CeMg
CeMg is a semiconducting intermetallic compound composed of cerium and magnesium that is considered potentially synthesizable due to its thermodynamic stability.
About CeMg
CeMg is a semiconducting binary intermetallic compound composed of cerium and magnesium. Its electronic properties and structural configuration make it a subject of significant interest for researchers exploring novel functional materials with specific semiconducting behavior. The material is recognized for its proximity to the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis and further characterization in laboratory settings. Given the extensive structural data available across multiple databases, CeMg represents a well-documented entry in the landscape of cerium-based alloys. Its potential utility lies in its unique electronic character, which distinguishes it from more common metallic alloys and positions it for specialized applications in materials science.
Key Properties
Cross-validated computational properties for CeMg, 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 CeMg. 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 CeMg, 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. |
|---|---|---|---|---|---|
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0000 | -0.028 | — |
| — | — | 0.00 | 0.0000 | -0.123 | — |
| — | — | 0.00 | 0.0001 | -0.123 | — |
| — | — | 0.00 | 0.0007 | -0.122 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0165 | -17.525 | 5.21 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0302 | -17.511 | 5.33 |
| — | — | 0.00 | 0.0435 | -0.079 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0450 | 0.017 | — |
| — | — | 0.00 | 0.0484 | -0.074 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0489 | -17.492 | 5.54 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0552 | -17.486 | 5.59 |
| — | — | 0.00 | 0.0576 | -0.065 | — |
Applications
Where CeMg is used.
Frequently Asked Questions
Common questions about CeMg, answered from cross-validated data.
What is CeMg?
CeMg is a semiconducting intermetallic compound composed of cerium and magnesium that is considered potentially synthesizable due to its thermodynamic stability.
What is CeMg used for?
What is the band gap of CeMg?
Is CeMg a metal, semiconductor, or insulator?
Is CeMg thermodynamically stable?
What is the crystal structure of CeMg?
How many polymorphs of CeMg are known?
What elements does CeMg contain?
Where does the data for CeMg come from?
How It Compares
As a semiconducting intermetallic, CeMg occupies a distinct niche within the broader category of cerium-magnesium compounds. Unlike many metallic counterparts in this class that exhibit simple metallic conduction, CeMg offers a more complex electronic profile, providing a unique platform for studying the interplay between rare-earth elements and alkaline earth metals in a semiconducting framework.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- 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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