CeMg
Traditional Materials TRAMP-ID: mp-1038816 · Space group: C2/m (#12)
Basic Information
Formula
CeMg
MP-ID
mp-1038816
Elements
2
Sites
4
Density
5.2051
g/cm³
Volume
104.91
ų
Cell a
5.8546
Å
Cell b
5.8546
Å
Cell c
5.9437
Å
α Angle
69.45
°
β Angle
69.45
°
γ Angle
33.61
°
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 |
|---|---|---|---|
| 16.03 | 5.5295 | 100.0 | (0,0,1) |
| 17.01 | 5.2141 | 8.3 | (1,1,0) |
| 18.62 | 4.7648 | 25.5 | (1,1,1) |
| 27.71 | 3.2197 | 22.6 | (1,0,0) |
| 30.50 | 2.9304 | 10.6 | (1,0,1) |
| 30.54 | 2.9270 | 31.9 | (1,1,2) |
| 32.14 | 2.7847 | 9.0 | (2,2,1) |
| 32.38 | 2.7648 | 24.7 | (0,0,2) |
| 33.76 | 2.6548 | 58.0 | (1,0,-1) |
| 34.40 | 2.6071 | 30.9 | (2,2,0) |
| 36.45 | 2.4650 | 61.8 | (2,1,1) |
| 37.07 | 2.4252 | 24.9 | (2,1,0) |
| 37.76 | 2.3824 | 5.5 | (2,2,2) |
| 42.24 | 2.1394 | 5.0 | (1,1,-2) |
| 42.85 | 2.1104 | 17.7 | (2,1,2) |
| 43.47 | 2.0819 | 9.2 | (2,2,-1) |
| 44.47 | 2.0375 | 15.7 | (2,1,-1) |
| 45.61 | 1.9892 | 15.2 | (1,0,-2) |
| 45.80 | 1.9810 | 7.2 | (1,1,3) |
| 48.83 | 1.8653 | 5.6 | (3,3,1) |
| 49.45 | 1.8432 | 1.9 | (0,0,3) |
| 50.77 | 1.7983 | 11.2 | (3,3,2) |
| 51.78 | 1.7656 | 3.0 | (3,2,2) |
| 52.66 | 1.7380 | 3.4 | (3,3,0) |
Energy Properties
Formation Energy/atom
-0.01994
eV/atom
Energy/atom
-17.52491
eV/atom
Energy above Hull
0.0165
eV/atom
Uncorrected Energy
-17.5249
eV/atom
Volume/atom
26.23
ų
c/a Ratio
1.0152
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.6548
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.015770
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.613
Family
Binary Alloy
Matrix Element
Ce · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1038816
Reference Citation
The crystal structure and related material properties of CeMg were obtained from the Materials Project database (MP-ID: mp-1038816, 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_CeMg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85463305
_cell_length_b 5.85463305
_cell_length_c 5.94370008
_cell_angle_alpha 69.44607109
_cell_angle_beta 69.44607109
_cell_angle_gamma 33.60782411
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg
_chemical_formula_sum 'Ce2 Mg2'
_cell_volume 104.90841336
_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 0.14302839 0.14302839 0.55532191 1.0
Ce Ce1 1 0.85697161 0.85697161 0.44467809 1.0
Mg Mg2 1 0.37100119 0.37100119 0.93419165 1.0
Mg Mg3 1 0.62899881 0.62899881 0.06580835 1.0
