Ce2Mg
Traditional Materials TRAMP-ID: mp-1039605 · Space group: C2/c (#15)
Basic Information
Formula
Ce2Mg
MP-ID
mp-1039605
Elements
2
Sites
6
Density
6.0764
g/cm³
Volume
166.45
ų
Cell a
5.7400
Å
Cell b
5.7400
Å
Cell c
6.6739
Å
α Angle
61.97
°
β Angle
61.97
°
γ Angle
66.07
°
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 |
|---|---|---|---|
| 18.02 | 4.9222 | 40.1 | (1,0,0) |
| 19.56 | 4.5380 | 66.7 | (1,0,1) |
| 22.31 | 3.9849 | 11.0 | (1,1,0) |
| 27.06 | 3.2948 | 2.4 | (1,1,2) |
| 28.14 | 3.1708 | 3.6 | (1,0,-1) |
| 31.15 | 2.8710 | 31.7 | (1,0,2) |
| 31.45 | 2.8443 | 50.2 | (2,1,1) |
| 32.40 | 2.7635 | 43.6 | (0,0,2) |
| 32.89 | 2.7231 | 100.0 | (1,-1,1) |
| 34.20 | 2.6219 | 31.2 | (2,1,2) |
| 36.75 | 2.4454 | 38.5 | (2,1,0) |
| 38.10 | 2.3620 | 21.7 | (2,2,2) |
| 43.67 | 2.0726 | 9.9 | (2,1,3) |
| 44.91 | 2.0182 | 3.9 | (2,-1,0) |
| 45.22 | 2.0051 | 9.9 | (2,0,-1) |
| 45.53 | 1.9925 | 6.2 | (2,2,0) |
| 45.61 | 1.9889 | 7.4 | (2,-1,1) |
| 46.25 | 1.9629 | 13.2 | (1,0,3) |
| 47.81 | 1.9024 | 18.2 | (2,1,-1) |
| 48.60 | 1.8733 | 16.6 | (3,1,1) |
| 49.56 | 1.8394 | 1.7 | (3,2,2) |
| 49.57 | 1.8389 | 6.8 | (1,1,-2) |
| 50.58 | 1.8047 | 4.6 | (2,0,3) |
| 52.19 | 1.7526 | 7.4 | (2,-1,2) |
Energy Properties
Formation Energy/atom
0.02802
eV/atom
Energy/atom
-21.92217
eV/atom
Energy above Hull
0.0523
eV/atom
Uncorrected Energy
-4.4491
eV/atom
Volume/atom
27.74
ų
c/a Ratio
1.1627
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.6059
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.021660
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 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
0.668
Family
Binary Alloy
Matrix Element
Ce · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1039605
Reference Citation
The crystal structure and related material properties of Ce2Mg were obtained from the Materials Project database (MP-ID: mp-1039605, 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_Ce2Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73995537
_cell_length_b 5.73995537
_cell_length_c 6.67392989
_cell_angle_alpha 61.97164261
_cell_angle_beta 61.97164261
_cell_angle_gamma 66.07249470
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce2Mg
_chemical_formula_sum 'Ce4 Mg2'
_cell_volume 166.44586890
_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 0.21779088 0.46684436 0.78946661 1.0
Ce Ce1 1 0.53315564 0.78220912 0.71053339 1.0
Ce Ce2 1 0.46684436 0.21779088 0.28946661 1.0
Ce Ce3 1 0.78220912 0.53315564 0.21053339 1.0
Mg Mg4 1 0.12181614 0.87818386 0.25000000 1.0
Mg Mg5 1 0.87818386 0.12181614 0.75000000 1.0
