Ca4Li4Sb4

Ca4Li4Sb4 is a stable, semiconducting ternary compound consisting of calcium, lithium, and antimony.

CaLiSb
Crystal structure of Ca4Li4Sb4
Ground-state structure · Materials Project
Overview

About Ca4Li4Sb4

Ca4Li4Sb4 is a distinct ternary compound composed of calcium, lithium, and antimony. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system.

Characterized as a semiconductor, this material is of significant interest for fundamental solid-state research. Its electronic properties make it a subject of study for those investigating the interplay between alkaline earth, alkali, and pnictogen elements in complex crystalline lattices.

At a glance

Key Properties

Cross-validated computational properties for Ca4Li4Sb4, aggregated across 3 databases.

Band Gap

0.64–0.98 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
Reference

Frequently Asked Questions

Common questions about Ca4Li4Sb4, answered from cross-validated data.

What is Ca4Li4Sb4?

Ca4Li4Sb4 is a stable, semiconducting ternary compound consisting of calcium, lithium, and antimony.

More questions
What is the band gap of Ca4Li4Sb4?
Ca4Li4Sb4 has a DFT-computed band gap of 0.64–0.98 eV across 4 reported structures.
Is Ca4Li4Sb4 a metal, semiconductor, or insulator?
With a band gap up to 0.98 eV it is a semiconductor.
Is Ca4Li4Sb4 thermodynamically stable?
Yes — Ca4Li4Sb4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ca4Li4Sb4 are known?
4 structures of Ca4Li4Sb4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ca4Li4Sb4 contain?
Ca4Li4Sb4 contains Ca, Li, and Sb (3 elements).
Where does the data for Ca4Li4Sb4 come from?
Ca4Li4Sb4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ca4Li4Sb4 serves as a foundational example of multi-component pnictide chemistry. It occupies a stable position in its compositional space, providing a benchmark for understanding the structural diversity and electronic behavior of complex calcium-lithium-antimony systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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