BaSiC

BaSiC is a semiconducting ternary compound containing barium, silicon, and carbon that is currently being studied for its structural properties.

BaCSi
Crystal structure of BaSiC
Ground-state structure · Materials Project
Overview

About BaSiC

BaSiC is a ternary compound composed of barium, silicon, and carbon. As a semiconducting material, it represents a unique intersection of alkaline earth, metalloid, and non-metal chemistry, offering potential insights into complex bonding environments.

While current data indicates the material sits above the thermodynamic hull, its existence across multiple structural configurations makes it a subject of interest for computational materials science. Understanding its stability and electronic behavior is essential for mapping the broader landscape of ternary barium-based systems.

At a glance

Key Properties

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

Band Gap

0.26–0.97 eV
Range across DFT structures

Energy Above Hull

0.444 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

8
3 databases, 3 space groups
Reference

Frequently Asked Questions

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

What is BaSiC?

BaSiC is a semiconducting ternary compound containing barium, silicon, and carbon that is currently being studied for its structural properties.

More questions
What is the band gap of BaSiC?
BaSiC has a DFT-computed band gap of 0.26–0.97 eV across 8 reported structures.
Is BaSiC a metal, semiconductor, or insulator?
With a band gap up to 0.97 eV it is a semiconductor.
Is BaSiC thermodynamically stable?
BaSiC has a lowest energy above hull of 0.444 eV/atom (above hull).
How many polymorphs of BaSiC are known?
8 structures of BaSiC are reported across 3 databases, spanning 3 distinct space groups.
What elements does BaSiC contain?
BaSiC contains Ba, C, and Si (3 elements).
Where does the data for BaSiC come from?
BaSiC data is cross-referenced from latticegraph.
Comparison

How It Compares

As a relatively rare ternary phase, BaSiC serves as a foundational study in the exploration of barium-silicon-carbon interactions, providing a baseline for future investigations into more complex or stable derivatives within this chemical space.

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

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