C2Ca2

C2Ca2 is a metallic, structurally diverse calcium carbide that exists in a metastable state.

CCa
Crystal structure of C2Ca2
Ground-state structure · Materials Project
Overview

About C2Ca2

C2Ca2 is a metallic compound composed of calcium and carbon. Its electronic character suggests conductive properties, distinguishing it from typical insulating carbides found in similar chemical families. Although it is a data-rich material with numerous documented structural configurations, it is characterized as being above the thermodynamic hull, indicating potential instability under standard conditions. This compound remains a subject of interest for researchers investigating the diverse phase space of metal-carbon systems and the synthesis of unconventional carbide structures. Its ability to adopt various structural arrangements highlights the complex bonding interactions between calcium and carbon atoms.

At a glance

Key Properties

Cross-validated computational properties for C2Ca2, aggregated across 5 databases.

Band Gap

Metallic / not reported

Energy Above Hull

1.136 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

36
5 databases, 12 space groups
Reference

Frequently Asked Questions

Common questions about C2Ca2, answered from cross-validated data.

What is C2Ca2?

C2Ca2 is a metallic, structurally diverse calcium carbide that exists in a metastable state.

More questions
What is the band gap of C2Ca2?
C2Ca2 is computed to be metallic (no band gap) in the reported DFT structures.
Is C2Ca2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is C2Ca2 thermodynamically stable?
C2Ca2 has a lowest energy above hull of 1.136 eV/atom (above hull).
How many polymorphs of C2Ca2 are known?
36 structures of C2Ca2 are reported across 5 databases, spanning 12 distinct space groups.
What elements does C2Ca2 contain?
C2Ca2 contains C and Ca (2 elements).
Where does the data for C2Ca2 come from?
C2Ca2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique metallic carbide, C2Ca2 occupies a distinct position within the broader landscape of calcium-based compounds. Unlike more common, stable carbides that exhibit insulating or semiconducting behavior, this material is defined by its metallic nature and structural diversity, serving as a notable example of the metastable phases that can emerge in carbon-rich inorganic systems.

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

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