CeMg2
Traditional Materials TRAMP-ID: mp-1039304 · Space group: C2/m (#12)
Basic Information
Formula
CeMg2
MP-ID
mp-1039304
Elements
2
Sites
6
Density
4.1822
g/cm³
Volume
149.87
ų
Cell a
5.9254
Å
Cell b
5.9254
Å
Cell c
8.2843
Å
α Angle
76.32
°
β Angle
76.32
°
γ Angle
32.11
°
Space Group
C2/m
Point Group
2/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 |
|---|---|---|---|
| 11.02 | 8.0293 | 100.0 | (0,0,1) |
| 16.06 | 5.5190 | 9.0 | (1,1,0) |
| 17.11 | 5.1826 | 3.1 | (1,1,1) |
| 21.67 | 4.1012 | 9.3 | (1,1,-1) |
| 22.14 | 4.0147 | 23.6 | (0,0,2) |
| 28.40 | 3.1423 | 7.5 | (1,0,0) |
| 29.80 | 2.9984 | 11.2 | (1,0,1) |
| 30.59 | 2.9223 | 13.7 | (1,1,-2) |
| 31.29 | 2.8590 | 9.1 | (1,0,-1) |
| 31.58 | 2.8328 | 6.0 | (2,2,1) |
| 32.45 | 2.7595 | 4.2 | (2,2,0) |
| 33.48 | 2.6764 | 16.1 | (0,0,3) |
| 34.62 | 2.5913 | 18.9 | (2,2,2) |
| 35.01 | 2.5632 | 29.4 | (1,0,2) |
| 36.59 | 2.4560 | 12.0 | (2,1,1) |
| 36.72 | 2.4475 | 34.0 | (2,1,0) |
| 36.96 | 2.4321 | 6.7 | (2,2,-1) |
| 39.88 | 2.2608 | 8.8 | (2,1,2) |
| 40.24 | 2.2410 | 9.2 | (2,1,-1) |
| 40.78 | 2.2126 | 4.0 | (2,2,3) |
| 40.94 | 2.2045 | 2.8 | (1,1,-3) |
| 42.82 | 2.1119 | 5.7 | (1,0,3) |
| 44.04 | 2.0560 | 1.8 | (1,1,4) |
| 45.17 | 2.0073 | 1.6 | (0,0,4) |
Energy Properties
Formation Energy/atom
-0.01828
eV/atom
Energy/atom
-13.07802
eV/atom
Energy above Hull
0.0303
eV/atom
Uncorrected Energy
-13.0780
eV/atom
Volume/atom
24.98
ų
c/a Ratio
1.3981
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.8040
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.012040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 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
0.892
Family
Mg-based Alloy
Matrix Element
Mg · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1039304
Reference Citation
The crystal structure and related material properties of CeMg2 were obtained from the Materials Project database (MP-ID: mp-1039304, 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_CeMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92539070
_cell_length_b 5.92539070
_cell_length_c 8.28425574
_cell_angle_alpha 76.31585541
_cell_angle_beta 76.31585541
_cell_angle_gamma 32.11451832
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg2
_chemical_formula_sum 'Ce2 Mg4'
_cell_volume 149.86775459
_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 0.65692703 0.65692703 0.46987072 1.0
Ce Ce1 1 0.34307297 0.34307297 0.53012928 1.0
Mg Mg2 1 0.31292069 0.31292069 0.11913672 1.0
Mg Mg3 1 0.02657888 0.02657888 0.18717621 1.0
Mg Mg4 1 0.97342112 0.97342112 0.81282379 1.0
Mg Mg5 1 0.68707931 0.68707931 0.88086328 1.0
