?
Yes — Cl20Mo4S8Se4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl20Mo4S8Se4?
The lowest-energy reported polymorph of Cl20Mo4S8Se4 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Cl20Mo4S8Se4?
The computed density of the ground-state structure of Cl20Mo4S8Se4 is 2.50 g/cm³.
How many polymorphs of Cl20Mo4S8Se4 are known?
4 structures of Cl20Mo4S8Se4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cl20Mo4S8Se4 contain?
Cl20Mo4S8Se4 contains Cl, Mo, S, and Se (4 elements).
Where does the data for Cl20Mo4S8Se4 come from?
Cl20Mo4S8Se4 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique inorganic phase, Cl20Mo4S8Se4 represents a distinct structural arrangement within the broader landscape of molybdenum-based chalcogenide-halides, serving as a reference point for understanding how mixed-anion chemistry influences electronic behavior.

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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