Ca2Sb

Ca2Sb is a thermodynamically stable metallic binary compound composed of calcium and antimony.

CaSb
Crystal structure of Ca2Sb
Ground-state structure · Materials Project
Overview

About Ca2Sb

Ca2Sb is a metallic compound formed from calcium and antimony that sits firmly on the convex hull, indicating high thermodynamic stability. Its electronic character is defined by a lack of a band gap, classifying it as a metal rather than a semiconductor or insulator.

This material is notable for its structural complexity, as evidenced by the high number of reported structures across major databases. It serves as a significant subject for researchers investigating the phase stability and bonding interactions within binary calcium-antimony systems.

At a glance

Key Properties

Cross-validated computational properties for Ca2Sb, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

42
4 databases, 13 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of Ca2Sb. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: medium

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

2
jarvis, materials_project

Space Group Consensus

All match
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Ca2Sb.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Ca2Sb is used.

Materials science researchSolid-state chemistry studiesPhase stability modeling
Reference

Frequently Asked Questions

Common questions about Ca2Sb, answered from cross-validated data.

What is Ca2Sb?

Ca2Sb is a thermodynamically stable metallic binary compound composed of calcium and antimony.

More questions
What is Ca2Sb used for?
Ca2Sb is used in materials science research, solid-state chemistry studies, and phase stability modeling.
What is the band gap of Ca2Sb?
Ca2Sb is computed to be metallic (no band gap) in the reported DFT structures.
Is Ca2Sb a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Ca2Sb thermodynamically stable?
Yes — Ca2Sb sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ca2Sb are known?
42 structures of Ca2Sb are reported across 4 databases, spanning 13 distinct space groups.
How is Ca2Sb synthesized?
Literature-reported routes for Ca2Sb include solid state.
What elements does Ca2Sb contain?
Ca2Sb contains Ca and Sb (2 elements).
Where does the data for Ca2Sb come from?
Ca2Sb data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable binary metallic phase, Ca2Sb represents a foundational point of reference for understanding the structural landscape of calcium-antimony compounds, providing a benchmark for stability and electronic behavior in this chemical space.

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

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