Ce2Mg
This intermetallic compound consists of cerium and magnesium. It is primarily studied for its structural and electronic properties within the field of rare-earth metal alloys.
CeMg
Overview
Key Properties
Cross-validated computational properties for Ce2Mg, aggregated across 4 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.
Metallic / not reported
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.
0.034 eV/atom
Best (lowest) across sources
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.
Metastable
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
58
4 databases, 12 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ce2Mg, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.00 | 0.0338 | -21.941 | 6.08 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0478 | -21.927 | 6.78 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0501 | -21.924 | 6.81 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0523 | -21.922 | 6.37 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0700 | -21.904 | 6.48 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0701 | -21.904 | 6.34 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0723 | -21.902 | 6.45 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0767 | -21.898 | 6.63 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0775 | -21.897 | 6.57 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0830 | -21.891 | 6.57 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0838 | -21.891 | 6.57 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0914 | -21.883 | 6.21 |
Uses
Applications
Where Ce2Mg is used.
Materials science researchAlloy development
Reference
Frequently Asked Questions
Common questions about Ce2Mg, answered from cross-validated data.
What is Ce2Mg?
This intermetallic compound consists of cerium and magnesium. It is primarily studied for its structural and electronic properties within the field of rare-earth metal alloys.
More questions
What is Ce2Mg used for?
Ce2Mg is used in materials science research and alloy development.
What is the band gap of Ce2Mg?
Ce2Mg is computed to be metallic (no band gap) in the reported DFT structures.
Is Ce2Mg a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Ce2Mg thermodynamically stable?
Ce2Mg has a lowest energy above hull of 0.034 eV/atom (metastable).
What is the crystal structure of Ce2Mg?
The lowest-energy reported polymorph of Ce2Mg is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Ce2Mg?
The computed density of the ground-state structure of Ce2Mg is 6.08 g/cm³.
How many polymorphs of Ce2Mg are known?
58 structures of Ce2Mg are reported across 4 databases, spanning 12 distinct space groups.
What elements does Ce2Mg contain?
Ce2Mg contains Ce and Mg (2 elements).
Where does the data for Ce2Mg come from?
Ce2Mg data is cross-referenced from materials_project, mpaloe, jarvis.
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).
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