BeC2

BeC2 is a wide-gap insulating beryllium carbide that exists as a metastable phase with a high degree of structural complexity.

BeC
Crystal structure of BeC2
Ground-state structure · Materials Project
Overview

About BeC2

BeC2 is a beryllium carbide compound characterized by its wide-gap insulating electronic nature. Due to its position above the thermodynamic hull, it is considered a metastable phase that requires specific conditions for synthesis and stabilization.

This material is a subject of extensive theoretical interest, with a vast array of predicted structural configurations identified across major materials databases. Its study contributes to the broader understanding of bonding behaviors in light-element carbides and the potential for novel carbon-based frameworks.

At a glance

Key Properties

Cross-validated computational properties for BeC2, aggregated across 3 databases.

Band Gap

1.67–3.22 eV
Range across DFT structures

Energy Above Hull

0.964 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

170
3 databases, 24 space groups
Uses

Applications

Where BeC2 is used.

Fundamental materials researchTheoretical structural modelingHigh-pressure phase exploration
Reference

Frequently Asked Questions

Common questions about BeC2, answered from cross-validated data.

What is BeC2?

BeC2 is a wide-gap insulating beryllium carbide that exists as a metastable phase with a high degree of structural complexity.

More questions
What is BeC2 used for?
BeC2 is used in fundamental materials research, theoretical structural modeling, and high-pressure phase exploration.
What is the band gap of BeC2?
BeC2 has a DFT-computed band gap of 1.67–3.22 eV across 170 reported structures.
Is BeC2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.22 eV it is an insulator / wide-band-gap material.
Is BeC2 thermodynamically stable?
BeC2 has a lowest energy above hull of 0.964 eV/atom (above hull).
How many polymorphs of BeC2 are known?
170 structures of BeC2 are reported across 3 databases, spanning 24 distinct space groups.
What elements does BeC2 contain?
BeC2 contains Be and C (2 elements).
Where does the data for BeC2 come from?
BeC2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the beryllium-carbon system, BeC2 represents a unique structural challenge compared to more stable, naturally occurring carbide phases. Its high structural diversity suggests complex potential energy landscapes that distinguish it from simpler, more thermodynamically favored binary compounds.

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

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