CeMg2
Traditional Materials TRAMP-ID: mp-1039548 · Space group: C2/c (#15)
Basic Information
Formula
CeMg2
MP-ID
mp-1039548
Elements
2
Sites
6
Density
4.0249
g/cm³
Volume
155.72
ų
Cell a
5.8117
Å
Cell b
5.8117
Å
Cell c
6.0011
Å
α Angle
67.04
°
β Angle
67.04
°
γ Angle
59.28
°
Space Group
C2/c
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 |
|---|---|---|---|
| 18.30 | 4.8490 | 100.0 | (1,0,0) |
| 19.67 | 4.5141 | 54.1 | (1,1,0) |
| 21.54 | 4.1253 | 17.9 | (1,0,1) |
| 27.61 | 3.2303 | 9.6 | (1,0,-1) |
| 30.18 | 2.9617 | 18.7 | (1,1,2) |
| 30.96 | 2.8887 | 21.6 | (2,1,1) |
| 31.12 | 2.8743 | 16.0 | (1,-1,0) |
| 33.42 | 2.6815 | 40.8 | (0,0,2) |
| 33.61 | 2.6661 | 63.0 | (2,1,0) |
| 34.09 | 2.6304 | 21.9 | (1,0,2) |
| 35.43 | 2.5334 | 47.0 | (1,-1,1) |
| 36.82 | 2.4411 | 14.5 | (2,0,1) |
| 36.90 | 2.4359 | 48.8 | (2,1,2) |
| 37.08 | 2.4245 | 7.6 | (2,0,0) |
| 38.96 | 2.3120 | 9.4 | (2,2,2) |
| 39.94 | 2.2570 | 8.7 | (2,2,0) |
| 42.26 | 2.1384 | 11.8 | (1,0,-2) |
| 43.50 | 2.0804 | 8.4 | (2,1,-1) |
| 43.89 | 2.0626 | 4.7 | (2,0,2) |
| 44.57 | 2.0330 | 8.6 | (2,0,-1) |
| 46.31 | 1.9607 | 10.5 | (1,-1,2) |
| 46.51 | 1.9526 | 5.9 | (1,1,-2) |
| 47.96 | 1.8967 | 6.8 | (3,1,1) |
| 48.06 | 1.8930 | 2.2 | (3,2,1) |
Energy Properties
Formation Energy/atom
0.05090
eV/atom
Energy/atom
-13.00884
eV/atom
Energy above Hull
0.0994
eV/atom
Uncorrected Energy
-2.9703
eV/atom
Volume/atom
25.95
ų
c/a Ratio
1.0326
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.3356
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.015000
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
0.846
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-1039548
Reference Citation
The crystal structure and related material properties of CeMg2 were obtained from the Materials Project database (MP-ID: mp-1039548, 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 5.81174476
_cell_length_b 5.81174476
_cell_length_c 6.00112474
_cell_angle_alpha 67.04367318
_cell_angle_beta 67.04367318
_cell_angle_gamma 59.28176473
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeMg2
_chemical_formula_sum 'Ce2 Mg4'
_cell_volume 155.72487448
_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 0.07580400 0.92419600 0.25000000 1.0
Ce Ce1 1 0.92419600 0.07580400 0.75000000 1.0
Mg Mg2 1 0.25470300 0.41378500 0.74851800 1.0
Mg Mg3 1 0.58621500 0.74529700 0.75148200 1.0
Mg Mg4 1 0.41378500 0.25470300 0.24851800 1.0
Mg Mg5 1 0.74529700 0.58621500 0.25148200 1.0
