CeMg
Traditional Materials TRAMP-ID: mp-1039505 · Space group: C2 (#5)
Basic Information
Formula
CeMg
MP-ID
mp-1039505
Elements
2
Sites
6
Density
4.9285
g/cm³
Volume
166.19
ų
Cell a
5.9217
Å
Cell b
5.9217
Å
Cell c
6.6474
Å
α Angle
60.79
°
β Angle
60.79
°
γ Angle
59.57
°
Space Group
C2
Point Group
2
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 |
|---|---|---|---|
| 16.12 | 5.4967 | 20.6 | (0,0,1) |
| 17.81 | 4.9801 | 67.3 | (1,1,1) |
| 18.34 | 4.8373 | 30.5 | (1,0,0) |
| 20.20 | 4.3954 | 72.2 | (1,0,1) |
| 28.21 | 3.1637 | 35.7 | (1,0,-1) |
| 30.22 | 2.9572 | 51.4 | (2,1,1) |
| 30.39 | 2.9415 | 24.7 | (1,-1,0) |
| 31.89 | 2.8063 | 7.2 | (1,0,2) |
| 32.58 | 2.7483 | 72.0 | (0,0,2) |
| 33.11 | 2.7055 | 13.2 | (1,1,-1) |
| 33.71 | 2.6591 | 100.0 | (2,1,2) |
| 34.59 | 2.5935 | 94.2 | (1,-1,1) |
| 35.16 | 2.5526 | 89.3 | (2,1,0) |
| 35.44 | 2.5327 | 6.6 | (2,0,1) |
| 35.72 | 2.5135 | 12.0 | (2,2,1) |
| 37.17 | 2.4187 | 15.0 | (2,0,0) |
| 41.07 | 2.1977 | 12.7 | (2,0,2) |
| 41.25 | 2.1884 | 9.0 | (1,1,3) |
| 42.73 | 2.1163 | 4.0 | (1,0,-2) |
| 43.44 | 2.0830 | 6.2 | (2,2,3) |
| 43.86 | 2.0642 | 18.3 | (2,1,3) |
| 45.15 | 2.0082 | 16.5 | (1,-1,2) |
| 45.55 | 1.9913 | 2.9 | (2,0,-1) |
| 46.18 | 1.9657 | 15.8 | (2,1,-1) |
Energy Properties
Formation Energy/atom
0.08598
eV/atom
Energy/atom
-17.41899
eV/atom
Energy above Hull
0.1224
eV/atom
Uncorrected Energy
-3.6632
eV/atom
Volume/atom
27.70
ų
c/a Ratio
1.1226
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.5922
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.021610
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
0.543
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-1039505
Reference Citation
The crystal structure and related material properties of CeMg were obtained from the Materials Project database (MP-ID: mp-1039505, 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 5.92165567
_cell_length_b 5.92165567
_cell_length_c 6.64735653
_cell_angle_alpha 60.78620555
_cell_angle_beta 60.78620555
_cell_angle_gamma 59.56849973
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg
_chemical_formula_sum 'Ce3 Mg3'
_cell_volume 166.19257651
_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 0.33561200 0.66438800 0.00000000 1.0
Ce Ce1 1 0.16732300 0.16459300 0.50436100 1.0
Ce Ce2 1 0.83540700 0.83267700 0.49563900 1.0
Mg Mg3 1 0.65947800 0.00094400 0.99832900 1.0
Mg Mg4 1 0.99905600 0.34052200 0.00167100 1.0
Mg Mg5 1 0.50312200 0.49687800 0.50000000 1.0
