BaC2

Barium carbide · Barium acetylide

Barium carbide is a semiconducting binary compound of barium and carbon that is primarily studied for its complex structural behavior.

BaC
Crystal structure of BaC2
Ground-state structure · Materials Project
Overview

About Barium carbide

Barium carbide is a binary compound composed of barium and carbon. As a semiconducting material, it represents a specialized chemical system that has been the subject of extensive structural investigation across multiple databases.

While it is often found to be thermodynamically unstable relative to other phases, its complex structural landscape makes it a significant subject for researchers studying carbide chemistry and solid-state reactivity.

At a glance

Key Properties

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

Band Gap

1.38–2.92 eV
Range across DFT structures

Energy Above Hull

0.147 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

40
3 databases, 17 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting BaC2.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Barium carbide is used.

Chemical synthesisMaterials science researchPrecursor for acetylene production
Reference

Frequently Asked Questions

Common questions about Barium carbide, answered from cross-validated data.

What is BaC2?

Barium carbide is a semiconducting binary compound of barium and carbon that is primarily studied for its complex structural behavior.

More questions
What is BaC2 used for?
Barium carbide (BaC2) is used in chemical synthesis, materials science research, and precursor for acetylene production.
What is the band gap of BaC2?
Barium carbide (BaC2) has a DFT-computed band gap of 1.38–2.92 eV across 40 reported structures.
Is BaC2 a metal, semiconductor, or insulator?
With a band gap up to 2.92 eV it is a semiconductor.
Is BaC2 thermodynamically stable?
Barium carbide (BaC2) has a lowest energy above hull of 0.147 eV/atom (above hull).
How many polymorphs of BaC2 are known?
40 structures of BaC2 are reported across 3 databases, spanning 17 distinct space groups.
How is BaC2 synthesized?
Literature-reported routes for BaC2 include solid state.
What elements does BaC2 contain?
Barium carbide (BaC2) contains Ba and C (2 elements).
Where does the data for BaC2 come from?
BaC2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary carbide, this compound serves as a distinct example of alkaline earth metal carbon chemistry, standing apart from more common industrial carbides due to its specific electronic character and structural diversity.

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

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