CeMg
Cerium magnesium is an intermetallic compound composed of rare earth and alkaline earth elements. It is primarily studied for its structural properties and potential roles in advanced metallurgical research.
CeMg
Overview
Key Properties
Cross-validated computational properties for CeMg, 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.
0.01–0.11 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.
0.016 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.
Near hull (likely stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
74
5 databases, 15 space groups
Validation
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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
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. |
|---|---|---|---|---|---|
| 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 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0412 | -17.500 | 5.55 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0489 | -17.492 | 5.54 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0508 | -17.491 | 5.34 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0552 | -17.486 | 5.59 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.0626 | -17.479 | 5.61 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0635 | -17.478 | 5.34 |
| Amm2 (No. 38) | orthorhombic | 0.03 | 0.0676 | -17.474 | 5.29 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0733 | -17.468 | 5.55 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0757 | -17.466 | 5.63 |
| Amm2 (No. 38) | orthorhombic | 0.03 | 0.0761 | -17.465 | 5.21 |
Uses
Applications
Where CeMg is used.
Materials science researchAlloy developmentIntermetallic phase studies
Reference
Frequently Asked Questions
Common questions about CeMg, answered from cross-validated data.
What is CeMg?
Cerium magnesium is an intermetallic compound composed of rare earth and alkaline earth elements. It is primarily studied for its structural properties and potential roles in advanced metallurgical research.
More questions
What is CeMg used for?
CeMg is used in materials science research, alloy development, and intermetallic phase studies.
What is the band gap of CeMg?
CeMg has a DFT-computed band gap of 0.01–0.11 eV across 74 reported structures.
Is CeMg a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is CeMg thermodynamically stable?
CeMg has a lowest energy above hull of 0.016 eV/atom (near hull (likely stable)).
What is the crystal structure of CeMg?
The lowest-energy reported polymorph of CeMg is monoclinic symmetry, space group C2/m (No. 12).
What is the density of CeMg?
The computed density of the ground-state structure of CeMg is 5.21 g/cm³.
How many polymorphs of CeMg are known?
74 structures of CeMg are reported across 5 databases, spanning 15 distinct space groups.
What elements does CeMg contain?
CeMg contains Ce and Mg (2 elements).
Where does the data for CeMg come from?
CeMg data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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