CeMg5
Cerium magnesium is an intermetallic compound composed of rare earth and alkaline earth elements. It is primarily studied for its potential roles in hydrogen storage technologies and as a precursor material in metallurgical alloying processes.
CeMg
Overview
Key Properties
Cross-validated computational properties for CeMg5, aggregated across 3 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.
0.23 eV
Range across DFT structures
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.
0.033 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
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
23
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CeMg5, 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 | 0.0330 | -8.627 | 3.12 |
| Amm2 (No. 38) | orthorhombic | 0.23 | 0.0686 | -8.591 | 2.98 |
| P-62m (No. 189) | hexagonal | 0.00 | 0.0693 | -8.591 | 2.79 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0733 | -8.587 | 2.88 |
| R32 (No. 155) | trigonal | 0.00 | 0.1367 | -8.523 | 2.90 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.93 |
| P-62m (No. 189) | Hexagonal | — | — | — | 2.89 |
| P-62m (No. 189) | Hexagonal | — | — | — | 2.89 |
| P-62m (No. 189) | Hexagonal | — | — | — | 2.79 |
| P-6m2 (No. 187) | — | — | — | — | — |
| P-62m (No. 189) | — | — | — | — | — |
| P-62m (No. 189) | — | — | — | — | — |
Uses
Applications
Where CeMg5 is used.
Hydrogen storage researchAlloy developmentMaterials science research
Reference
Frequently Asked Questions
Common questions about CeMg5, answered from cross-validated data.
What is CeMg5?
Cerium magnesium is an intermetallic compound composed of rare earth and alkaline earth elements. It is primarily studied for its potential roles in hydrogen storage technologies and as a precursor material in metallurgical alloying processes.
More questions
What is CeMg5 used for?
CeMg5 is used in hydrogen storage research, alloy development, and materials science research.
What is the band gap of CeMg5?
CeMg5 has a DFT-computed band gap of 0.23 eV across 23 reported structures.
Is CeMg5 a metal, semiconductor, or insulator?
With a band gap up to 0.23 eV it is a semiconductor.
Is CeMg5 thermodynamically stable?
CeMg5 has a lowest energy above hull of 0.033 eV/atom (metastable).
What is the crystal structure of CeMg5?
The lowest-energy reported polymorph of CeMg5 is hexagonal symmetry, space group P-6m2 (No. 187).
What is the density of CeMg5?
The computed density of the ground-state structure of CeMg5 is 3.12 g/cm³.
How many polymorphs of CeMg5 are known?
23 structures of CeMg5 are reported across 3 databases, spanning 5 distinct space groups.
What elements does CeMg5 contain?
CeMg5 contains Ce and Mg (2 elements).
Where does the data for CeMg5 come from?
CeMg5 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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