Ce3Mg
Ce3Mg is a metastable intermetallic compound characterized by its metallic electronic structure and structural variability.
About Ce3Mg
Ce3Mg is a metallic intermetallic compound composed of cerium and magnesium. As a metastable phase, it represents a complex structural arrangement that highlights the intricate alloying behavior between rare-earth elements and alkaline earth metals.
Its significance lies in its structural diversity, with numerous reported configurations across various databases. This makes it a subject of interest for researchers studying phase stability and the fundamental interactions within cerium-magnesium systems.
Key Properties
Cross-validated computational properties for Ce3Mg, 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.
Reported Structures
Lowest-energy structures reported for Ce3Mg, 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 | 0.0857 | -24.105 | 7.11 |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.0884 | -24.103 | 6.96 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0935 | -24.098 | 6.73 |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.0964 | -24.095 | 6.82 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1030 | -24.088 | 6.62 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1391 | -24.052 | 6.68 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.1964 | -23.995 | 6.95 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 6.73 |
| P63/mmc (No. 194) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P-6m2 (No. 187) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
Applications
Where Ce3Mg is used.
Frequently Asked Questions
Common questions about Ce3Mg, answered from cross-validated data.
What is Ce3Mg?
Ce3Mg is a metastable intermetallic compound characterized by its metallic electronic structure and structural variability.
What is Ce3Mg used for?
What is the band gap of Ce3Mg?
Is Ce3Mg a metal, semiconductor, or insulator?
Is Ce3Mg thermodynamically stable?
What is the crystal structure of Ce3Mg?
What is the density of Ce3Mg?
How many polymorphs of Ce3Mg are known?
What elements does Ce3Mg contain?
Where does the data for Ce3Mg come from?
How It Compares
As a metastable metallic phase, Ce3Mg serves as a distinct example of the structural complexity found in cerium-rich binary systems, where the precise arrangement of atoms is highly sensitive to synthesis conditions.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- 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).
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