C4Sr2
C4Sr2 is a thermodynamically stable semiconducting carbide compound formed from strontium and carbon.
About C4Sr2
C4Sr2 is a semiconducting carbide composed of strontium and carbon. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system, supported by a significant body of structural data across multiple databases. Its electronic properties suggest potential utility in specialized semiconductor applications where carbon-based frameworks are integrated with alkaline earth metals. The material is of interest for researchers investigating the fundamental behavior of metal-carbide systems and their potential for electronic or structural tuning. Its stability makes it a reliable candidate for further experimental characterization in solid-state chemistry.
Key Properties
Cross-validated computational properties for C4Sr2, aggregated across 3 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 C4Sr2, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.29 | 0.0000 | -11.807 | 3.20 |
| I4/mmm (No. 139) | tetragonal | 1.69 | 0.0033 | -11.804 | 3.24 |
| R-3m (No. 166) | trigonal | 1.77 | 0.2015 | -11.606 | 3.66 |
| R-3m (No. 166) | trigonal | 0.00 | 2.6540 | -9.153 | 3.41 |
| I4/mcm (No. 140) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Pnnm (No. 58) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| — | — | — | — | — | 2.06 |
Applications
Where C4Sr2 is used.
Frequently Asked Questions
Common questions about C4Sr2, answered from cross-validated data.
What is C4Sr2?
C4Sr2 is a thermodynamically stable semiconducting carbide compound formed from strontium and carbon.
What is C4Sr2 used for?
What is the band gap of C4Sr2?
Is C4Sr2 a metal, semiconductor, or insulator?
Is C4Sr2 thermodynamically stable?
What is the crystal structure of C4Sr2?
What is the density of C4Sr2?
How many polymorphs of C4Sr2 are known?
What elements does C4Sr2 contain?
Where does the data for C4Sr2 come from?
How It Compares
As a unique carbide phase, C4Sr2 serves as a foundational example of how alkaline earth metals can stabilize specific carbon architectures. It occupies a distinct position in the landscape of metal-carbon compounds, providing a stable reference point for understanding the electronic and structural trends that govern the formation of semiconducting carbides.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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