Ag4Sc4Se8

This compound is a quaternary chalcogenide semiconductor composed of silver, scandium, and selenium. It is primarily studied in materials science research for its structural properties and potential utility in optoelectronic applications.

AgScSe
Crystal structure of Ag4Sc4Se8 (trigonal, P-3m1 (No. 164))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Ag4Sc4Se8, aggregated across 3 databases.

Band Gap

0.68–0.79 eV
Range across DFT structures

Energy Above Hull

0.002 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

6
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ag4Sc4Se8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-3m1 (No. 164)trigonal0.680.0023-16.6195.91
P212121 (No. 19)orthorhombic0.790.0183-16.6035.76
5.41
5.21
5.27
P212121 (No. 19)
Uses

Applications

Where Ag4Sc4Se8 is used.

Semiconductor researchSolid-state chemistry studiesOptoelectronic material development
Reference

Frequently Asked Questions

Common questions about Ag4Sc4Se8, answered from cross-validated data.

What is Ag4Sc4Se8?

This compound is a quaternary chalcogenide semiconductor composed of silver, scandium, and selenium. It is primarily studied in materials science research for its structural properties and potential utility in optoelectronic applications.

More questions
What is Ag4Sc4Se8 used for?
Ag4Sc4Se8 is used in semiconductor research, solid-state chemistry studies, and optoelectronic material development.
What is the band gap of Ag4Sc4Se8?
Ag4Sc4Se8 has a DFT-computed band gap of 0.68–0.79 eV across 6 reported structures.
Is Ag4Sc4Se8 a metal, semiconductor, or insulator?
With a band gap up to 0.79 eV it is a semiconductor.
Is Ag4Sc4Se8 thermodynamically stable?
Ag4Sc4Se8 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of Ag4Sc4Se8?
The lowest-energy reported polymorph of Ag4Sc4Se8 is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of Ag4Sc4Se8?
The computed density of the ground-state structure of Ag4Sc4Se8 is 5.91 g/cm³.
How many polymorphs of Ag4Sc4Se8 are known?
6 structures of Ag4Sc4Se8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ag4Sc4Se8 contain?
Ag4Sc4Se8 contains Ag, Sc, and Se (3 elements).
Where does the data for Ag4Sc4Se8 come from?
Ag4Sc4Se8 data is cross-referenced from materials_project, omat24, aflow.
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).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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