CeMg
Traditional Materials TRAMP-ID: mp-1039481 · Space group: Cm (#8)
Basic Information
Formula
CeMg
MP-ID
mp-1039481
Elements
2
Sites
6
Density
5.3378
g/cm³
Volume
153.45
ų
Cell a
6.4604
Å
Cell b
6.4604
Å
Cell c
7.9996
Å
α Angle
77.35
°
β Angle
77.35
°
γ Angle
28.15
°
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 |
|---|---|---|---|
| 11.35 | 7.7930 | 100.0 | (0,0,1) |
| 14.51 | 6.1046 | 2.1 | (1,1,0) |
| 16.30 | 5.4386 | 8.2 | (1,1,1) |
| 20.41 | 4.3523 | 12.2 | (1,1,-1) |
| 22.82 | 3.8965 | 4.5 | (0,0,2) |
| 24.16 | 3.6832 | 5.1 | (1,1,2) |
| 28.91 | 3.0888 | 5.1 | (2,2,1) |
| 29.26 | 3.0523 | 1.9 | (2,2,0) |
| 29.86 | 2.9923 | 17.1 | (1,1,-2) |
| 30.94 | 2.8903 | 9.5 | (1,0,1) |
| 32.17 | 2.7821 | 14.0 | (1,0,-1) |
| 32.94 | 2.7193 | 27.9 | (2,2,2) |
| 33.87 | 2.6464 | 16.1 | (2,2,-1) |
| 34.33 | 2.6122 | 1.8 | (1,1,3) |
| 34.53 | 2.5977 | 13.8 | (0,0,3) |
| 36.11 | 2.4872 | 41.8 | (2,1,0) |
| 36.37 | 2.4702 | 14.7 | (2,1,1) |
| 36.42 | 2.4666 | 35.4 | (1,0,2) |
| 38.55 | 2.3354 | 6.4 | (1,0,-2) |
| 39.52 | 2.2801 | 7.0 | (2,1,-1) |
| 40.19 | 2.2441 | 7.0 | (2,2,3) |
| 40.23 | 2.2414 | 2.2 | (2,1,2) |
| 40.70 | 2.2167 | 2.5 | (1,1,-3) |
| 41.50 | 2.1762 | 4.2 | (2,2,-2) |
Energy Properties
Formation Energy/atom
0.02708
eV/atom
Energy/atom
-17.47789
eV/atom
Energy above Hull
0.0635
eV/atom
Uncorrected Energy
-3.7221
eV/atom
Volume/atom
25.58
ų
c/a Ratio
1.2383
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0022
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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
0.582
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-1039481
Reference Citation
The crystal structure and related material properties of CeMg were obtained from the Materials Project database (MP-ID: mp-1039481, 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 6.46039237
_cell_length_b 6.46039237
_cell_length_c 7.99955783
_cell_angle_alpha 77.34982613
_cell_angle_beta 77.34982613
_cell_angle_gamma 28.15028411
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg
_chemical_formula_sum 'Ce3 Mg3'
_cell_volume 153.45023892
_cell_formula_units_Z 3
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 0.61909100 0.61909100 0.29937600 1.0
Ce Ce1 1 0.32253200 0.32253200 0.34398000 1.0
Ce Ce2 1 0.94818200 0.94818200 0.57210100 1.0
Mg Mg3 1 0.00021400 0.00021400 0.98665800 1.0
Mg Mg4 1 0.66517400 0.66517400 0.68966100 1.0
Mg Mg5 1 0.27813900 0.27813900 0.94155800 1.0
