CeZn2
CeZn2 is a stable metallic intermetallic compound formed from cerium and zinc.
About CeZn2
CeZn2 is a metallic intermetallic compound composed of cerium and zinc. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within the cerium-zinc binary system.
Its metallic character defines its electronic behavior, making it a subject of interest for researchers investigating the interplay between rare-earth magnetism and transition metal bonding. The compound is well-documented across multiple structural databases, reflecting its significance in fundamental materials science.
Key Properties
Cross-validated computational properties for CeZn2, aggregated across 6 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CeZn2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CeZn2, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.00 | 0.0000 | -3.113 | 7.02 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0057 | -3.108 | 7.05 |
| P6/mmm (No. 191) | — | — | — | — | — |
| P6/mmm (No. 191) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| — | — | — | — | — | 7.77 |
| Imma (No. 74) | Orthorhombic | — | — | — | 7.22 |
| No. 0 | unknown | — | — | — | 4.15 |
| No. 0 | unknown | — | — | — | 4.12 |
| Imma (No. 74) | Orthorhombic | — | — | — | 7.16 |
| Imma (No. 74) | Orthorhombic | — | — | — | 7.21 |
Applications
Where CeZn2 is used.
Frequently Asked Questions
Common questions about CeZn2, answered from cross-validated data.
What is CeZn2?
CeZn2 is a stable metallic intermetallic compound formed from cerium and zinc.
What is CeZn2 used for?
What is the band gap of CeZn2?
Is CeZn2 a metal, semiconductor, or insulator?
Is CeZn2 thermodynamically stable?
What is the crystal structure of CeZn2?
What is the density of CeZn2?
How many polymorphs of CeZn2 are known?
What elements does CeZn2 contain?
Where does the data for CeZn2 come from?
How It Compares
As a stable intermetallic phase, CeZn2 serves as a foundational reference point for understanding the structural diversity and thermodynamic landscape of cerium-zinc alloys.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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