Ce2Mg
Traditional Materials TRAMP-ID: mp-1038860 · Space group: Cm (#8)
Basic Information
Formula
Ce2Mg
MP-ID
mp-1038860
Elements
2
Sites
6
Density
6.4526
g/cm³
Volume
156.74
ų
Cell a
6.5543
Å
Cell b
6.5543
Å
Cell c
8.0614
Å
α Angle
73.07
°
β Angle
73.07
°
γ Angle
28.33
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 11.51 | 7.6892 | 21.5 | (0,0,1) |
| 14.61 | 6.0616 | 37.9 | (1,1,0) |
| 15.66 | 5.6577 | 55.3 | (1,1,1) |
| 21.22 | 4.1879 | 13.1 | (1,1,-1) |
| 23.13 | 3.8446 | 5.4 | (0,0,2) |
| 23.38 | 3.8044 | 2.7 | (1,1,2) |
| 28.79 | 3.1009 | 5.0 | (1,0,0) |
| 29.47 | 3.0308 | 8.3 | (2,2,0) |
| 30.24 | 2.9557 | 4.6 | (1,0,1) |
| 31.06 | 2.8790 | 44.9 | (1,1,-2) |
| 31.63 | 2.8288 | 70.9 | (2,2,2) |
| 31.94 | 2.8022 | 37.9 | (1,0,-1) |
| 33.63 | 2.6653 | 2.5 | (1,1,3) |
| 34.93 | 2.5687 | 27.8 | (2,2,-1) |
| 35.01 | 2.5631 | 30.4 | (0,0,3) |
| 35.46 | 2.5318 | 10.4 | (2,1,1) |
| 35.74 | 2.5124 | 89.5 | (2,1,0) |
| 35.78 | 2.5097 | 100.0 | (1,0,2) |
| 38.59 | 2.3328 | 5.4 | (2,2,3) |
| 38.68 | 2.3279 | 5.3 | (1,0,-2) |
| 38.99 | 2.3099 | 7.2 | (2,1,2) |
| 39.77 | 2.2665 | 2.2 | (2,1,-1) |
| 42.20 | 2.1413 | 2.1 | (1,1,-3) |
| 42.72 | 2.1167 | 3.0 | (3,3,1) |
Energy Properties
Formation Energy/atom
0.04801
eV/atom
Energy/atom
-21.90218
eV/atom
Energy above Hull
0.0723
eV/atom
Uncorrected Energy
-4.4291
eV/atom
Volume/atom
26.12
ų
c/a Ratio
1.2300
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.6618
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.004220
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.654
Family
Binary Alloy
Matrix Element
Ce · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1038860
Reference Citation
The crystal structure and related material properties of Ce2Mg were obtained from the Materials Project database (MP-ID: mp-1038860, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Ce2Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55429271
_cell_length_b 6.55429271
_cell_length_c 8.06143506
_cell_angle_alpha 73.06853327
_cell_angle_beta 73.06853327
_cell_angle_gamma 28.32789652
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce2Mg
_chemical_formula_sum 'Ce4 Mg2'
_cell_volume 156.74184868
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce Ce0 1 0.97979400 0.97979400 0.02157200 1.0
Ce Ce1 1 0.31763800 0.31763800 0.34818300 1.0
Ce Ce2 1 0.68458900 0.68458900 0.67221200 1.0
Ce Ce3 1 0.28427200 0.28427200 0.92084700 1.0
Mg Mg4 1 0.60300100 0.60300100 0.27822900 1.0
Mg Mg5 1 0.96403800 0.96403800 0.59229000 1.0
