As8In4K8Li4

As8In4K8Li4 is a stable, semiconducting quaternary compound containing arsenic, indium, potassium, and lithium.

AsInKLi
Crystal structure of As8In4K8Li4 (orthorhombic, Cmce (No. 64))
Ground-state structure · Materials Project
Overview

About As8In4K8Li4

As8In4K8Li4 is a complex quaternary compound composed of arsenic, indium, potassium, and lithium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that is well-defined within current materials databases. Its electronic character identifies it as a semiconductor, making it a subject of interest for fundamental studies in solid-state chemistry. The compound is characterized by its specific stoichiometric balance and stable bonding environment, which distinguishes it from more volatile or metastable phases. While its practical utility is still being explored, its stability suggests potential for integration into specialized electronic or optoelectronic material systems where precise band structure control is required.

At a glance

Key Properties

Cross-validated computational properties for As8In4K8Li4, aggregated across 3 databases.

Band Gap

1.18 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 As8In4K8Li4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cmce (No. 64)orthorhombic1.180.0000-3.2633.50
Cmce (No. 64)
3.52
Reference

Frequently Asked Questions

Common questions about As8In4K8Li4, answered from cross-validated data.

What is As8In4K8Li4?

As8In4K8Li4 is a stable, semiconducting quaternary compound containing arsenic, indium, potassium, and lithium.

More questions
What is the band gap of As8In4K8Li4?
As8In4K8Li4 has a DFT-computed band gap of 1.18 eV across 3 reported structures.
Is As8In4K8Li4 a metal, semiconductor, or insulator?
With a band gap up to 1.18 eV it is a semiconductor.
Is As8In4K8Li4 thermodynamically stable?
Yes — As8In4K8Li4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of As8In4K8Li4?
The lowest-energy reported polymorph of As8In4K8Li4 is orthorhombic symmetry, space group Cmce (No. 64).
What is the density of As8In4K8Li4?
The computed density of the ground-state structure of As8In4K8Li4 is 3.50 g/cm³.
How many polymorphs of As8In4K8Li4 are known?
3 structures of As8In4K8Li4 are reported across 3 databases, spanning 1 distinct space group.
What elements does As8In4K8Li4 contain?
As8In4K8Li4 contains As, In, K, and Li (4 elements).
Where does the data for As8In4K8Li4 come from?
As8In4K8Li4 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As8In4K8Li4 occupies a unique position as a stable, semiconducting quaternary phase. Unlike many complex multinary compounds that often exist as metastable phases, its presence on the convex hull indicates a high degree of structural integrity. It serves as a notable example of how alkali and post-transition metals can combine with pnictogens to form stable, semiconducting frameworks.

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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