C2Ca2
C2Ca2 is a metallic, structurally diverse calcium carbide that exists in a metastable state.
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.
Key Properties
Cross-validated computational properties for C2Ca2, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for C2Ca2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 1.1361 | -7.460 | 2.34 |
| Cmcm (No. 63) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
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.
What is the band gap of C2Ca2?
Is C2Ca2 a metal, semiconductor, or insulator?
Is C2Ca2 thermodynamically stable?
What is the crystal structure of C2Ca2?
What is the density of C2Ca2?
How many polymorphs of C2Ca2 are known?
What elements does C2Ca2 contain?
Where does the data for C2Ca2 come from?
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
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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