Y4C7
Y4C7 is a stable, semiconducting yttrium carbide compound known for its structural complexity.
About Y4C7
Y4C7 is a distinct yttrium carbide characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within the yttrium-carbon binary system.
The compound is notable for its structural diversity, with multiple reported configurations across materials databases. This structural flexibility makes it a subject of interest for researchers investigating the fundamental interactions between rare-earth metals and carbon in solid-state chemistry.
Key Properties
Cross-validated computational properties for Y4C7, 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 Y4C7, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.58 | 0.0000 | -8.504 | 4.59 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0042 | -8.500 | 4.59 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.54 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.65 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.57 |
Applications
Where Y4C7 is used.
Frequently Asked Questions
Common questions about Y4C7, answered from cross-validated data.
What is Y4C7?
Y4C7 is a stable, semiconducting yttrium carbide compound known for its structural complexity.
What is Y4C7 used for?
What is the band gap of Y4C7?
Is Y4C7 a metal, semiconductor, or insulator?
Is Y4C7 thermodynamically stable?
What is the crystal structure of Y4C7?
What is the density of Y4C7?
How many polymorphs of Y4C7 are known?
What elements does Y4C7 contain?
Where does the data for Y4C7 come from?
How It Compares
As a unique binary carbide, Y4C7 occupies a specialized position within the broader family of rare-earth carbides. Unlike simpler stoichiometric carbides, its complex composition and stable electronic profile highlight the intricate phase space available in yttrium-based systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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