CeMg2
CeMg2 is a metallic intermetallic compound formed from cerium and magnesium that exhibits high structural complexity and thermodynamic stability.
About CeMg2
CeMg2 is a metallic intermetallic compound composed of cerium and magnesium. It is characterized by its metallic electronic nature, reflecting the typical behavior of rare-earth magnesium alloys in solid-state systems. The compound is considered near-hull, indicating that it is thermodynamically stable and likely synthesizable under standard laboratory conditions. Its high structural richness, evidenced by numerous reported configurations, makes it a significant subject for researchers studying phase stability and alloy formation.
Key Properties
Cross-validated computational properties for CeMg2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CeMg2. 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 CeMg2, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0116 | -0.119 | — |
| — | — | 0.00 | 0.0119 | -0.118 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0165 | -0.003 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0238 | 0.004 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0301 | -13.078 | 4.10 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0302 | -13.078 | 4.18 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0354 | -13.073 | 4.35 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0419 | -13.066 | 4.39 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0433 | -13.065 | 3.91 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0511 | -13.057 | 4.36 |
| — | — | 0.00 | 0.0552 | -0.075 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0568 | -13.052 | 4.35 |
Applications
Where CeMg2 is used.
Frequently Asked Questions
Common questions about CeMg2, answered from cross-validated data.
What is CeMg2?
CeMg2 is a metallic intermetallic compound formed from cerium and magnesium that exhibits high structural complexity and thermodynamic stability.
What is CeMg2 used for?
What is the band gap of CeMg2?
Is CeMg2 a metal, semiconductor, or insulator?
Is CeMg2 thermodynamically stable?
What is the crystal structure of CeMg2?
What is the density of CeMg2?
How many polymorphs of CeMg2 are known?
What elements does CeMg2 contain?
Where does the data for CeMg2 come from?
How It Compares
As a distinct intermetallic phase, CeMg2 represents a key point of interest in rare-earth magnesium systems, serving as a foundational reference for understanding the structural complexity and bonding characteristics inherent in these binary metallic architectures.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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